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Bayesian Modeling and Classification of Neural Signals Michael S. Lewicki Computation and Neural Systems Program California Institute of Technology 216-76 Pasadena, CA 91125 lewickiOcns.caltech.edu Abstract Signal processing and classification algorithms often have limited applicability resulting from an inaccurate model of the signal's underlying structure. We present here an efficient, Bayesian algorithm for modeling a signal composed of the superposition of brief, Poisson-distributed functions. This methodology is applied to the specific problem of modeling and classifying extracellular neural waveforms which are composed of a superposition of an unknown number of action potentials CAPs). Previous approaches have had limited success due largely to the problems of determining the spike shapes, deciding how many are shapes distinct, and decomposing overlapping APs. A Bayesian solution to each of these problems is obtained by inferring a probabilistic model of the waveform. This approach quantifies the uncertainty of the form and number of the inferred AP shapes and is used to obtain an efficient method for decomposing complex overlaps. This algorithm can extract many times more information than previous methods and facilitates the extracellular investigation of neuronal classes and of interactions within neuronal circuits. 590 Bayesian Modeling and Classification of Neural Signals 1 INTRODUCTION Extracellular electrodes typically record the activity of several neurons in the vicinity of the electrode tip (figure 1). Most electrophysiological data is collected by isolating action potentials (APs) from a single neuron by using a level detector or window discriminator. Methods for extracting APs from multiple neurons can, in addition to the obvious advantage of providing more data, provide the means to investigate local neuronal interactions and response properties of neuronal populations. Determining from the voltage waveform what cell fired when is a difficult, ill-posed problem which is compounded by the fact that cells frequently fire simultaneously resulting in large variations in the observed shapes. There are three major difficulties in identifying and classifying action potentials (APs) in a neuron waveform. The first is determining the AP shapes, the second is deciding the number of distinct shapes, and the third is decomposing overlapping spikes into their component parts. In general, these problems cannot be solved independently, since the solution of one will affect the solution of the others. 2: rn_Cl. Figure 1: Each neuron generates a stereotyped action potential (AP) which is observed through the electrode as a voltage fluctuation. This shape is primarily a function of the position of a neuron relative to the tip. The extracellular waveform shows several different APs generated by an unknown number of neurons. Note the frequent presence of overlapping APs which can completely obscure individual spikes. The approach summarized here is to model the waveform directly to obtain a probabilistic description of each action potential and, in turn, of the whole waveform. This method allows us to compute the class conditional probabilities of each AP. In addition, it is possible to quantify the certainty of both the form and number of spike shapes. Finally, we can use this description to decompose overlapping APs efficiently and assign probabilities to alternative spike sequences. 2 MODELING SINGLE ACTION POTENTIALS The data from the event observed (at time zero) is modeled as resulting from a fixed underlying spike function, s(t), plus noise: (1) 591 592 Lewicki where v is the parameter vector that defines the spike function. The noise, modeled as Gaussian with zero mean and standard deviation u1]' 1], is From the Bayesian perspective, the task is to infer the posterior distribution of the spike function parameters (assuming, for the moment, that u1] and Uw are known): P( ID v 'O"1]'O"w, M) - P(Dlv, 0"'1' M) P(vluw, M) P(DIO"1],O"w,M) . (2) The two terms specifying the posterior distribution of v are 1) the probability of the data given the model: (3) and 2) the prior assumptions of the structure of s(t) which are assumed to be of the form: (4) The superscript (m) denotes differentiation which for these demonstrations we assumed to be m = 1 corresponding to linear splines. The smoothness of s(t) is controlled through Uw with small values of Uw penalizing large fluctuations. The final step in determining the posterior distribution is to eliminate the dependence of P(vID, 0"1]' O"w, M) on 0"1] and O"w. Here, we use the approximation: (5) The most probable values of 0"1] and O"w were obtained using the methods of MacKay (1992) in which reestimation formulas are obtained from a Gaussian approximation of the posterior distribution for 0"1] and O"w, P(O"1] , O"wID, M). Correct inference of O"w prevents the spike function from overfitting the data. 3 MODELING MULTIPLE ACTION POTENTIALS When a waveform contains multiple types of APs, determining the component spike shapes is more difficult because the classes are not known a priori. The uncertainty of which class an event belongs to can be incorporated with a mixture distribution. The probability of a particular event, D n , given all spike models, M 1 : K , is K P(Dnlvl:K' 1r, 0"1]' M 1 : K) = L 1I"k P (D nlvk, 0"'1' Mk), (6) k=l where 1I"k is the a priori probability that a spike will be an instance of M k , and E 1I"k = l. As before, the objective is to determine the posterior distribution for the parameters defining a set of spike models, P(V 1 :K, 1rID 1 :N , 0"1]1 trw, M 1 : K) which is obtained again using Bayes' rule. Bayesian Modeling and Classification of Neural Signals Finding the conditions satisfied at a posterior maximum leads to the equation: (7) where 'Tn is the inferred occurrence time (typically to sub-sample period accuracy) of the event Dn. This equation is solved iteratively to obtain the most probable values of V l : K ? Note that the error for each event, D n , is weighted by P(Mk IOn, Vk, 1r, 0''7) which is the probability that the event is an instance of the kth spike model. This is a soft clustering procedure, since the events are not explicitly assigned to particular classes. Maximizing the posterior yields accurate estimates of the spike functions even when the clusters are highly overlapping. The techniques described in the previous section are used to determine the most probable values for 0''7 and rTw and, in turn, the most probable values of V l : K and 1r. 4 DETERMINING THE NUMBER OF SPIKE SHAPES Choosing a set of spike models that best fit the data, would result eventually in a model for each event in the waveform. Heuristics might indicate whether two spike models are identical or distinct, but ad hoc criteria are notoriously dependent on particular circumstances, and it is difficult to state precisely what information the rules take into account. To determine the most probable number of spike models, we apply probability theory. {MHJ} denote a set of spike models and H denote information known Let Sj a priori. The probability of Sj, conditioned only on H and the data, is obtained using Bayes' rule: = (8) The only data-dependent term is P(OI:NISj, H) which is the evidence for Sj (MacKay, 1992). With the assumption that all hypotheses SI :3 are equally probable a priori, P(D l : NISj, H) ranks alternative spike sets in terms of their probability. The evidence term P(OI :N[Sj, H) is convenient because it is the normalizing constant for the posterior distribution of the parameters defining the spike set. Although calculation of P(O I :N ISj ,H) is analytically intractable, it is often wellapproximated with a Gaussian integral which was the approximation used for these demonstrations. A convenient way of collapsing the spike set is to compare spike models pairwise. Two models in the spike set are selected along with a sampled set of events fit by each model. We then evaluate P(DISl) and P(D[S2)' S1 is the hypothesis that the data is modeled by a single spike shape, S2 says there are two spike shapes. If P(D[S1) > P(D[S2), we replace both models in S2 by the one in S1. The procedure terminates when no more pairs can be combined to increase the evidence. 593 594 Lewicki 5 DECOMPOSING OVERLAPPING SPIKES Overlaps must be decomposed into their component spikes for accurate inference of the spike functions and accurate classification of the events. Determining the best-fitting decomposition is difficult becaus(~ of the enormous number of possible spike sequences, not only all possible model combinations for each event but also all possible event times. A brute-force approach to this problem is to perform an exhaustive search of the space of overlapping spike functions and event times to find the sequence with maximum probability. This approach was used by Atiya (1992) in the case of two overlapping spikes with the times optimized to one sample period. Unfortunately, this is often computationally too demanding even for off-line analysis. We make this search efficient utilizing dynamic programming and k-dimensional trees (Friedman et al., 1977). Once the best-fitting decomposition can be obtained, however, it may not be optimal, since adding more spike shapes can overfit the data. This problem is minimized by evaluating the probability for alternative decompositions to determine the most probable spike sequence (figure 2) . a ..,,' . b' c Figure 2: Many spike function sequences can account for the same region of data. The thick lines show the data, thin lines show individual spike functions. In this case, the bestfitting overlap solution is not the most probable: the sequence with 4 spike functions is more than 8 time& more probable than the other solutions, even though these have smaller mean squared error. Using the best-fitting overlap solution may increase the classification error. Classification error is minimized by using t he overlap solution that is most probable. 6 PERFORMANCE The algorithm was tested on 40 seconds of neurophysiological data. The task is to determine the form and number of spike ~hapes in a waveform and to infer the occurrence times of each spike shape. The output of the algorithm is shown in figure 3. The uniformity of the residual error indicates that the six inferred spike shapes account for the entire 40 seconds of data. The spike functions M2 and M3 appear similar by eye, but the probabilities calculated with the methods in section 4 indicate that the two functions are significantly different. When plotted against each Bayesian Modeling and Classification of Neural Signals ~~-- --r----r_--_r----r_--~ "Xl +----IHf----+-----+---+----j .. .,:. . ... .~ . . ...? ;: ~ . ,." . , '" \"f' y ,...-.:.' ... . ''. v~? ? '., '. ~;: ?m+----+~~-+_---+---+----1 T.... (...l Tlme(rTS) '(Xl +_---iIIIr---+_-- '~l,~ " J~ -+---+---_j ~'~~'k'!.. . .m -bI .:.(, ", . \.~.<" +_---+--'W', -.+_----+---~---_j . !~>,"1:~.~iJ;o:~~??? >'. ;;,:; ?"t',,' '",:.',1' ;~ \' .?~. ..::\t" ,~ ;-?. i .. '::"~a\f ~":''';' lf'. . ""+_---+---+----;----+-------1 ;";':.. ~:~";':-~. . "" l:..,E:? .. .. . ~~~ :.:. , ;. :: .??.. .,,,,, + _ - - - ; - - - - + - - - - - + - - - - - t - - . - ,~; ,'; :;'~::~ ';R~:' ......~:._:.,l.., :., . .',~.?"..".: :-. ! " .~. ', : , .... i ';', . ??:.h'i II" ... .' ', ." .' , , :-t'r.i"~'~. , .~ c. ':""". ',..,.. . r"~?..? ' "-".'.,'. :. Tme,,,..) TlrTl {rT15} M5 "Xl +----+---+--- -+----+-----j ,(Xl +_.':~ ' ? --+----I----4---.-+------l ,.,~~.:.~~ ~.,,:< .,'::;' ,",,~.: ,"". . ., r-' .... .' .-:.'"' ? L'tI"...'IJ ... ' , -~, ?m ?? . .:-:;,\'., ,'. ,:,;\ ... ~: :'~:: ". d' ., ;......:, .~;.:~. + _ - - - + - - - + - - - - - + - - - +- - - _ j ."" ' 300 \.. -\. " '~'...,.,' ~ ' 4~ '" . 'Ii", ~:",'~ ' , ...?. ;/;~~~:...: ''':~; . .. <,.h/., 6-'... ,..~{:~:..r.J,G:, .,".' " ,:,:" "" ":' ,:" .-:'''i.-. c . : ? :'.:r:-':""-':." .. ', "". '.'\ ...+-----l +-----+-~~_+__---+-- ., TIIT.'mI) Figure 3: The solid lines are the inferred spike models. The data overlying each model is a sample of at most 40 events with overlapping spikes subtracted out. The residual errors are plotted below each model. This spike set was obtained after three iterations of the algorithm, decomposing overlaps and determining the most probable number of spike functions after each iteration. The whole inference procedure used 3 minutes of CPU time on a Sparc IPX. Once the spike set is infe! red, classification of the same 40 second waveform takes about 10 seconds. 595 596 Lewicki other, the two populations of APs are distinctly separated in the region around the peak with M3 being wider than M 2 ? The accuracy of the algorithm was tested by generating an artificial data set composed of the six inferred shapes shown in figure 3. The event times were Poisson distributed with frequency equal the inferred firing rate of the real data set. Gaussian noise was then added with standard deviation equal to 0"'1. The classification results are summarized in the tables below. Table 1: Results of the spike model inference algorithm on the synthesized data set. I Model /I I b.max/O"fJ II 1 0.44 I 2 I 3 I 4 I 5 I 6 II I 0.36 I 1.07 I 0.78 I 0.84 I 0.40 II The number of spike models was correctly determined by the algorithm with the six-model spike set was preferred over the most probable five-model spike set byexp(34) : 1 and over the most probable seven-model spike set by exp(19) : 1. The inferred shapes were accurate to within a maximum error of 1.0717'1. The row elements show the maximum absolute difference, normalized by 17'1' between each true spike function and the corresponding inferred function. Table 2: Classification results for the synthesized data set (non-overlapping events). True Models 1 2 3 4 5 6 1 17 0 0 0 0 0 Inferred Models 2 3 4 5 0 0 0 0 25 0 0 1 0 15 0 0 0 0 116 0 0 56 0 0 0 0 0 0 6 0 0 0 0 0 393 Missed Events 0 0 0 1 17 254 Total Events 17 26 15 117 73 647 Table 3: Classification results for the synthesized data set (overlapping events). True Models 1 2 3 4 5 6 1 22 0 0 0 0 0 Inferred Models 2 4 5 3 0 0 0 0 36 1 0 0 0 0 0 20 0 1 0 116 0 1 61 0 2 0 0 3 6 0 0 0 1 1 243 Missed Events 0 0 0 3 19 160 Total Events 22 37 20 121 82 408 Tables 2 and 3: Each matrix component indicates the number of times true model i was classified as inferred model j. Events were missed if the true spikes were not detected in an overlap sequence or if all sample values for the spike fell below the event detection threshold (417'1). There was 1 false positive for Ms and 7 for M 6 ? Bayesian Modeling and Classification of Neural Signals 7 DISCUSSION Formulating the task as having to infer a probabilistic model made clear what was necessary to obtain accurate spike models. The soft clustering procedure accurately determines the spike shapes even when the true underlying shapes are similar. Unless the spike shapes are well-separated, commonly used hard clustering procedures will lead to inaccurate estimates. Probability theory also allowed for an objective means of determining the number of spike models which is an essential reason for the success of this algorithm. With the wrong number of spike models overlap decomposition becomes especially difficult . The evidence has proved to be a sensitive indicator of when two classes are distinct . Probability theory is also essential to accurate overlap decomposition. Simply fitting data with compositions of spike models leads to the same overfitting problem encountered in determining the number of spike models and in determining the spike shapes. Previous approaches have been able to handle only a limited class of overlaps, mainly due to the difficultly in making the fit efficient. The algorithm used here can fit an overlap sequence of virtually arbitrary complexity in milliseconds. In practice, the algorithm extracts many times more information from a neural waveform than previous methods. Moreover, this information is qualitatively different from a simple list of spike times. Having reliable estimates of the action potential shapes makes it possible to study the properties of these classes, since distinct neuronal types can have distinct neuronal spikes. Finally, accurate overlap decomposition makes it possible to investigate interactions among local neurons which were previously very difficult to observe. Acknowledgements I thank David MacKay for helpful discussions and Jamie Mazer for many conversations and extensive help with the development of the software. This work was supported by Caltech fellowships and an NIH Research Training Grant. References A.F. Atiya. (1992) Recognition of multiunit neural signals. IEEE Transactions on Biomedical Engineering 39(7):723-729. J .H. Friedman, J.L. Bently, and R.A. Finkel. (1977) An algorithm for finding best matches in logarithmic expected time. ACM Trans. Math. Software 3(3):209-226. D. J. C. MacKay. (1992) Bayesian interpolation. Neural Computation 4(3):415-445. 597
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A Learning Analog Neural Network Chip with Continuous-Time Recurrent Dynamics Gert Cauwenberghs* California Institute of Technology Department of Electrical Engineering 128-95 Caltech, Pasadena, CA 91125 E-mail: gertalcco. cal tech. edu Abstract We present experimental results on supervised learning of dynamical features in an analog VLSI neural network chip. The recurrent network, containing six continuous-time analog neurons and 42 free parameters (connection strengths and thresholds), is trained to generate time-varying outputs approximating given periodic signals presented to the network. The chip implements a stochastic perturbative algorithm, which observes the error gradient along random directions in the parameter space for error-descent learning. In addition to the integrated learning functions and the generation of pseudo-random perturbations, the chip provides for teacher forcing and long-term storage of the volatile parameters. The network learns a 1 kHz circular trajectory in 100 sec. The chip occupies 2mm x 2mm in a 2JLm CMOS process, and dissipates 1.2 mW. 1 Introduction Exact gradient-descent algorithms for supervised learning in dynamic recurrent networks [1-3] are fairly complex and do not provide for a scalable implementation in a standard 2-D VLSI process. We have implemented a fairly simple and scalable ?Present address: Johns Hopkins University, ECE Dept., Baltimore MD 21218-2686. 858 A Learning Analog Neural Network Chip with Continuous-Time Recurrent Dynamics learning architecture in an analog VLSI recurrent network, based on a stochastic perturbative algorithm which avoids calculation of the gradient based on an explicit model of the network, but instead probes the dependence of the network error on the parameters directly [4]. As a demonstration of principle, we have trained a small network, integrated with the learning circuitry on a CMOS chip, to generate outputs following a prescribed periodic trajectory. The chip can be extended, with minor modifications to the internal structure of the cells, to accommodate applications with larger size recurrent networks. 2 System Architecture The network contains six fully interconnected recurrent neurons with continuoustime dynamics, d 6 (1) T dtXi = -Xi + W ij U(Xj - (Jj) + Yi , L j=l with Xi(t) the neuron states representing the outputs of the network, Yi(t) the external inputs to the network, and u(.) a sigmoidal activation function. The 36 connection strengths W ij and 6 thresholds (Jj constitute the free parameters to be learned, and the time constant T is kept fixed and identical for all neurons. Below, the parameters Wij and (Jj are denoted as components of a single vector p. The network is trained with target output signals x[(t) and xf(t) for the first two neuron outputs. Learning consists of minimizing the time-averaged error ?(p) 1 = lim 2T T-+oo jT L Ixf(t) - Xk(t)IVdt 2 , (2) -T k=l using a distance metric with norm v. The learning algorithm [4] iteratively specifies incremental updates in the parameter vector p as p(k+l) = p(k) _ J1, t(k) 7r(k) (3) with the perturbed error t(k) = ~ (?(p(k) + 7r(k?) _ ?(p(k) _ 7r(k?)) (4) obtained from a two-sided parallel activation of fixed-amplitude random perturbations '1ri(k) onto the parameters p/k); '1ri(k) = ?u with equal probabilities for both polarities. The algorithm basically performs random-direction descent of the error as a multi-dimensional extension to the Kiefer-Wolfowitz stochastic approximation method [5], and several related variants have recently been proposed for optimization [6,7] and hardware learning [8-10]. To facilitate learning, a teacher forcing signal is initially applied to the external input y according to (5) Yi(t) = .x ,(xi(t) - Xi(t)) , i = 1,2 providing a feedback mechanism that forces the network outputs towards the targets [3]. A symmetrical and monotonically increasing "squashing" function for ,(.) serves this purpose. The teacher forcing amplitude .x needs to be attenuated along the learning process, as to suppress the bias in the network outputs at convergence that might result from residual errors. 859 860 Cauwenberghs 3 Analog VLSI Implementation The network and learning circuitry are implemented on a single analog CMOS chip, which uses a transconductance current-mode approach for continuous-time operation. Through dedicated transconductance circuitry, a wide linear dynamic range for the voltages is achieved at relatively low levels of power dissipation (experimentally 1.2 m W while either learning or refreshing). While most learning functions, including generation of the pseudo-random perturbations, are integrated on-chip in conjunction with the network, some global and higher-level learning functions of low dimensionality, such as the evaluation of the error (2) and construction of the perturbed error (4), are performed outside the chip for greater flexibility in tailoring the learning process. The structure and functionality of the implemented circuitry are illustrated in Figures 1 to 3, and a more detailed description follows below. 3.1 Network Circuitry Figure 1 shows the schematics of the synapse and neuron circuitry. A synapse cell of single polarity is shown in Figure 1 (a). A high output impedance triode multiplier, using an adjustable regulated casco de [11], provides a constant current Iij linear in the voltage Wij over a wide range. The synaptic current Iij feeds into a differential pair, injecting a differential current hj a(xj - OJ) into the diode-connected Id:.t and I;;"t output lines. The double-stack transistor configuration of the differential pair offers an expanded linear sigmoid range. The summed output currents Itut and I;;;"t of a row of synapses are collected in the output cell, Figure 1 (b), which also subtracts the reference currents I;"c and I;;c obtained from a reference rOw of "dummy" synapses defining the "zero-point" synaptic strength Wolf for bipolar operation. The thus established current corresponds to the summed synaptic contributions in (1). Wherever appropriate (i = 1,2), a differential transconductance element with inputs Xi and xT is added to supply an external input current for forced teacher action in accordance with (5). I~U~ ~ 1",,/ Xi f-Vc (a) (b) Figure 1 Schematics of synapse and neuron circuitry. (a) Synapse of single polarity. (b) Output cell with current-to-voltage converter. The output current is converted to the neuron output voltage Xi, through an active resistive element using the same regulated high output impedance triode circuitry as used in the synaptic current source. The feedback delay parameter T in (1) corresponds to the RC A Learning Analog Neural Network Chip with Continuous-Time Recurrent Dynamics product of the regulated triode active resistance value and the capacitance Gout. With = 5 pF, the delay ranges between 20 and 200jLsec, adjustable by the control voltage of the regulated cascode. Figure 2 shows the measured static characteristics of the synapse and neuron functions for different values of Wij and ()j ( i = j = 1), obtained by disabling the neuron feedback and driving the synapse inputs externally. Gout ~ '- ~ 0.0 ~ .- -0.2 ~ CII CII ....~ 0 ;> ....~ .& <5 -0.4 O.OV -0.6 - 0.8V ....~ 0 ;> .... ~ <5 -0.8 -1.0 -0.5 0.0 Input Voltage x j 0.5 -1.0 1.0 -0.5 0.0 Input Voltage x j (V) 0.5 1.0 (V) (b) (a) Figure 2 Measured static synapse and neuron characteristics, for various values of (a) the connection strength Wij, and (b) the threshold ()j. 3.2 Learning Circuitry Figure 3 (a) shows the simplified schematics of the learning and storage circuitry, replicated locally for every parameter (connection strength or threshold) in the network. Most of the variables relating to the operation of the cells are local, with exception of a few global signals communicating to all cells. Global signals include the sign and the amplitude of the perturbed error t and predefined control signals. The stored parameter and its binary perturbation are strictly local to the cell, in that they do not need to communicate explicitly to outside circuitry (except trivially through the neural network it drives), which simplifies the structural organization and interconnection of the learning cells. The parameter voltage Pi is stored on the capacitor Gstore, which furthermore couples to capacitor G pert for activation of the perturbation. The perturbation bit 7ri selects either of two complementary signals V+<T and V-<T with corresponding polarity. With the specific shape of the waveforms V+<T and V-<T depicted in Figure 3 (b), the proper sequence of perturbation activations is established for observation of the complementary error terms in (4). The obtained global value for is then used, in conjunction with the local perturbation bit 7ri, to update the parameter value Pi according to (3). A fineresolution charge-pump, shown in the dashed-line inset of Figure 3 (a), is used for this purpose. The charge pump dumps either of a positive or negative update current, of equal amplitude, onto the storage capacitor whenever it is activated by means of an EN_UPD high pulse, effecting either of a given increment or decrement on the parameter value Pi respectively. The update currents are supplied by two complementary transistors, and are switched by driving the source voltages of the transistors rather than their gate voltages in order to avoid typical clock feed-through effects. The amplitude of the incremental update, set proportionally to Itl, is controlled by the VUPD nand VUPD p gate voltage levels, operated in the sub-threshold region. The polarity of the increment or decrement action is determined by the control signal DECR/INCR, obtained from the polarities of t 861 862 Cauwenberghs the perturbed error t and the perturbation bit 11"; through an exclusive-or operation. The learning cycle is completed by activating the update by a high pulse on EN_UPD. The next learning cycle then starts with a new random bit value for the perturbation 11";. I 1t; - I ii X X E>O El'CUPD v+o v-(J : : I I II I II I I I -"1t -2+ --1_ :: rL I I I I TI I III T I I I_ I;;/" I E(p) E(p + It) E(p - It) (a) (b) Figure 3 Learning cell circuitry. (a) Simplified schematics. (b) Waveform and timing diagram. The random bit stream 1I";(k) is generated on-chip by means of a set of linear feedback shift registers [12]. For optimal performance, the perturbations need to satisfy certain statistical orthogonality conditions, and a rigorous but elaborate method to generate a set of uncorrelated bit streams in VLSI has been derived [13]. To preserve the scalability of the learning architecture and the local nature of the perturbations, we have chosen a simplified scheme which does not affect the learning performance to first order, as verified experimentally. The array of perturbation bits, configured in a two-dimensional arrangement as prompted by the location of the parameters in the network, is constructed by an outer-product exclusive-or operation from two generating linear sets of uncorrelated row and column bits on lines running horizontally and vertically across the network array. In the present implementation the evaluation of the error functional (2) is performed externally with discrete analog components, leaving some flexibility to experiment with different formulations of error functionals that otherwise would have been hardwired. A mean absolute difference (/I = 1) norm is used for the metric distance, and the timeaveraging of the error is achieved by a fourth-order Butterworth low-pass filter. The cut-off frequency is tuned to accommodate an AC ripple smaller than 0.1 %, giving rise to a filter settling time extending 20 periods of the training signal. 3.3 Long-Term Volatile Storage After learning, it is desirable to retain ("freeze") the learned information, in principle for an infinite period of time. The volatile storage of the parameter values on capacitors undergoes a spontaneous decay due to junction leakage and other drift phenomena, and needs to be refreshed periodically. For eight effective bits of resolution, a refresh rate of 10 Hz is sufficient. Incidentally, the charge pump used for the learning updates provides for refresh of the parameter values as well. To that purpose, probing and multiplexing circuitry (not shown) are added to the learning cell of Figure 3 (a) for sequential refresh. In the experiment conducted here, the parameters are stored externally and refreshed sequentially by activating the corresponding charge pump with a DECR/INCR bit defined by the polarity of the observed deviation between internally probed and externally stored A Learning Analog Neural Network Chip with Continuous-Time Recurrent Dynamics values. The parameter refresh is performed in the background with a 100 msec cycle, and does not interfere with the continuous-time network operation. A simple internal analog storage method obliterating the need of external storage is described in [14], and is supported by the chip architecture. 4 Learning Experiment As a proof of principle, the network is trained with a circular target trajectory defined by the quadrature-phase oscillator xi (t) { xr(t) A cos (27rft) A sin (27rft) (6) with A = o.SV and f = 1kHz. In principle a recurrent network of two neurons suffices to generate quadrature-phase oscillations, and the extra neurons in the network serve to accommodate the particular amplitUde and frequency requirements and assist in reducing the nonlinear harmonic distortion. Clearly the initial conditions for the parameter values distinguish a trivial learning problem from a hard one, and training an arbitrarily initialized network may lead to unpredictable results of poor generality. Incidentally, we found that the majority of randomly initialized learning sessions fail to generate oscillatory behavior at convergence, the network being trapped in a local minimum defined by a strong point attractor. Even with strong teacher forcing these local minima persist. In contrast, we obtained consistent and satisfactory results with the following initialization of network parameters: strong positive diagonal connection strengths W ii = 1, zero off-diagonal terms W ij = 0 ; i f. j and zero thresholds (}i = O. The positive diagonal connections Wii repel the neuron outputs from the point attractor at the origin, counteracting the spontaneous decay term -Xi in (1). Applying non-zero initial values for the cross connections Wij ; i f. j would introduce a bias in the dynamics due to coupling between neurons. With zero initial cross coupling, and under strong initial teacher forcing, fairly fast and robust learning is achieved. Figure 4 shows recorded error sequences under training of the network with the target oscillator (6), for five different sessions of 1, 500 learning iterations each starting from the above initial conditions. The learning iterations span 60 msec each, for a total of 100 sec per session. The teacher forcing amplitude .A is set initially to 3 V, and thereafter decays logarithmically over one order of magnitude towards the end of the sessions. Fixed values of the learning rate and the perturbation amplitude are used throughout the sessions, with J.L = 25.6 V-I and (J' = 12.5 mV. All five sessions show a rapid initial decrease in the error under stimulus of the strong teacher forcing, and thereafter undergo a region of persistent flat error slowly tapering off towards convergence as the teacher forcing is gradually released. Notice that this flat region does not imply slow learning; instead the learning constantly removes error as additional error is adiabatically injected by the relaxation of the teacher forcing. 863 864 Cau wenberghs 3.0 25 ~ ...0 (J = 12.5 mV 2.0 t: ~ ::I 0... -1 Jl =25.6 V 8 15 1.0 05 0.0 0 20 40 60 80 100 Time (sec) Figure 4 Recorded evolution of the error during learning, for five different sessions on the network. Near convergence, the bias in the network error due to the residual teacher forcing becomes negligible. Figure 5 shows the network outputs and target signals at convergence, with the learning halted and the parameter refresh activated, illustrating the minor effect of the residual teacher forcing signal on the network dynamics. The oscillogram of Figure 5 (a) is obtained under a weak teacher forcing signal, and that of Figure 5 (b) is obtained with the same network parameters but with the teacher forcing signal disabled. In both cases the oscilloscope is triggered on the network output signals. Obviously, in absence of teacher forcing the network does no longer run synchronously with the target signal. However, the discrepancy in frequency, amplitude and shape between either of the free-running and forced oscillatory output waveforms and the target signal waveforms is evidently small. (a) (b) Figure 5 Oscillograms of the network outputs and target signals after learning, (a) under weak teacher forcing, and (b) with teacher forcing disabled. Top traces: Xl(t) and Xl T(t). Bottom traces: X2(t) and X2 T (t). A Learning Analog Neural Network Chip with Continuous-Time Recurrent Dynamics 5 Conclusion We implemented a small-size learning recurrent neural network in an analog VLSI chip, and verified its learning performance in a continuous-time setting with a simple dynamic test (learning of a quadrature-phase oscillator). By virtue of its scalable architecture, with constant requirements on interconnectivity and limited global communication, the network structure with embedded learning functions can be freely expanded in a two-dimensional arrangement to accommodate applications of recurrent dynamical networks requiring larger dimensionality. A present limitation of the implemented learning model is the requirement of periodicity on the input and target signals during the learning process, which is needed to allow a repetitive and consistent evaluation of the network error for the parameter updates. Acknowledgments Fabrication of the CMOS chip was provided through the DARPA/NSF MOSIS service. Financial support by the NIPS Foundation largely covered the expenses of attending the conference. References [1] B.A. Pearlmutter, "Learning State Space Trajectories in Recurrent Neural Networks," Neural Computation, vol. 1 (2), pp 263-269, 1989. [2] RJ. Williams and D. Zipser, "A Learning Algorithm for Continually Running Fully Recurrent Neural Networks," Neural Computation, vol. 1 (2), pp 270-280, 1989. [3] N .B. Toomarian, and J. Barhen, "Learning a Trajectory using Adjoint Functions and Teacher Forcing," Neural Networks, vol. 5 (3), pp 473-484, 1992. [4] G. Cauwenberghs, "A Fast Stochastic Error-Descent Algorithm for Supervised Learning and Optimization," in Advances in Neural Information Processing Systems, San Mateo, CA: Morgan Kaufman, vol. 5, pp 244-251, 1993. [5] H.J. Kushner, and D.S. Clark, "Stochastic Approximation Methods for Constrained and Unconstrained Systems," New York, NY: Springer-Verlag, 1978. [6] M.A. Styblinski, and T.-S. Tang, "Experiments in Nonconvex Optimization: Stochastic Approximation with Function Smoothing and Simulated Annealing," Neural Networks, vol. 3 (4), pp 467-483, 1990. [7] J.C. Spall, "Multivariate Stochastic Approximation Using a Simultaneous Perturbation Gradient Approximation," IEEE Trans . Automatic Control, vol. 37 (3), pp 332-341, 1992. [8] J. Alspector, R. Meir, B. Yuhas, and A. Jayakumar, "A Parallel Gradient Descent Method for Learning in Analog VLSI Neural Networks," in Advances in Neural Information Processing Systems, San Mateo, CA: Morgan Kaufman, vol. 5, pp 836-844, 1993. [9] B. Flower and M. Jabri, "Summed Weight Neuron Perturbation: An O(n) Improvement over Weight Perturbation," in Advances in Neural Information Processing Systems, San Mateo, CA: Morgan Kaufman, vol. 5, pp 212-219, 1993. [10] D. Kirk, D. Kerns, K. Fleischer, and A. Barr, "Analog VLSI Implementation of Gradient Descent," in Advances in Neural Information Processing Systems, San Mateo, CA: Morgan Kaufman, vol. 5, pp 789-796, 1993. [11] J.W. Fattaruso, S. Kiriaki, G. Warwar, and M. de Wit, "Self-Calibration Techniques for a Second-Order Multibit Sigma-Delta Modulator," in ISSCC Technical Digest, IEEE Press, vol. 36, pp 228-229, 1993. [12] S.W. Golomb, "Shift Register Sequences," San Francisco, CA: Holden-Day, 1967. [13] J. Alspector, J.W. Gannett, S. Haber, M.B. Parker, and R. Chu, "A VLSI-Efficient Technique for Generating Multiple Uncorrelated Noise Sources and Its Application to Stochastic Neural Networks," IEEE T. Circuits and Systems, 38 (1), pp 109-123, 1991. [14] G. Cauwenberghs, and A. Yariv, "Method and Apparatus for Long-Term Multi-Valued Storage in Dynamic Analog Memory," U.s. Patent pending, filed 1993. 865
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Address Block Location with a Neural Net System Eric Cosatto Hans Peter Graf AT&T Bell Laboratories Crawfords Corner Road Holmdel, NJ 07733, USA Abstract We developed a system for finding address blocks on mail pieces that can process four images per second. Besides locating the address block, our system also determines the writing style, handwritten or machine printed, and moreover, it measures the skew angle of the text lines and cleans noisy images. A layout analysis of all the elements present in the image is performed in order to distinguish drawings and dirt from text and to separate text of advertisement from that of the destination address. A speed of more than four images per second is obtained on a modular hardware platform, containing a board with two of the NET32K neural net chips, a SPARC2 processor board, and a board with 2 digital signal processors. The system has been tested with more than 100,000 images. Its performance depends on the quality of the images, and lies between 85% correct location in very noisy images to over 98% in cleaner images. 1 INTRODUCTION The system described here has been integrated into an address reading machine developed for the 'Remote Computer Reader' project of the United States Postal Service. While the actual reading of the text is done by other modules, this system solves one of the major problems, namely, finding reliably the location of the destination address. There are only a few constraints on how and where an address has to be written, hence they may appear in a wide variety of styles and layouts. Often an envelope contains advertising that includes images as well as text. 785 786 Graf and Cosatto Sometimes. dirt covers part of the envelope image. including the destination address. Moreover. the image captured by the camera is thresholded and the reader is given a binary image. This binarization process introduces additional distortions; in particular. often the destination address is surrounded by a heavy texture. The high complexity of the images and their poor quality make it difficult to find the location of the destination address. requiring an analysis of all the elements present in the image. Such an analysis is compute-intensive and in our system it turned out to be the major bottleneck for a fast throughput. In fact. finding the address requires much more computation than reading it. Special-purpose hardware in the form of the NET32K neural net chips (Graf. Henderson. 90) is used to solve the address location problem. Finding address blocks has been the focus of intensive research recently. as several companies are developing address reading machines (United States Postal Service 92). The wide variety of images that have to be handled has led other researchers to apply several different analysis techniques to each image and then try to combine the results at the end. see e.g. (palumbo et a1. 92). In order to achieve the throughput required in an industrial application. special purpose processors for finding connected components and/or for executing Hough transforms have been applied. In our system we use the NET32K processor to extract geometrical features from an image. The high compute power of this chip allows the extraction of a large number of features simultaneously. From this feature representation. an interpretation of the image's content can then be achieved with a standard processor. Compared to an analysis of the original image. the analysis of the feature maps requires several orders of magnitude less computation. Moreover. the feature representation introduces a high level of robustness against noise. This paper gives a brief overview of the hardware platfOlm in section 2 and then describes the algorithms to find the address blocks in section 3. 2 THE HARDWARE The NET32K system has been designed to serve as a high-speed image processing platform. where neural nets as well as conventional algorithms can be executed. Three boards form the whole system. Two NET32K neural net chips are integrated with a sequencer and data formatting circuits on one board. The second board contains two digital signal processors (DSPs). together with 6 Mbytes of memOly. Control of the whole system is provided by a board containing a SPARC2 processor plus 64 Mbytes of memory. A schematic of this system is shown in Figure 1. Image buffering and communication with other modules in the address reader are handled by the board with the SPARC2 processor. When an image is received. it is sent to the DSP board and from there over to the NET32K processor. The feature maps produced by the NET32K processor are stored on the DSP board. while the SPARC2 starts with the analysis of the feature maps. The DSP's main task is formatting of the data. while the NET32K processor extracts all the features. Its speed of computation is more than 100 billion multiply-accumulates per second with operands that have one or two bits of resolution. Images with a size of Sl2xS 12 pixels are processed at a rate of more than 10 frames per second. and 64 convolution kernels. each with a size of 16x 16 pixels. can be scanned simultaneously over the image. Each such kernel IS tuned to detect the presence of a feature. such as a line, an edge or a comer. Address Block Location with a Neural Net System .................................................................................... ! IN~K IN~ i NET32K MODULE r1~?~?~?:?A?T.. ::::.fr=:::::::.~~~::=::::.~~=.=:::.=n:::=:: . . ._._. . . _. . . v. . r ........-....-.-.......-..... : I ! ? I ~ ~ It ~ ~ " "> ~ DSP32C SRAM 1 MEG ~~ ~" " ~r ). ~lt Afr ~U'I ~ DSP32C DRAM 4 MEG ~ .... '1 '1 SRAM 1 MEG l-.. . .- . _. .+. ._. . L.. . ~~~. ~.~.~.~~.,. . -.-... ---.-..-.. ~ . . . . ..l :;:~ ________________________ ~. SPARC VME BUS Figure 1: Schematic of the whole NET32K system. Each of the dashed boxes represents one 6U VME board. The conununication paths. aITOWS show the 3. SEQUENCE OF ALGORITHMS The final result of the address block location system is a box describing a tight bmmd around the destination address, if the address is machine printed. Of handwritten addresses, only the zip code is read, and hence, one has to find a tight boundary around the zip code. This information is then passed along to reader modules of the address reading machine. There is no a priori knowledge about the writing style. Therefore the system first has to discriminate between handwritten and machine Plinted text. At the end of the address block location process, additional algorithms are executed to improve the accuracy of the reader. An overview of the sequence of algorithms used to solve these tasks is shown in Figure 2. The whole process is divided into three major steps: Preprocessing, feature extraction. and high-level analysis based on the feature information. 3.1. Preprocessing To quickly get an idea about the complexity of the image, a coarse evaluation of its layout is done. By sampling the density of the black pixels in various places of the image, one can see already whether the image is clean or noisy and whether the text is lightly printed or is dark. 787 788 Oraf and Cosatto The images are divided into four categories, depending on their darkness and the level of noise. 'This infonnation is used in the subsequent processing to guide the choice of the features. Only about one percent of the pixels are taken into account for this analysis, therefore, it can be executed quickly on the SPARC2 processor. clean. light Preprocessing clean. dark IF. ~ ----. ....-=.... =-.P ~ - ~.= ::~, 16 Feature maps ' ,,' ..... -I'" Extract features NET32K 8 Feature maps Extract text lines Cluster lines into groups - - - Classify groups of lines MACHINE PRINT Analyse group of lines Determine level of noise Clean with NET32K; HANDWRITIEN Cluster text segments into lines Analyse group of lines Segment lines to find ZIP Determine slanVskew angle; Figure 2: Schematic of the sequence of algorithms for finding the position of the address blocks. 3.2. Feature Extraction After the preprocessing, the image is sent to the NET32K board where simple geometrical features, such as edges, corners and lines are extracted. Up to 16 different feature maps are generated, where a pixel in one of the maps indicates the presence of a feature in this location. Some of these feature maps are used by the host processor, for example, to decide whether text is handwritten or machine printed. Other feature maps are combined and sent once more through the NET32K processor in order to search for combinations of features representing more complex features. Typically, the feature maps are thresholded, so that only one bit per pixel is kept. More resolution of the computation results is available from the neural net chips. but in this way the amount of data that has to be analyzed is minimal. and one bit of resolution turned out to be sufficient. Examples of kernels used for the detection of strokes and text lines are shown in Figure 3. In the chip, usually four line detectors of increasing height plus eight stroke detectors of different orientations are stored. Other detectors are tuned to edges and strokes of machine printed text. The line detectors respond to any black line of the proper height. Due to the large width of 16 Address Block Location with a Neural Net System pixels. a kernel stretches over one or even several characters. Hence a text line gives a response similar to that produced by a continuous black line. When the threshold is set properly. a text line in the original image produces a continuous line in the feature map. even across the gaps between characters and across small empty spaces between words. For an interpretation of a line feature map only the left and right end points of each connected component are stored. In this way one obtains a compact representation of the lines' positions that are well suited for the high-level analysis of the layout. Kernel: Line detector ? Image t the NET32K syste IC::GUla Feature Kernel: Stroke detector Feature map Figure 3:Examples of convolution kernels and their results. The kernels' sizes are 16x16 pixels, and their pixels' values are + 1, O. -1 . The upper part illustrates the response of a line detector on a machine printed text line. The lower kernel extracts strokes of a celtain orientation from handwritten text. Handwritten lines are detected by a second technique, because they are more irregular in height and the characters may be spaced apm1 widely. Detectors for strokes, of the type shown in the lower half ofFigw-e 3. are well suited for sensing the presence of handwritten text. The feature maps resulting form handwritten text tend to exhibit blobs of pixels along the text line. By smearing such feature maps in horizontal direction the responses of individual strokes are merged into lines that can then be used in the same way as described for the machine printed lines. Horizontal smearing of text lines. combined with connected component analysis is a well-known 789 790 Graf and Cosatto technique, often applied in layout analysis, to find words and whole lines of text. But when applied to the pixels of an image, such an approach works well only in clean images. As soon as there is noise present, this technique produces ilTegular responses. The key to success in a real world environment is robustness against noise. By extracting features first and then analyzing the feature maps, we drastically reduce the influence of noise. Each of the convolution kernels covers a range of 256 pixels and its response depends on several dozens of pixels inside this area. If pixels in the image are corrupted by noise, this has only a minor effect on the result of the convolution and, hence, the appearance of the feature map. When the analysis is started, it is unknown, whether the address is machine printed or hand written. In order to distinguish between the two writing styles, a simple one-layer classifier looks at the results of four stroke detectors and of four line detectors. It can determine reliably whether text is handwritten or machine printed. Additional useful information that can be extracted easily from the feature maps, is the skew angle of handwritten text. People tend to write with a skew anywhere from -45 degrees to almost +90 degrees. In order to improve the accuracy of a reader, the text is first deskewed. The most time consuming part of this operation is to determine the skew angle of the writing. The stroke detector with the maximum response over a line is a good indicator of the skew angle of the text. We compared this simple technique with several alternatives and found it to be as reliable as the best other algorithm and much faster to compute. 3.3. High-level Analysis The results of the feature extraction process are line segments, each one marked as handwritten or machine printed. Only the left and right end points of such lines are stored. At this point, there may still be line segments in this group that do not correspond to text, but rather to solid black lines or to line drawings. Therefore each line segment is checked, to determine whether the ratio of black and white pixels is that found typically in text. Blocks of lines are identified by clustering the line segments into groups. Then each block is analyzed, to see whether it can represent the destination address. For this purpose such features as the number of lines in the block, its size, position, etc. are used. These features are entered into a classifier that ranks each of the blocks. Certain conditions, such as a size that is too large, or if there are too many text lines in the block, will lead to an attempt to split blocks. If no good result is obtained, clustering is tried again with a changed distance metric, where the horizontal and the vertical distances between lines are weighted differently. If an address is machine printed, the whole address block is passed on to the reader, since not only the zip code, but the whole address, including the city name, the street name and the name of the recipient have to be read. A big problem for the reader present images of poor quality, particularly those with background noise and texture. State-of-the-art readers handle machine printed text reliably if the image quality is good, but they may fail totally if the text is buried in noise. For that reason, an address block is cleaned before sending it to the reader. Feature extraction with the NET32K board is used once more for this task, this time with detectors tuned to find all the strokes of the machine printed text. Applying stroke detectors with the proper width allows a good discrimination between the text and any noise. Even texture that consists of lines can be rejected reliably, if the line thickness of the texture is not the same as that of the text. Address Block Location with a Neural Net System .: . "3"" /"ksiQ \i~.\. Cal! [~ " ', ' ~"S'~e".I ? . ~..~ ~ ===t ,o;;;r;;;a.e;2 . . : . ..... t1r ????ee-5AT'fO??t;~a.????? "'~;Au'j'':f;,:.)i'''\i?bl,..~~???~t ....... "?~?S\;.?\?.cs.",~?A'???"" . -~.W"..-,\e"'..4*!~ _Q33.~2..:- Figure 4: Example of an envelope image at various stages of the processing. Top: The result of the clustering process to find the bounding box of the address. Bottom right: The text lines within the address block are marked. Bottom left: Cuts in the text line with the zip code and below that the result of the reader. (The zip code is actually the second segment sent to the reader; the first one is the string 'USA'). If the address is handwritten, only the zip code is sent to the reader. In order to find the zip code, an analysis of the internal stmcture of the address block has to be done, which starts with finding the true text lines. Handwritten lines are often not straight, may be heavily skewed, and may contain large gaps. Hence simple techniques, such as connected component analysis, do not provide proper results. ClusteJing of the line segments obtained from the feature maps, provides a reliable solution of this problem. Once the lines are found, each one is segmented into words and some of them are selected as candidates for the zip code and are sent to the reader. Figure 4 shows an example of an envelope image as it progresses through the various processing steps. The system has been tested extensively on overall more than 100,000 images. Most of these tests were done in the assembled address reader, but during development of the system, large 791 792 Graf and Cosatto tests were also done with the address location module alone. One of the problems for evaluating the peIformance is the lack of an objective quality measure. When has an address been located correctly? Cutting off a small part of the address may not be detrimental to the final interpretation, while a bounding box that includes some additional text may slow the reader down too much. or it may throw off the interpretation. Therefore, it is not always clear when a bounding box, describing the address' location, is tight enough. Another important factor affecting the accw-acy numbers is, how many candidate blocks one actually considers. For all these reasons, accw-acy numbers given for address block location have to be taken with some caution. The results mentioned here were obtained by judging the images by eye. If images are clean and the address is surrounded by a white space larger than two line heights, the location is found correctly in more than 98% of the cases. Often more than one text block is found and of these the destination address is the first choice in 90% of the images, for a typical layout. If the image is very noisy, which actually happens surprisingly often, a tight bound around the address is found in 85% of the cases. These results were obtained with 5,000 images, chosen from more than 100,000 images to represent as much variety as possible. Of these 5,000 images more than 1,200 have a texture around the address, and often this texture is so dark that a human has difficulties to make out each character. 4. CONCLUSION Most of our algorithms described here consist of two parts: feature extraction implemented with a convolution and interpretation, typically implemented with a small classifier. Surprisingly many algorithms can be cast into such a fOimat. This common framework for algorithms has the advantage of facilitating the implementation, in particular when algorithms are mapped into hardware. Moreover, the feature extraction with large convolution kernels makes the system robust against noise. This robustness is probably the biggest advantage of our approach. Most existing automatic reading systems are very good as long as the images are clean, but they deteriorate rapidly with decreasing image quality. 'The biggest drawback of convolutions is that they require a lot of computation. In fact, without special purpose hardware, convolutions are often too slow. Our system relies on the NET32K new-al net chips to obtain the necessary throughput. The NET32K system is, we believe, at the moment the fastest board system for this type of computation. This speed is obtained by systematically exploiting the fact that only a low resolution of the computation is required. This allows to use analog computation inside the chip and hence much smaller circuits than would be the case in an all-digital circuit. References United States Postal Service, (1992), Proc. Advanced Technology Conf., Vol. 3, Section on address block location: pp. 1221 - 1310. P.W. Palumbo, S.N. Srihari, J. Soh, R. Sridhar, V. Demjanenko, (1992), !'Postal Address Block Location in Real Time", IEEE COMPUTER, Vol. 25n, pp. 34 - 42. H.P. Oraf and D. Henderson, (1990), "A Reconfigurable CMOS Neural Network", Digest IEEE Int. Solid State Circuits Conf. p. 144.
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358 LEARNING REPRESENTATIONS BY RECIRCULATION Geoffrey E. Hinton Computer Science and Psychology Departments, University of Toronto, Toronto M5S lA4, Canada James L. McClelland Psychology and Computer Science Departments, Carnegie-Mellon University, Pittsburgh, PA 15213 ABSTRACT We describe a new learning procedure for networks that contain groups of nonlinear units arranged in a closed loop. The aim of the learning is to discover codes that allow the activity vectors in a "visible" group to be represented by activity vectors in a "hidden" group. One way to test whether a code is an accurate representation is to try to reconstruct the visible vector from the hidden vector. The difference between the original and the reconstructed visible vectors is called the reconstruction error, and the learning procedure aims to minimize this error. The learning procedure has two passes. On the fust pass, the original visible vector is passed around the loop, and on the second pass an average of the original vector and the reconstructed vector is passed around the loop. The learning procedure changes each weight by an amount proportional to the product of the "presynaptic" activity and the difference in the post-synaptic activity on the two passes. This procedure is much simpler to implement than methods like back-propagation. Simulations in simple networks show that it usually converges rapidly on a good set of codes, and analysis shows that in certain restricted cases it performs gradient descent in the squared reconstruction error. INTRODUCTION Supervised gradient-descent learning procedures such as back-propagation 1 have been shown to construct interesting internal representations in "hidden" units that are not part of the input or output of a connectionist network. One criticism of back-propagation is that it requires a teacher to specify the desired output vectors. It is possible to dispense with the teacher in the case of "encoder" networks 2 in which the desired output vector is identical with the input vector (see Fig. 1). The purpose of an encoder network is to learn good "codes" in the intermediate, hidden units. If for, example, there are less hidden units than input units, an encoder network will perform data-compression 3 . It is also possible to introduce other kinds of constraints on the hidden units, so we can view an encoder network as a way of ensuring that the input can be reconstructed from the activity in the hidden units whilst also making nus research was supported by contract NOOOl4-86-K-00167 from the Office of Naval Research and a grant from the Canadian National Science and Engineering Research Council. Geoffrey Hinton is a fellow of the Canadian Institute for Advanced Research. We thank: Mike Franzini, Conrad Galland and Geoffrey Goodhill for helpful discussions and help with the simulations. ? American Institute of Physics 1988 359 the hidden units satisfy some other constraint. A second criticism of back-propagation is that it is neurally implausible (and hard to implement in hardware) because it requires all the connections to be used backwards and it requires the units to use different input-output functions for the forward and backward passes. Recirculation is designed to overcome this second criticism in the special case of encoder networks. output units I \ hidden units / r-. input units Fig. 1. A diagram of a three layer encoder network that learns good codes using back-propagation. On the forward pass, activity flows from the input units in the bottom layer to the output units in the top layer. On the backward pass, errorderivatives flow from the top layer to the bottom layer. Instead of using a separate group of units for the input and output we use the very same group of "visible" units, so the input vector is the initial state of this group and the output vector is the state after information has passed around the loop. The difference between the activity of a visible unit before and after sending activity around the loop is the derivative of the squared reconstruction error. So, if the visible units are linear, we can perfonn gradient descent in the squared error by changing each of a visible unit's incoming weights by an amount proportional to the product of this difference and the activity of the hidden unit from which the connection emanates. So learning the weights from the hidden units to the output units is simple. The harder problem is to learn the weights on connections coming into hidden units because there is no direct specification of the desired states of these units. Back-propagation solves this problem by back-propagating error-derivatives from the output units to generate error-derivatives for the hidden units. Recirculation solves the problem in a quite different way that is easier to implement but much harder to analyse. 360 THE RECIRCULATION PROCEDURE We introduce the recirculation procedure by considering a very simple architecture in which there is just one group of hidden units. Each visible unit has a directed connection to every hidden unit, and each hidden unit has a directed connection to every visible unit. The total input received by a unit is Xj = LYiWji - 9j (1) i where Yi is the state of the i th unit, K'ji is the weight on the connection from the i th to the Jib unit and 9j is the threshold of the Jh unit. The threshold tenn can be eliminated by giving every unit an extra input connection whose activity level is fIXed at 1. The weight on this special connection is the negative of the threshold, and it can be learned in just the same way as the other weights. This method of implementing thresholds will be assumed throughout the paper. The functions relating inputs to outputs of visible and hidden units are smooth monotonic functions with bounded derivatives. For hidden units we use the logistic function: y. = <1(x.) = J J I I +e-Xj (2) Other smooth monotonic functions would serve as well. For visible units, our mathematical analysis focuses on the linear case in which the output equals the total input, though in simulations we use the logistic function. We have already given a verbal description of the learning rule for the hiddento-visible connections. The weight, Wij , from the Ih hidden unit to the itlr visible unit is changed as follows: f:t.wij = ?y/I) [Yi(O)-Yi(2)] (3) where Yi(O) is the state of the i th visible unit at time 0 and Yi(2) is its state at time 2 after activity has passed around the loop once. The rule for the visible-to-hidden connections is identical: (4) where y/I) is the state of the lh hidden unit at time I (on the frrst pass around the loop) and y/3) is its state at time 3 (on the second pass around the loop). Fig. 2 shows the network exploded in time. In general, this rule for changing the visible-to-hidden connections does not perfonn steepest descent in the squared reconstruction error, so it behaves differently from back-propagation. This raises two issues: Under what conditions does it work, and under what conditions does it approximate steepest descent? 361 time =3 time = 1 time =2 time =0 Fig. 2. A diagram showing the states of the visible and hidden units exploded in time. The visible units are at the bottom and the hidden units are at the top. Time goes from left to right. CONDITIONS UNDER WHICH RECIRCULATION APPROXIMATES GRADIENT DESCENT For the simple architecture shown in Fig. 2, the recirculation learning procedure changes the visible-to-hidden weights in the direction of steepest descent in the squared reconstruction error provided the following conditions hold: 1. The visible units are linear. 2. The weights are symmetrical (i.e. wji=wij for all i,j). 3. The visible units have high regression. "Regression" means that, after one pass around the loop, instead of setting the activity of a visible unit, i, to be equal to its current total input, x i (2), as determined by Eq 1, we set its activity to be y;(2) = AY;(O) + (I-A)x;(2) (5) where the regression, A, is close to 1. Using high regression ensures that the visible units only change state slightly so that when the new visible vector is sent around the loop again on the second pass, it has very similar effects to the first pass. In order to make the learning rule for the hidden units as similar as possible to the rule for the visible units, we also use regression in computing the activity of the hidden units on the second pass (6) For a given input vector, the squared reconstruction error, E, is For a hidden unit, j, 362 where For a visible-to...hidden weight wj ; dE, dE = Yj(1)Yi(O)-dwj ; dYj(l) So, using Eq 7 and the assumption that Wkj=wjk for all k,j dE dw??}l =y/(l) y;(O) [LYk(2) Yk'(2) Wjk k LYk(O) Yk'(2) Wjk] k The assumption that the visible units are linear (with a gradient of 1) means that for all k, Yk'(2) = 1. So using Eq 1 we have dE = y.'(l) y.(O)[x.(3)-x~1)] dw .. } I ) } (8) }l Now, with sufficiently high regression, we can assume that the states of units only change slightly with time so that and Yt(O) ::::: y;(2) So by substituting in Eq 8 we get dE 1 -aw::::: (1 _ A) y;(2) [y/3) ji y/l)] (9) An interesting property of Eq 9 is that it does not contain a tenn for the gradient of the input-output function of unit } so recirculation learning can be applied even when unit} uses an unknown non-linearity. To do back-propagation it is necessary to know the gradient of the non-linearity, but recirculation measures the gradient by measuring the effect of a small difference in input, so the tenn y/3)-y/l) implicitly contains the gradient. 363 A SIMULATION OF RECIRCULATION From a biological standpoint, the synunetry requirement that wij=Wji is unrealistic unless it can be shown that this synunetry of the weights can be learned. To investigate what would happen if synunetry was not enforced (and if the visible units used the same non-linearity as the hidden units), we applied the recirculation learning procedure to a network with 4 visible units and 2 hidden units. The visible vectors were 1000, 0100, 0010 and 0001, so the 2 hidden units had to learn 4 different codes to represent these four visible vectors. All the weights and biases in the network were started at small random values uniformly distributed in the range -0.5 to +0.5. We used regression in the hidden units, even though this is not strictly necessary, but we ignored the teon 1/ (1 - A) in Eq 9. Using an E of 20 and a A. of 0.75 for both the visible and the hidden units, the network learned to produce a reconstruction error of less than 0.1 on every unit in an average of 48 weight updates (with a maximum of 202 in 100 simulations). Each weight update was perfonned after trying all four training cases and the change was the sum of the four changes prescribed by Eq 3 or 4 as appropriate. The final reconstruction error was measured using a regression of 0, even though high regression was used during the learning. The learning speed is comparable with back-propagation, though a precise comparison is hard because the optimal values of E are different in the two cases. Also, the fact that we ignored the tenn 1/ (1- A.) when modifying the visible-to-hidden weights means that recirculation tends to change the visible-to-hidden weights more slowly than the hidden-to-visible weights, and this would also help back -propagation. It is not inunediately obvious why the recirculation learning procedure works when the weights are not constrained to be synunetrical, so we compared the weight changes prescribed by the recirculation procedure with the weight changes that would cause steepest descent in the sum squared reconstruction error (i.e. the weight changes prescribed by back-propagation). As expected, recirculation and backpropagation agree on the weight changes for the hidden-to-visible connections, even though the gradient of the logistic function is not taken into account in weight adjustments under recirculation. (Conrad Galland has observed that this agreement is only slightly affected by using visible units that have the non-linear input-output function shown in Eq 2 because at any stage of the learning, all the visible units tend to have similar slopes for their input-output functions, so the non-linearity scales all the weight changes by approximately the same amount.) For the visible-to-hidden connections, recirculation initially prescribes weight changes that are only randomly related to the direction of steepest descent, so these changes do not help to improve the perfonnance of the system. As the learning proceeds, however, these changes come to agree with the direction of steepest descent. The crucial observation is that this agreement occurs after the hidden-tovisible weights have changed in such a way that they are approximately aligned (symmetrical up to a constant factor) with the visible-to-hidden weights. So it appears that changing the hidden-to-visible weights in the direction of steepest descent creates the conditions that are necessary for the recirculation procedure to cause changes in the visible-to-hidden weights that follow the direction of steepest descent. It is not hard to see why this happens if we start with random, zero-mean 364 visible-to-hidden weights. If the visible-to-hidden weight wji is positive, hidden unit j will tend to have a higher than average activity level when the ith visible unit has a higher than average activity. So Yj will tend to be higher than average when the reconstructed value of Yi should be higher than average -- i.e. when the tenn [Yi(O)-Yi(2)] in Eq 3 is positive. It will also be lower than average when this tenn is negative. These relationships will be reversed if w ji is negative, so w ij will grow faster when wJi is positive than it will when wji is negative. Smolensky4 presents a mathematical analysis that shows why a similar learning procedure creates symmetrical weights in a purely linear system. Williams 5 also analyses a related learning rule for linear systems which he calls the "symmetric error correction" procedure and he shows that it perfonns principle components analysis. In our simulations of recirculation, the visible-to-hidden weights become aligned with the corresponding hidden-to-visible weights, though the hidden-to-visible weights are generally of larger magnitude. A PICTURE OF RECIRCULATION To gain more insight into the conditions under which recirculation learning produces the appropriate changes in the visible-to-hidden weights, we introduce the pictorial representation shown in Fig. 3. The initial visible vector, A, is mapped into the reconstructed vector, C, so the error vector is AC. Using high regression, the visible vector that is sent around the loop on the second pass is P, where the difference vector AP is a small fraction of the error vector AC. If the regression is sufficiently high and all the non-linearities in the system have bounded derivatives and the weights have bounded magnitudes, the difference vectors AP, BQ, and CR will be very small and we can assume that, to first order, the system behaves linearly in these difference vectors. If, for example, we moved P so as to double the length of AP we would also double the length of BQ and CR. Fig. 3. A diagram showing some vectors (A, P) over the visible units, their "hidden" images (B, Q) over the hidden units, and their "visible" images (C, R) over the visible lUlits. The vectors B' and C' are the hidden and visible images of A after the visible-to-hidden weights have been changed by the learning procedure. 365 Suppose we change the visible-to-hidden weights in the manner prescribed by Eq 4, using a very smaIl value of ?. Let Q' be the hidden image of P (i.e. the image of P in the hidden units) after the weight changes. To first order, Q' will lie between B and Q on the line BQ. This follows from the observation that Eq 4 has the effect of moving each y/3) towards y/l) by an amount proportional to their difference. Since B is close to Q, a weight change that moves the hidden image of P from Q to Q' will move the hidden image of A from B to B', where B' lies on the extension of the line BQ as shown in Fig. 3. If the hidden-to-visible weights are not changed, the visible image of A will move from C to C', where C' lies on the extension of the line CR as shown in Fig. 3. So the visible-to-hidden weight changes will reduce the squared reconstruction error provided the vector CR is approximately parallel to the vector AP. But why should we expect the vector CR to be aligned with the vector AP? In general we should not, except when the visible-to-hidden and hidden-to-visible weights are approximately aligned. The learning in the hidden-to-visible connections has a tendency to cause this alignment. In addition, it is easy to modify the recirculation learning procedure so as to increase the tendency for the learning in the hidden-to-visible connections to cause alignment. Eq 3 has the effect of moving the visible image of A closer to A by an amount proportional to the magnitude of the error vector AC. If we apply the same rule on the next pass around the loop, we move the visible image of P closer to P by an amount proportional to the magnitude of PRo If the vector CR is anti-aligned with the vector AP, the magnitude of AC will exceed the magnitude of PR, so the result of these two movements will be to improve the alignment between AP and CR. We have not yet tested this modified procedure through simulations, however. This is only an infonnal argument and much work remains to be done in establishing the precise conditions under which the recirculation learning procedure approximates steepest descent. The infonnal argument applies equally well to systems that contain longer loops which have several groups of hidden units arranged in series. At each stage in the loop, the same learning procedure can be applied, and the weight changes will approximate gradient descent provided the difference of the two visible vectors that are sent around the loop aligns with the difference of their images. We have not yet done enough simulations to develop a clear picture of the conditions under which the changes in the hidden-to-visible weights produce the required alignment. USING A HIERARCHY OF CLOSED LOOPS Instead of using a single loop that contains many hidden layers in series, it is possible to use a more modular system. Each module consists of one "visible" group and one "hidden" group connected in a closed loop, but the visible group for one module is actually composed of the hidden groups of several lower level modules, as shown in Fig. 4. Since the same learning rule is used for both visible and hidden units, there is no problem in applying it to systems in which some units are the visible units of one module and the hidden units of another. Ballard6 has experimented with back-propagation in this kind of system, and we have run some simulations of recirculation using the architecture shown in Fig. 4. The network 366 learned to encode a set of vectors specified over the bottom layer. After learning, each of the vectors became an attractor and the network was capable of completing a partial vector, even though this involved passing information through several layers. 00 00 00 0000 0000 Fig 4. A network in which the hidden units of the bottom two modules are the visible units of the top module. CONCLUSION We have described a simple learning procedure that is capable of fonning representations in non-linear hidden units whose input-output functions have bounded derivatives. The procedure is easy to implement in hardware, even if the non-linearity is unknown. Given some strong assumptions, the procedure petforms gradient descent in the reconstruction error. If the synunetry assumption is violated, the learning procedure still works because the changes in the hidden-to-visible weights produce symmetry. H the assumption about the linearity of the visible units is violated, the procedure still works in the cases we have simulated. For the general case of a loop with many non-linear stages, we have an informal picture of a condition that must hold for the procedure to approximate gradient descent, but we do not have a fonnal analysis, and we do not have sufficient experience with simulations to give an empirical description of the general conditions under which the learning procedure works. REFERENCES 1. D. E. Rumelhart, G. E. Hinton and R.I. Williams, Nature 323, 533-536 (1986). 2. D. H. Ackley, G. E. Hinton and T. 1. Sejnowski, Cognitive Science 9,147-169 (1985). 3. G. Cottrell, 1. L. Elman and D. Zipser, Proc. Cognitive Science Society, Seattle, WA (1987). 4. P. Smolensky, Technical Report CU-CS-355-87, University of Colorado at Boulder (1986). 5. R.I. Williams, Technical Report 8501, Institute of Cognitive Science, University ofCalifomia, San Diego (1985). 6. D. H. Ballard, Proc. American Association for Artificial Intelligence, Seattle, W A (1987).
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Dynamic Modulation of Neurons and Networks Eve Marder Center for Complex Systems Brandeis University Waltham, MA 02254 USA Abstract Biological neurons have a variety of intrinsic properties because of the large number of voltage dependent currents that control their activity. Neuromodulatory substances modify both the balance of conductances that determine intrinsic properties and the strength of synapses. These mechanisms alter circuit dynamics, and suggest that functional circuits exist only in the modulatory environment in which they operate. 1 INTRODUCTION Many studies of artificial neural networks employ model neurons and synapses that are considerably simpler than their biological counterparts. A variety of motivations underly the use of simple models for neurons and synapses in artificial neural networks. Here, I discuss some of the properties of biological neurons and networks that are lost in overly simplified models of neurons and synapses. A fundamental principle in biological nervous systems is that neurons and networks operate over a wide range of time scales, and that these are modified by neuromodulatory substances. The flexible, multiple time scales in the nervous system allow smooth transitions between different modes of circuit operation. 2 NEURONS HAVE DIF'FERENT INTRINSIC PROPERTIES Each neuron has complex dynamical properties that depend on the number and kind of ion channels in its membrane. Ion channels have characteristic kinetics and voltage 511 512 Marder dependencies that depend on the sequence of amino acids of the protein. Ion channels may open and close in several milliseconds; others may stay open for hundreds of milliseconds or several seconds. Some neurons are silent unless they receive synaptic inputs. Silent neurons can be activated by depolarizing synaptic inputs, and many will fire on rebound from a hyperpolarizing input (postinhibitory rebound). Some neurons are tonically active in the absence of synaptic inputs, and synaptic inputs will increase or decrease their firing rate. Some neurons display rhythmic bursts of action potentials. These bursting neurons can display stable patterns of oscillatory activity, that respond to perturbing stimuli with behavior characteristic of oscillators, in that their period can be stably reset and entrained. Bursting neurons display a number of different voltage and time dependent conductances that interact to produce slow membrane potential oscillations with rapid action potentials riding on the depolarized phase. In a neuron such as R15 of Aplysia (Adams and Levitan 1985) or the AB neuron of the stomatogastric ganglion (STG) (Harris-Warrick and Flamm 1987), the time scale of the burst is in the second range, but the individual action potentials are produced in the 5-10msec time scale. Neurons can generate bursts by combining a variety of different conductances. The particular balance of these conductances can have significant impact on the oscillator's behavior (Epstein and Marder 1990; Kepler et aI1990; Skinner et aI1993), and therefore the choice of oscillator model to use must be made with care (Somers and Kopell 1993). Some neurons have a balance of conductances that give them bistable membrane potentials, allowing to produce plateau potentials. Typically, such neurons have two relatively stable states, a hyperpolarized silent state, and a sustained depolarized state in which they fire action potentials. The transition between these two modes of activity can be made with a short depolarizing or hyperpolarizing pulse (Fig. 1). Plateau potentials, like "flip-flops" in electronics, are a "short-term memory" mechanism for neural circuits. The intrinsic properties of neurons can be modified by sustained changes in membrane potential. Because the intrinsic properties of neurons depend on the balance of conductances that activate and inactivate in different membrane potential ranges and over a variety of time scales, hyperpolarization or depolarization can switch a neuron between modes of intrinsic activity (Llinas 1988; McCormick 1991; Leresche et aI1991). An interesting "memory-like" effect is produced by the slow inactivation properties of some K+ currents (McCormick 1991; Storm 1987). In cells with such currents a sustained depolarization can "amplify" a synaptic input from subthreshold to suprathreshold, as the sustained depolarization causes the K+ current to inactivate (Marom and Abbott 1994; Turrigiano, Marder and Abbott in preparation). This is another "short-term memory" mechanism that does not depend on changes in synaptic efficacy. Dynamic Modulation of Neurons and Networks A. CONTROL \20mV I04nA 1..., Figure 1: Intracellular recording from the DG neuron ofthe crab STG. A: control saline, a depolarizing current pulse elicits action potentials for its duration. B: In SDRNFLRFamide, a short depolarization elicits a plateau potential that lasts until a short hyperpolarizing current pulse terminates it. Modified from Weimann et al 1993. 2 INTRINSIC MEMBRANE PROPERTIES ARE MODULATED Biological nervous systems use many substances as neurotransmitters and neuromodulators. The effects of these substances include opening of rapid, relatively nonvoltage dependent ion channels, such as those mediating conventional rapid synaptic potentials. Alternatively, modulatory substances can change the number or type of voltage-dependent conductances displayed by a neuron, and in so doing dramatically modify the intrinsic properties of a neuron. In Fig. 1, a peptide, SDRNFLRFamide transforms the DG neuron of the crab STG from a state in which it fires only during a depolarizing pulse to one in which it displays long-lasting plateau properties (Weimann et al 1993). The salient feature here is that modulatory substances can elicit slow membrane properties not otherwise expressed. 3 SYNAPTIC STRENGTH IS MODULATED In most neural network models synaptic weights are modified by learning rules, but are not dependent on the temporal pattern of presynaptic activity. In contrast, in many biological synapses the amount of transmitter released depends on the frequency of firing of the presynaptic neuron. Facilitation, the increase in the amplitude of the postsynaptic current when' the presynaptic neuron is activated several times in quick succession is quite common. Other synapses show depression. The same neuron may show facilitation at some of its terminals while showing depression at others (Katz et al 1993). The facilitation and depression properties of any given synapse can not be deduced on first principles, but must be determined empirically. Synaptic efficacy is often modified by modulatory substances. A dramatic example is seen in the Aplysia gill withdrawal reflex, where serotonin significantly enhances the amplitude of the monosynaptic connection from the sensory to motor neurons (Clark and Kandel 1993; Emptage and Carew 1993). The effects of modulatory substances can occur on different branches on a neuron independently (Clark and Kandel 1993), and the same modulatory substance may have different actions at different sites of the same neuron. 513 514 Marder Electrical synapses are also subject to neuromodulation (Dowling, 1989). For example, in the retina dopamine reversibly uncouples horizonal cells. Modulation of synaptic strength can be quite extreme; in some cases synaptic contacts may be virtually invisible in some modulatory environments, while strong in others. The implications of this for circuit ooeration will be discussed below. Hormones Neuromodulators .DA ? ACh .OA LJ5-HT ? Oct II CCAP II cCCK ? ? AST Buc ID .HA .LK rnm GABA ? Oct IIlomTK ? APCH cCCK I'IlomTK 1'? 1 Proc Myomod ? ? RPCH SOAN 1'1 TNRN . Sensory Transmitters ? ACh } ~~~ Figure 2: Modulatory substances found in inputs to the STG. See Harris-Warrick et aI., 1992 for details. Figure courtesy of P. Skiebe. 4 TRANS:MITTERS ARE COLOCALIZED IN NEURONS The time course of a synaptic potential evoked by a neurotransmitter or modulator is a characteristic property of the ion channels gated by the transmitter and/or the second messenger system activated by the signalling molecule. Synaptic currents can be relatively fast, such as the rapid action of ACh at the vertebrate skeletal neuromuscular junction where the synaptic currents decay in several milliseconds. Alternatively, second messenger activated synaptic events may have durations lasting hundreds of milliseconds, seconds, or even minutes. Many neurons contain several differen.t neurotransmitters. It is common to find a small molecule such as glutamate or GABA colocalized with an amine such as serotonin or histamine and one or more neuropeptides. To describe the synaptic actions of such neurons, it is necessary to determine for each- signalling molecule how its release depends on the frequency and pattern of activity in the presynaptic Dynamic Modulation of Neurons and Networks terminal, and characterize its postsynaptic actions. This is important, because different mixtures of cotransmitters, and consequently of postsynaptic action may occur with different presynaptic patterns of activity. 5 NEURAL NETWORKS ARE MULTIPLY MODULATED Neural networks are controlled by many modulatory inputs and substances. Figure 2 illustrates the patterns of modulatory control to the crustacean stomatogastric nervous system, where the motor patterns produced by the only 30 neurons of the stomatogastric ganglion are controlled by about 60 input fibers (Coleman et a11992) that contain at least 15 different substances, including a variety of amines, amino acids, and neuropeptides (Marder and Weimann 1992; Harris-Warrick et aI1992). Each of these modulatory substances produces characteristic and different effects on the motor patterns of the STG (Figs. 3,4). This can be understood if one remembers that the intrinsic membrane properties as well as the strengths of the synaptic connections within this group of neurons are all subject to modulation. Because each cell has many conductances, many of which are subject to modulation, and because of the large number of synaptic connections, the modes of circuit operation are theoretically large. 6 CIRCUIT RECONFIGURA TION BY MODULATORY CONTROL Figure 3 illustrates that modulatory substances can tune the operation of a single functional circuit. However, neuromodulatory substances can also produce far more extensive changes in the functional organization of neuronal networks. Recent work on the STG demonstrates that sensory and modulatory neurons and substances can cause neurons to switch between different functional circuits, so that the same neuron is part of several different pattern generating circuits at different times (Hooper and Moulins 1989; Dickinson et al 1990; Weimann et al 1991; Meyrand et al 1991; Heinzel et al 1993). In the example shown in Fig. 4, in control saline the LG neuron is firing in time with the fast pyloric rhythm (the LP neuron is also firing in pyloric time), but there is no ongoing gastric rhythm. When the gastric rhythm was activated by application of the peptide SDRNFLRF NHz , the LG neuron fired in time with the gastric rhythm (Weimann et al 1993). These and other data lead us to conclude that it is the modulatory environment that constructs the functional circuit that produces a given behavior (Meyrand et al 1991). Thus, by tuning intrinsic membrane properties and synaptic strengths, neuromodulatory agents can recombine the same neurons into a variety of circuits, capable of generating remarkably distinct outputs. Acknowledgements I thank Dr. Petra Skiebe for Fig 3 art work. Research was supported by NSI7813. SIS 516 Marder CONTROL PILOCARPINE SEROTONIN Figure 3: Different forms of the pyloric rhythm different modulators. Each panel, the top two traces: simulataneous intracellular recordings from LP and PD neurons of crab STG; bottom trace: extracellular recording, Ivn nerve. Control, rhythmic pyloric activity absent. Substances were bath applied, the pyloric patterns produced were different. Modified from Marder and Weimann 1992. dgn Figure 4: Neurons switch between different pattem-genreating circuits. Left panel, the gastric rhythm not active (monitored by DG neuron), LG neuron in time with the pyloric rhythm (seen as activity in LP neuron). Right panel, gastric rhythm activated by SDRNFLRFamide, monitored by the DG neuron bursts recorded on the dgn. LG now fired in alternation with DG neuron. Pyloric time is seen as the interruptions in the activity of the VD neuron. Modified from Marder and Weimann 1992. Dynamic Modulation of Neurons and Networks References Adams WB and Levitan IB 1985 Voltage and ion dependencies of the slow currents which mediate bursting in Aplysia neurone R ,s ' J Physiol 360 69-93 Clark GA, Kandel ER 1993 Induction oflong-tenn facilitation in Aplysia sensory neurons by local application of serotonin to remote synapses. Proc Natl Acad Sci USA 90: 1141-11415 Coleman MJ, Nusbaum MP, Cournil I, Claiborne BJ 1992 Distribution of mopdulatory inputs to the stomatogastric ganglion of the crab, Cancer borealis. J Comp Neur 325: 581-594 Dickinson PS, Mecsas C, Marder E 1990 Neuropeptide fusion of two motor-pattern generator circuits. Nature 344: 155-158 Dowling JE 1989 Neuromodulation in the retina: the role of dopamine. Sem Neur 1:3543 Emptage NJ and Carew TJ 1993 Long-term synaptic facilitation in the absence of shortterm facilitation in Aplysia neurons. Science 262 253-256 Epstein IR, Marder E 1990 Multiple modes of a conditional neural oscillator. Bioi Cybern 63: 25-34 Harris-Warrick RM, Flamm RE 1987 Multiple mechanisms of bursting in a conditional bursting neuron. J Neurosci 7: 2113-2128 Harris-Warrick RM, Marder E, Selverston AI, Moulins M eds 1992 Dynamic Biological Networks: The Stomatogastric Nervous System. MIT Press Cambridge Heinzel H-G, Weimann JM, Marder E 1993 The behavioral repertoire of the gastric mill in the crab, Cancer pagurus: An in vivo endoscopic and electrophysiological examination. J Neurosci 13: 1793-1803 Hooper SL, Moulins M 1989 Switching of a neuron from one network to another by sensory-induced changes in membrane properties. Science 244: 1587-1589 Katz PS, Kirk MD, and Govind CK 1993 Facilitation and depression at different branches of the same motor axon: evidence for presynaptic differences in release. J Neurosci 13: 3075-3089 Kepler TB, Marder E, Abbott LF 1990 The effect of electrical coupling on the frequency of model neuronal oscillators. Science 248: 83-85 Leresche N, Lightowler S, Soltesz I, Jassik-Gerschenfeld D, and Crunelli V 1991 Lowfrequency oscillatory activities intrinsic to rat and car thalamocortical cells. J Physiol 441 155-174 Llinas RR 1988 The intrinsic electrophysiological properties of mammalian neurons: insights into central nervous system function. Science 242 1654-1664 McCormick DA 1991 Functional properties of slowly inactivating potassium current in guinea pig dorsal lateral geniculate relay neurons. J Physiol 66 1176-1189 Marom S and Abbott LF 1994 Modeling state-dependent inactivation of membrane currents. Biophysical J in press Marder E, Weimann JM 1992 Modulatory control of mUltiple task processing in the stomatogastric nervous system. IN: Neurobiology of Motor Programme Selection: new approaches to mechanisms of behavioral choice, Kien J, 517 518 Marder McCrohan C. Winlow W eds Pergamon Press Oxford Meyrand p. Simmers I. Moulins, M 1991 Construction of a pattern-generating circuit with neurons of different networks. NaJure 351: 60-63 Skinner FK. Turrigiano 00. Marder E 1993 Frequency and burst duration in oscillating neurons and two cell networks. Bioi Cybern 69: 375-383 Somers D. Kopell N 1993 Rapid synchronization through fast threshold modulation. Bioi Cybern 68: 393-407 Storm IF 1987 Temporal integration by a slowly inactivating K+ current in hippocampal neurons. NaJure 336: 379-381 Weimann 1M. Meyrand p. Marder E 1991 Neurons that form multiple pattern generators: Identification and multiple activity patterns of gastric/pyloric neurons in the crab stomatogastric system. J Neurophysiol 65: 111-122 Weimann 1M, Marder E, Evans B. Calabrese RL 1993 The effects of SDRNFLRFNHl and TNRNFLRFNHl on the motor patterns of the stomatogastric ganglion of the crab. Cancer borealis. J Exp Bioi 181: 1-26
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A Comparison of Dynamic Reposing and Tangent Distance for Drug Activity Prediction Thomas G. Dietterich Arris Pharmaceutical Corporation and Oregon State University Corvallis, OR 97331-3202 Ajay N. Jain Arris Pharmaceutical Corporation 385 Oyster Point Blvd., Suite 3 South San Francisco, CA 94080 Richard H. Lathrop and Tomas Lozano-Perez Arris Pharmaceutical Corporation and MIT Artificial Intelligence Laboratory 545 Technology Square Cambridge, MA 02139 Abstract In drug activity prediction (as in handwritten character recognition), the features extracted to describe a training example depend on the pose (location, orientation, etc.) of the example. In handwritten character recognition, one of the best techniques for addressing this problem is the tangent distance method of Simard, LeCun and Denker (1993). Jain, et al. (1993a; 1993b) introduce a new technique-dynamic reposing-that also addresses this problem. Dynamic reposing iteratively learns a neural network and then reposes the examples in an effort to maximize the predicted output values. New models are trained and new poses computed until models and poses converge. This paper compares dynamic reposing to the tangent distance method on the task of predicting the biological activity of musk compounds. In a 20-fold cross-validation, 216 A Comparison of Dynamic Reposing and Tangent Distance for Drug Activity Prediction dynamic reposing attains 91 % correct compared to 79% for the tangent distance method, 75% for a neural network with standard poses, and 75% for the nearest neighbor method. 1 INTRODUCTION The task of drug activity prediction is to predict the activity of proposed drug compounds by learning from the observed activity of previously-synthesized drug compounds. Accurate drug activity prediction can save substantial time and money by focusing the efforts of chemists and biologists on the synthesis and testing of compounds whose predicted activity is high. If the requirements for highly active binding can be displayed in three dimensions, chemists can work from such displays to design new compounds having high predicted activity. Drug molecules usually act by binding to localized sites on large receptor molecules or large enyzme molecules. One reasonable way to represent drug molecules is to capture the location of their surface in the (fixed) frame of reference of the (hypothesized) binding site. By learning constraints on the allowed location of the molecular surface (and important charged regions on the surface), a learning algorithm can form a model of the binding site that can yield accurate predictions and support drug design. The training data for drug activity prediction consists of molecules (described by their structures, i.e., bond graphs) and measured binding activities. There are two complications that make it difficult to learn binding site models from such data. First, the bond graph does not uniquely determine the shape of the molecule. The bond graph can be viewed as specifying a (possibly cyclic) kinematic chain which may have several internal degrees of freedom (i.e., rotatable bonds). The conformations that the graph can adopt, when it is embedded in 3-space, can be assigned energies that depend on such intramolecular interactions as the Coulomb attraction, the van der Waal's force, internal hydrogen bonds, and hydrophobic interactions. Algorithms exist for searching through the space of conformations to find local minima having low energy (these are called "conformers"). Even relatively rigid molecules may have tens or even hundreds of low energy conformers. The training data does not indicate which of these conformers is the "bioactive" one-that is, the conformer that binds to the binding site and produces the observed binding activity. Second, even if the bioactive conformer were known, the features describing the molecular surface-because they are measured in the frame of reference of the binding site-change as the molecule rotates and translates (rigidly) in space. Hence, if we consider feature space, each training example (bond graph) induces a family of 6-dimensional manifolds. Each manifold corresponds to one conformer as it rotates and translates (6 degrees of freedom) in space. For a classification task, a positive decision region for "active" molecules would be a region that intersects at least one manifold of each active molecule and no manifolds of any inactive molecules. Finding such a decision region is quite difficult, because the manifolds are difficult to compute. 217 218 Dietterich, Jain, Lathrop, and Lozano-Perez A similar "feature manifold problem" arises in handwritten character recognition. There, the training examples are labelled handwritten digits, the features are extracted by taking a digitized gray-scale picture, and the feature values depend on the rotation, translation, and zoom of the camera with respect to the character. = 1, ... , N be training examWe can formalize this situation as follows. Let Xi, i ples (i.e., bond graphs or physical handwritten digits), and let I(Xi) be the label associated with Xi (i.e., the measured activity of the molecule or the identity of the handwritten digit). Suppose we extract n real-valued features V( Xi) to describe object Xi and then employ, for example, a multilayer sigmoid network to approximate I(x) by j(x) g(V(x?. This is the ordinary supervised learning task. = However, the feature manifold problem arises when the extracted features depend on the "pose" of the example. We will define the pose to be a vector P of parameters that describe, for example, the rotation, translation, and conformation of a molecule or the rotation, translation, scale, and line thickness of a handwritten digit. In this case, the feature vector V(x,p) depends on both the example and the pose. Within the handwritten character recognition community, several techniques have been developed for dealing with the feature manifold problem. Three existing approaches are standardized poses, the tangent-prop method, and the tangent-distance method. Jain et al. (1993a, 1993b) describe a new method-dynamic reposingthat applies supervised learning simultaneously to discover the "best" pose pi of each training example Xi and also to learn an approximation to the unknown function I(x) as j(Xi) = g(V(Xi'p;?. In this paper, we briefly review each of these methods and then compare the performance of standardized poses, tangent distance, and dynamic reposing to the problem of predicting the activity of musk molecules. 2 2.1 FOUR APPROACHES TO THE FEATURE MANIFOLD PROBLEM STANDARDIZED POSES The simplest approach is to select only one of the feature vectors V( Xi, Pi) for each S(Xi), that computes a standard pose example by constructing a function, Pi for each object. Once Pi is chosen for each example, we have the usual supervised learning task-each training example has a unique feature vector, and we can approximate 1 by j(x) g(V(x, S(x?). = = The difficulty is that S can be very hard to design. In optical character recognition, S typically works by computing some pose-invariant properties (e.g., principal axes of a circumscribing ellipse) of Xi and then choosing Pi to translate, rotate, and scale Xi to give these properties standard values. Errors committed by OCR algorithms can often be traced to errors in the S function, so that characters are incorrectly positioned for recognition. In drug activity prediction, the standardizing function S must guess which conformer is the bioactive conformer. This is exceedingly difficult to do without additional information (e.g., 3-D atom coordinates of the molecule bound in the binding A Comparison of Dynamic Reposing and Tangent Distance for Drug Activity Prediction site as determined by x-ray crystallography). In addition, S must determine the orientation of the bioactive conformers within the binding site. This is also quite difficult-the bioactive conformers must be mutually aligned so that shared potential chemical interactions (e.g., hydrogen bond donors) are superimposed. 2.2 TANGENT PROPAGATION The tangent-prop approach (Simard, Victorri, LeCun, & Denker, 1992) also employs a standardizing function S, but it augments the learning procedure with the constraint that the output of the learned function g(V( x, p)) should be invariant with respect to slight changes in the poses of the examples: II\7 p g(V(x,p)) Ip=S(x) I = 0, where II . II indicates Euclidean norm. This constraint is incorporated by using the left-hand-side as a regularizer during backpropagation training. Tangent-prop can be viewed as a way of focusing the learning algorithm on those input features and hidden-unit features that are invariant with respect to slight changes in pose. Without the tangent-prop constraint, the learning algorithm may identify features that "accidentally" discriminate between classes. However, tangent-prop still assumes that the standard poses are correct. This is not a safe assumption in drug activity prediction. 2.3 TANGENT DISTANCE The tangent-distance approach (Simard, LeCun & Denker, 1993) is a variant of the nearest-neighbor algorithm that addresses the feature manifold problem . Ideally, the best distance metric to employ for the nearest-neighbor algorithm with feature manifolds is to compute the "manifold distance"-the point of nearest approach between two manifolds: This is very expensive to compute, however, because the manifolds can have highly nonlinear shapes in feature space, so the manifold distance can have many local mInIma. The tangent distance is an approximation to the manifold distance. It is computed by approximating the manifold by a tangent plane in the vicinity of the standard poses. Let Ji be the Jacobian matrix defined by (Jdik = 8V(Xi,Pi)ij8(Pih, which gives the plane tangent to the manifold of molecule Xi at pose Pi. The tangent distance is defined as = = S(xI) and P2 S(X2)' The column vectors a and b give the change where PI in the pose required to minimize the distance between the tangent planes approximating the manifolds. The values of a and b minimizing the right-hand side can be computed fairly quickly via gradient descent (Simard, personal communication). In practice, only poses close to S(xd and S(X2) are considered, but this provides 219 220 Dietterich, Jain, Lathrop, and Lozano-Perez more opportunity for objects belonging to the same class to adopt poses that make them more similar to each other. In experiments with handwritten digits, Simard, LeCun, and Denker (1993) found that tangent distance gave the best performance of these three methods. 2.4 DYNAMIC REPOSING All of the preceding methods can be viewed as attempts to make the final predicted output j(x) invariant with respect to changes in pose. Standard poses do this by not permitting poses to change . Tangent-prop adds a local invariance constraint. Tangent distance enforces a somewhat less local invariance constraint. In dynamic reposing, we make j invariant by defining it to be the maximum value (taken over all poses p) of an auxiliary function g: j(x) = max g(V(x,p)). p The function 9 will be the function learned by the neural network. Before we consider how 9 is learned, let us first consider how it can be used to predict the activity of a new molecule x'. To compute j(x'), we must find the pose p'. that maximizes g(V(x',p'*?. We can do this by performing a gradient ascent starting from the standard pose S(x) and moving in the direction of the gradient of 9 with respect to the pose: \7plg(V(X',p'?. This process has an important physical analog in drug activity prediction. If x' is a new molecule and 9 is a learned model of the binding site, then by varying the pose p' we are imitating the process by which the molecule chooses a low-energy conformation and rotates and translates to "dock" with the binding site. In handwritten character recognition, this would be the dual of a deformable template model: the template (g) is held fixed, while the example is deformed (by rotation, translation, and scaling) to find the best fit to the template. The function 9 is learned iteratively from a growing pool of feature vectors. Initially, the pool contains only the feature vectors for the standard poses of the training examples (actually, we start with one standard pose of each low energy conformation of each training example). In iteration j, we apply backpropagation to learn hypothesis gj from selected feature vectors drawn from the pool. For each molecule, one feature vector is selected by performing a forward propagation (i.e., computing 9(V(Xi' Pi?)) of all feature vectors of that molecule and selecting the one giving the highest predicted activity for that molecule. After learning gj, we then compute for each conformer the pose gj(V(Xi' p?: ?+1 Pi P1+1 that maximizes = argmax gj(V(Xi'p?. p From the chemical perspective, we permit each of the molecules to "dock" to the current model gj of the binding site. The feature vectors V(Xi,Pi?+1 ) corresponding to these poses are added to the pool of poses, and a new hypothesis gj+l is learned. This process iterates until the poses A Comparison of Dynamic Reposing and Tangent Distance for Drug Activity Prediction cease to change. Note that this algorithm is analogous to the EM procedure (Redner & Walker, 1984) in that we accomplish the simultaneous optimization of 9 and the poses {Pi} by conducting a series of separate optimizations of 9 (holding {Pi} fixed) and {pd (holding 9 fixed). We believe the power of dynamic reposing results from its ability to identify the features that are critical for discriminating active from inactive molecules. In the initial, standard poses, a learning algorithm is likely to find features that "accidentally" discriminate actives from inactives. However, during the reposing process, inactive molecules will be able to reorient themselves to resemble active molecules with respect to these features. In the next iteration, the learning algorithm is therefore forced to choose better features for discrimination. Moreover, during reposing, the active molecules are able to reorient themselves so that they become more similar to each other with respect to the features judged to be important in the previous iteration. In subsequent iterations, the learning algorithm can "tighten" its criteria for recognizing active molecules. In the initial, standard poses, the molecules are posed so that they resemble each other along all features more-or-Iess equally. At convergence, the active molecules have changed pose so that they only resemble each other along the features important for discrimination. 3 3.1 AN EXPERIMENTAL COMPARISON MUSK ACTIVITY PREDICTION We compared dynamic reposing with the tangent distance and standard pose methods on the task of musk odor prediction. The problem of musk odor prediction has been the focus of many modeling efforts (e.g., Bersuker, et al., 1991; Fehr, et al., 1989; Narvaez, Lavine & Jurs, 1986). Musk odor is a specific and clearly identifiable sensation, although the mechanisms underlying it are poorly understood. Musk odor is determined almost entirely by steric (i.e., "molecular shape") effects (Ohloff, 1986). The addition or deletion of a single methyl group can convert an odorless compound into a strong musk. Musk molecules are similar in size and composition to many kinds of drug molecules. We studied a set of 102 diverse structures that were collected from published studies (Narvaez, Lavine & Jurs, 1986; Bersuker, et al., 1991; Ohloff, 1986; Fehr, et al., 1989). The data set contained 39 aromatic, oxygen-containing molecules with musk odor and 63 homologs that lacked musk odor. Each molecule was conformationally searched to identify low energy conformations. The final data set contained 6,953 conformations of the 102 molecules (for full details of this data set, see Jain, et al., 1993a). Each of these conformations was placed into a starting pose via a hand-written S function. We then applied nearest neighbor with Euclidean distance, nearest neighbor with the tangent distance, a feed-forward network without reposing, and a feed-forward network with the dynamic reposing method. For dynamic reposing, five iterations of reposing were sufficient for convergence. The time required to compute the tangent distances far exceeds the computation times of the other algorithms. To make the tangent distance computations feasible, we only 221 222 Dietterich, Jain, Lathrop, and Lozano-Perez Table 1: Results of 20-fold cross-validation on 102 musk molecules. Percent Correct Method Nearest neighbor (Euclidean distance) 75 Neural network (standard poses) 75 Nearest neighbor (Tangent distance) 79 Neural network (dynamic reposing) 91 Table 2: Neural network cross-class predictions (percent correct) N Molecular class: Standard poses Dynamic reposing 85 100 76 90 74 85 57 71 computed the tangent distance for the 200 neighbors that were nearest in Euclidean distance. Experiments with a subset of the molecules showed that this heuristic introduced no error on that subset. Table 1 shows the results of a 20-fold cross-validation of all four methods. The tangent distance method does show improvement with respect to a standard neural network approach (and with respect to the standard nearest neighbor method). However, the dynamic reposing method outperforms the other two methods substantially. An important test for drug activity prediction methods is to predict the activity of molecules whose molecular structure (i.e., bond graph) is substantially different from the molecules in the training set. A weakness of many existing methods for drug activity prediction (Hansch & Fujita, 1964; Hansch, 1973) is that they rely on the assumption that all molecules in the training and test data sets share a common structural skeleton. Because our representation for molecules concerns itself only with the surface of the molecule, we should not suffer from this problem. Table 2 shows four structural classes of molecules and the results of "class holdout" experiments in which all molecules of a given class were excluded from the training set and then predicted. Cross-class predictions from standard poses are not particularly good. However, with dynamic reposing, we obtain excellent cross-class predictions. This demonstrates the ability of dynamic reposing to identify the critical discriminating features. Note that the accuracy of the predictions generally is determined by the size of the training set (i.e., as more molecules are withheld, performance drops). The exception to this is the right-most class, where the local geometry of the oxygen atom is substantially different from the other three classes. A Comparison of Dynamic Reposing and Tangent Distance for Drug Activity Prediction 4 CONCLUDING REMARKS The "feature manifold problem" arises in many application tasks, including drug activity prediction and handwritten character recognition. A new method, dynamic reposing, exhibits performance superior to the best existing method, tangent distance, and to other standard methods on the problem of musk activity prediction. In addition to producing more accurate predictions, dynamic reposing results in a learned binding site model that can guide the design of new drug molecules. Jain, et al., (1993a) shows a method for visualizing the learned model in the context of a given molecule and demonstrates how the model can be applied to guide drug design. Jain, et al., (1993b) compares the method to other state-of-the-art methods for drug activity prediction and shows that feed-forward networks with dynamic reposing are substantially superior on two steroid binding tasks. The method is currently being applied at Arris Pharmaceutical Corporation to aid the development of new pharmaceutical compounds. Acknowledgements Many people made contributions to this project. The authors thank Barr Bauer, John Burns, David Chapman, Roger Critchlow, Brad Katz, Kimberle Koile, John Park, Mike Ross, Teresa Webster, and George Whitesides for their efforts. References Bersuker, I. B., Dimoglo, A. S., Yu. Gorbachov, M., Vlad, P. F., Pesaro, M. (1991). New Journal of Chemistry, 15, 307. Fehr, C., Galindo, J., Haubrichs, R., Perret, R. (1989). Helv. Chim. Acta, 72, 1537. Hansch, C. (1973). In C. J. Cavallito (Ed.), Structure-Activity Relationships. Oxford: Pergamon. Hansch, C., Fujita, T. (1964). J. Am. Chem. Soc., 86, 1616. Jain, A. N., Dietterich, T. G., Lathrop, R. H., Chapman, D., Critchlow, R . E., Bauer, B. E., Webster, T. A., Lozano-Perez, T. (1993a). A shape-based method for molecular design with adaptive alignment and conformational selection. Submitted. Jain, A., Koile, K., Bauer, B., Chapman, D. (1993b). Compass: A 3D QSAR method. Performance comparisons on a steroid benchmark. Submitted. Narvaez, J. N., Lavine, B. K., Jurs, P. C. (1986). Chemical Senses, 11, 145-156. Ohloff, G. (1986). Chemistry of odor stimuli. Experientia, 42, 271. Redner, R. A., Walker, H. F. (1984). Mixture densities, maximum likelihood, and the EM algorithm. SIAM Review, 26 (2) 195-239. Simard, P. Victorri, B., Le Cun, Y. Denker, J. (1992). Tangent Prop-A formalism for specifying selected invariances in an adaptive network. In Moody, J. E., Hanson, S. J., Lippmann, R. P. (Eds.) Advances in Neural Information Processing Systems 4. San Mateo, CA: Morgan Kaufmann. 895-903. Simard, P. Le Cun, Y., Denker, J. (1993). Efficient pattern recognition using a new transformation distance. In Hanson, S. J., Cowan, J. D., Giles, C. L. (Eds.) Advances in Neural Information Processing Systems 5, San Mateo, CA: Morgan Kaufmann. 50-58. 223
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Optimal Unsupervised Motor Learning Predicts the Internal Representation of Barn Owl Head Movements Terence D. Sanger Jet Propulsion Laboratory MS 303-310 4800 Oak Grove Drive Pasadena, CA 91109 Abstract (Masino and Knudsen 1990) showed some remarkable results which suggest that head motion in the barn owl is controlled by distinct circuits coding for the horizontal and vertical components of movement. This implies the existence of a set of orthogonal internal coordinates that are related to meaningful coordinates of the external world. No coherent computational theory has yet been proposed to explain this finding. I have proposed a simple model which provides a framework for a theory of low-level motor learning. I show that the theory predicts the observed microstimulation results in the barn owl. The model rests on the concept of "Optimal Unsupervised Motor Learning", which provides a set of criteria that predict optimal internal representations. I describe two iterative Neural Network algorithms which find the optimal solution and demonstrate possible mechanisms for the development of internal representations in animals. 1 INTRODUCTION In the sensory domain, many algorithms for unsupervised learning have been proposed. These algorithms learn depending on statistical properties of the input data, and often can be used to find useful "intermediate" sensory representations 614 Bam Owl Head Movements u p y z Figure 1: Structure of Optimal Unsupervised Motor Learning. z is a reduced-order internal representation between sensory data y and motor commands u. P is the plant and G and N are adaptive sensory and motor networks. A desired value of z produces a motor command u N z resulting in a new intermediate value GPNz. z= = by extracting important features from the environment (Kohonen 1982, Sanger 1989, Linsker 1989, Becker 1992, for example). An extension of these ideas to the domain of motor control has been proposed in (Sanger 1993). This work defined the concept of "Optimal Unsupervised Motor Learning" as a method for determining optimal internal representations for movement. These representations are intended to model the important controllable components of the sensory environment, and neural networks are capable of learning the computations necessary to gain control of these components. In order to use this theory as a model for biological systems, we need methods to infer the form of biological internal representations so that these representations can be compared to those predicted by the theory. Discrepancies between the predictions and results may be due either to incorrect assumptions in the model, or to constraints on biological systems which prevent them from achieving optimality. In either case, such discrepancies can lead to improvements in the model and are thus important for our understanding of the computations involved. On the other hand, if the model succeeds in making qualitative predictions of biological responses, then we can claim that the biological system possesses the optimality properties of the model, although it is unlikely to perform its computations in exactly the same manner. 2 BARN OWL EXPERIMENTS A relevant set of experiments was performed by (Masino and Knudsen 1990) in the barn owl. These experiments involved microstimulation of sites in the optic tectum responsible for head movement. By studying the responses to stimulation at different sites separated by short or long time intervals, it was possible to infer the existence of distinct "channels" for head movement which could be made refractory by prior stimulation. These channels were oriented in the horizontal and vertical directions in external coordinates, despite the fact that the neck musculature of the barn owl is sufficiently complex that such orientations appear unrelated to any set 615 616 Sanger of natural motor coordinates. This result raises two related questions. First, why are the two channels orthogonal with respect to external Cartesian coordinates, and second, why are they oriented horizontally and vertically? The theory of Optimal Unsupervised Motor Learning described below provides a model which attempts to answer both questions. It automatically develops orthogonal internal coordinates since such coordinates can be used to minimize redundancy in the internal representation and simplify computation of motor commands. The selection of the internal coordinates will be based on the statistics of the components of the sensory data which are controllable, so that if horizontal and vertical movements are distinguished in the environment then these components will determine the orientation of intermediate channels. We can hypothesize that the horizontal and vertical directions are distinguished in the owl by their relation to sensory information generated from physical properties of the environment such as gravity or symmetry properties of the owl's head. In the simulation below, I show that reasonable assumptions on such symmetry properties are sufficient to guarantee horizontal and vertical orientations of the intermediate coordinate system. 3 OPTIMAL UNSUPERVISED MOTOR LEARNING Optimal Unsupervised Motor Learning (OUML) attempts to invert the dynamics of an unknown plant while maintaining control of the most important modes (Sanger 1993). Figure 1 shows the general structure of the control loop, where the plant P maps motor commands u into sensory outputs y = Pu, the adaptive sensory transformation G maps sensory data y into a reduced order intermediate representation z Gy, and the adaptive motor transformation N maps desired values of z into the motor commands u N z which achieve them. Let z = G P N z be the value of the intermediate variables after movement, and f) = P NGy be the resulting value of the sensory variables. For any chosen value of z we want z, so that we successfully control the intermediate variables. = = z= In (Sanger 1993) it was proposed that we want to choose z to have lower dimensionality than y and to represent only the coordinates which are most important for controlling the desired behavior. Thus, in general, f) =/; y and Ily - f)1I is the performance error. OUML can then be described as 1. Minimize the movement error 1If) - yll 2. Subject to accurate control z= z. These criteria lead to a choice of internal representation that maximizes the loop gain through the plant. Theorem 1: (Sanger 1993) For any sensory mapping G there exists a motor mapping N such t~at z = z, and [; _ E[lIy - f)1I] is mi1!.imized when G is chosen to minimize E[lly - G-1Gyll]' where G-l is such that GG-l = I. The function G is an arbitrary right inverse of G, and this function determines the asymptotic values of the unobserved modes. In other words, since G in general is Gy will not respond to all the modes in y so that dimensionality-reducing, z dissimilar states may project to identical intermediate control variables z. The = Barn Owl Head Movements Plant 1 Linear RBF Polynomial II Motor Linear Linear Polynomial Sensory Eigenvectors of E[yy'l ] Eigenvectors of basis function outputs Eigenvectors of basis function outputs Figure 2: Special cases of Theorem 1. If the plant inverse is linear or can be approximated using a sum of radial basis functions or a polynomial, then simple closed-form solutions exist for the optimal sensory network and the motor network only needs to be linear or polynomial. a- 1 G is a projection operator that determines the resulting plant output function fJ for any desired value of y. Unsupervised motor learning is "optimal" when the 1 G is the best approximation to the statistical projection surface determined by density of desired values of y. a- Without detailed knowledge of the plant, it may be difficult to find the general solution described by the theorem. Fortunately, there are several important special cases in which simple closed-form solutions exist. These cases are summarized in figure 2 and are determined by the class of functions to which the plant inverse belongs. If the plant inverse can be approximated as a sum of radial basis functions, then the motor network need only be linear and the optimal sensory network is given by the eigenvectors of the autocorrelation matrix of the basis function outputs (as in (Sanger 1991a)). If the plant inverse can be approximated as a polynomial over a set of basis functions (as in (Sanger 1991b)), then the motor network needs to be a polynomial, and again the optimal sensory network is given by the eigenvectors of the autocorrelation matrix of the basis function outputs. Since the model of the barn owl proposed below has a linear inverse we are interested in the linear case, so we know that the mappings Nand G need only be linear and that the optimal value of G is given by the eigenvectors of the autocorrelation matrix of the plant outputs y. In fact, it can be shown that the optimal Nand G are given by the matrices ofleft and right singular vectors of the plant inverse (Sanger 1993). Although several algorithms for iterative computation of eigenvectors exist, until recently there were no iterative algorithms for finding the left and right singular vectors. I have developed two such algorithms, called the "Double Generalized Hebbian Algorithm" (DGHA) and the "Orthogonal Asymmetric Encoder" (OAE). (These algorithms are described in detail elsewhere in this volume.) DGHA is described by: !J..G !J..NT r(zyT - LT[zzT]G) r(zu T - LT[zzT]N T ) while OAE is described by: !J..G !J..NT r(zyT - LT[zzT]G) r( Gy - LT[GGT]z)uT where LT[ ] is an operator that sets the above diagonal elements of its matrix argument to zero, y = Pu, z = Gy, z = NT u, and r is a learning rate constant. 617 618 Sanger Movement Sensors Neck Muscles e u Sensory Transform Motor Transform y N z Figure 3: Owl model, and simulation results. The "Sensory Transform" box shows the orientation tuning of the learned internal representation. 4 SIMULATION I use OUML to simulate the owl head movement experiments described in (Masino and Knudsen 1990), and I predict the form of the internal motor representation. I assume a simple model for the owl head using two sets of muscles which are not aligned with either the horizontal or the vertical direction (see the upper left block of figure 3). This model is an extreme oversimplification of the large number of muscle groups present in the barn owl neck, but it will serve to illustrate the case of muscles which do not distinguish the horizontal and vertical directions. I assume that during learning the owl gives essentially random commands to the muscles, but that the physics of head movement result in a slight predominance of either vertical or horizontal motion. This assumption comes from the symmetry properties of the owl head, for which it is reasonable to expect that the axes of rotational symmetry lie in the coronal, sagittal, and transverse planes, and that the moments of inertia about these axes are not equal. I model sensory receptors using a set of 12 oriented directionally-tuned units, each with a half-bandwidth at half-height of 15 degrees (see the upper right block of figure 3). Together, the Neck Muscles and Movement Sensors (the two upper blocks of figure 3) form the model of the plant which transforms motor commands u into sensory outputs y. Although this plant is nonlinear, it can be shown to have an approximately linear inverse on Barn Owl Head Movements Desired Direction Figure 4: Unsupervised Motor Learning successfully controls the owl head simulation. its range. The sensory units are connected through an adaptive linear network G to three intermediate units which will become the internal coordinate system z. The three intermediate units are then connected back to the motor outputs through a motor network N so that desired sensory states can be mapped onto the motor commands necessary to produce them. The sensory to intermediate and intermediate to motor mappings were allowed to adapt to 1000 random head movements, with learning controlled by DGHA. 5 RESULTS After learning, the first intermediate unit responded to the existence of a motion, and did not indicate its direction. The second and third units became broadly tuned to orthogonal directions. Over many repeated learning sessions starting from random initial conditions, it was found that the intermediate units were always aligned with the horizontal and vertical axes and never with the diagonal motor axes. The resulting orientation tuning from a typical session is shown in the lower right box of figure 3. Note that these units are much more broadly tuned than the movement sensors (the half-bandwidth at half-height is 45 degrees). The orientation of the internal channels is determined by the assumed symmetry properties of the owl head. This information is available to the owl as sensory data, and OUML allows it to determine the motor representation. The system has successfully inverted the plant, as shown in figure 4. (Masino and Knudsen 1990) investigated the intermediate representations in the owl by taking advantage of the refractory period of the internal channels. It was found that if two electrical stimuli which at long latency tended to move the owl's head in directions located in adjacent quadrants were instead presented at short latency, the second head movement would be aligned with either the horizontal or vertical axis. Figure 5 shows the general form of the experimental results, which are consistent with the hypothesis that there are four independent channels coding 619 620 Sanger Move 2a Move 2a Move 1 Move 1 Move 2b iliL Move 2b Short Interval Long Interval Figure 5: Schematic description of the owl head movement experiment. At long interstimulus intervals (lSI), moves 2a and 2b move up and to the right, but at short lSI the rightward channel is refractory from move 1 and thus moves 2a and 2b only have an upward component. ---I I ?? .. or 11 I a. "". - - .. ... '10 h. 0' ~"""'tfII., Figure 6: Movements align with the vertical axis as the lSI shortens. a. Owl data (reprinted with permission from (Masino and Knudsen 1990?. h. Simulation results. the direction of head movement, and that the first movement makes either the left, right, up, or down channels refractory. As the interstimulus interval (lSI) is shortened, the alignment of the second movement with the horizontal or vertical axis becomes more pronounced. This is shown in figure 6a for the barn owl and 6b for the simulation. If we stimulate sites that move in many different directions, we find that at short latency the second movement always aligns with the horizontal or vertical axis, as shown in figure 7a for the owl and figure 7b for the simulation. 6 CONCLUSION Optimal Unsupervised Motor Learning provides a model for adaptation in low-level motor systems. It predicts the development of orthogonal intermediate representations whose orientation is determined by the statistics of the controllable components of the sensory environment . The existence of iterative neural algorithms for both linear and nonlinear plants allows simulation of biological systems, and I have Barn Owl Head Movements .... ?; a. I.ONG "TEaVAL I ~ -.. .. ., " i ?~ SHORT INTERVAL - .,--"-- h. Figure 7: At long lSI, the second movement can occur in many directions, but at short lSI will tend to align with the horizontal or vertical axis. a. Owl data (reprinted with permission from (Masino and Knudsen 1990)). h. Simulation results. shown that the optimal internal representation predicts the horizontal and vertical alignment of the internal channels for barn owl head movement. Acknowledgements Thanks are due to Tom Masino for helpful discussions as well as for allowing reproduction of the figures from (Masino and Knudsen 1990). This report describes research done within the -laboratory of Dr. Emilio Bizzi in the department of Brain and Cognitive Sciences at MIT. The author was supported during this work by a National Defense. Science and Engineering Graduate Fellowship, and by NIH grants 5R37 AR26710 and 5ROINS09343 to Dr. Bizzi. References Becker S., 1992, An Information-Theoretic Unsupervised Learning Algorithm for Neural Networks, PhD thesis, Univ. Toronto Dept. Computer Science. Kohonen T., 1982, Self-organized formation of topologically correct feature maps, Biological Cybernetics, 43:59-69. Linsker R., 1989, How to generate ordered maps by maximizing the mutual information between input and output signals, Neural Computation, 1:402-411. Masino T ., Knudsen E. I., 1990, Horizontal and vertical components of head movement are controlled by distinct neural circuits in the barn owl, Nature, 345:434-437. Sanger T. D., 1989, Optimal unsupervised learning in a single-layer linear feedforward neural network, Neural Networks, 2:459-473. Sanger T. D., 1991a, Optimal hidden units for two-layer nonlinear feedforward neural networks, International Journal of Pattern Recognition and Artificial Intelligence, 5(4):545-561, Also appears in C. H. Chen, ed., Neural Networks in Pattern Recognition and Their Applications, World Scientific, 1991, pp. 43-59. Sanger T. D., 1991b, A tree-structured adaptive network for function approximation in high dimensional spaces, IEEE Trans. Neural Networks, 2(2):285-293. Sanger T. D., 1993, Optimal unsupervised motor learning, IEEE Trans. Neural Networks, in press. 621
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A Hodgkin-Huxley Type Neuron Model That Learns Slow Non-Spike Oscillation Kenji Doya* Allen I. Selverston Department of Biology University of California, San Diego La Jolla, CA 92093-0357, USA Peter F. Rowat Abstract A gradient descent algorithm for parameter estimation which is similar to those used for continuous-time recurrent neural networks was derived for Hodgkin-Huxley type neuron models. Using membrane potential trajectories as targets, the parameters (maximal conductances, thresholds and slopes of activation curves, time constants) were successfully estimated. The algorithm was applied to modeling slow non-spike oscillation of an identified neuron in the lobster stomatogastric ganglion. A model with three ionic currents was trained with experimental data. It revealed a novel role of A-current for slow oscillation below -50 mY. 1 INTRODUCTION Conductance-based neuron models, first formulated by Hodgkin and Huxley [10], are commonly used for describing biophysical mechanisms underlying neuronal behavior. Since the days of Hodgkin and Huxley, tens of new ionic channels have been identified [9]. Accordingly, recent H-H type models have tens of variables and hundreds of parameters [1, 2]. Ideally, parameters of H-H type models are determined by voltage-clamp experiments on individual ionic currents. However, these experiments are often very difficult or impossible to carry out. Consequently, many parameters must be hand-tuned in computer simulations so that the model behavior resembles that of the real neuron. However, a manual search in a high dimensional *current address: The Salk Institute, CNL, P.O. Box 85800, San Diego, CA 92186-5800. 566 A Hodgkin-Huxley Type Neuron Model That Learns Slow Non-Spike Oscillation I Figure 1: A connectionist's view of the H-H neuron model. parameter space is very unreliable. Moreover, even if a good match is found between the model and the real neuron, the validity of the parameters is questionable because there are, in general, many possible settings that lead to apparently the same behavior . We propose an automatic parameter tuning algorithm for H-H type neuron models [5]. Since a H-H type model is a network of sigmoid functions, multipliers, and leaky integrators (Figure 1), we can tune its parameters in a manner similar to the tuning of connection weights in continuous-time neural network models [6, 12]. By training a model from many initial parameter points to match the experimental data, we can systematically estimate a region in the parameter space, instead of a single point. We first test if the parameters of a spiking neuron model can be identified from the membrane potential trajectories. Then we apply the learning algorithm to a model of slow non-spike oscillation of an identified neuron in the lobster stomatogastric ganglion [7]. The resulting model suggests a new role of A-current [3] for slow oscillation in the membrane potential range below -50 m V. 2 STANDARD FORM OF IONIC CURRENTS Historically, different forms of voltage dependency curves have been used to represent the kinetics of different ionic channels. However, in order to derive a simple, efficient learning algorithm, we chose a unified form of voltage dependency curves which is based on statistical physics of ionic channels [11] for all the ionic currents in the model. The dynamics of the membrane potential v is given by Gil =I - LIj, (1) j where G is the membrane capacitance and I is externally injected current. The j-th ionic current Ij is the product of the maximum conductance 9j, activation variable 567 568 Doya, Selverston, and Rowat aj, inactivation variable bj , and the difference of the membrane potential v from the reversal potential Vrj. The exponents Pi and qj represent multiplicity of gating elements in the ionic channels and are usually an integer between 0 and 4. Variables aj and bj are assumed to obey the first order differential equation (2) Their steady states ajoo and bjoo are sigmoid functions of the membrane potential xoo(v) = 1+ 1 e-~'" ()' v-v", (x=aj,bj ), (3) where Vx and Sx represent the threshold and slope of the steady state curve, respectively. The rate coefficients ka ? (v) and kb ? (v) have the voltage dependence [11] ]] k x (v ) -- -1 cosh sx( v - v x) , tx 2 where tx is the time constant. 3 (4) ERROR GRADIENT CALCULUS Our goal is to minimize the average error over a cycle with period T: E= ~ iT ~(v(t) - v*(t?2dt, (5) where v*(t) is the target membrane potential trajectory. We first derive the gradient of E with respect to the model parameters ( ... , Oi, ... ) = ( ... , 9j, va], Saj' taj' ... ). In studies of recurrent neural networks, it has been shown that teacher forcing is very important in training autonomous oscillation patterns [4, 6, 12, 13]. In H-H type models, teacher forcing drives the activation and inactivation variables by the target membrane potential v*(t) instead of vet) as follows. x = kx(v*(t?? (-x +xoo(v*(t?) (x = aj,bj ). (6) We use (6) in place of (2) during training. The effect of a small change in a parameter Oi of a dynamical system x = F(X; ... , Oi, ... ), (7) is evaluated by the variation equation . of y = oX y of + OOi' (8) which is an n-dimensional linear system with time-varying coefficients [6, 12]. In general, this variation calculus requires O(n 2 ) arithmetics for each parameter. However, in the case of H-H model with teacher forcing, (8) reduces to a first or second order linear system. For example, the effect of a small change in the maximum conductance 9j on the membrane potential v is estimated by (9) A Hodgkin-Huxley Type Neuron Model That Learns Slow Non-Spike Oscillation where GCt) = l:k 9kak(t)Pkbk(t)Qk is the total membrane conductance. Similarly, the effect of the activation threshold va] is estimated by the equations GiJ = -G(t)y - 9jpjaj(t)pj- 1 bj (t)Qj(v(t) - Vrj) Z, Z = -kaj(t) [z + 8;j {aj(t) + ajoo(t) - 2aj(t) aj oo(t)}] . (10) The solution yet) represents the perturbation in v at time t, namely 8;b~). The error gradient is then given by aE 1 fT .. av(t) OBi = T Jo (v(t) - v (t)) OBi dt. 4 (11) PARAMETER UPDATE Basically, we can use arbitrary gradient-based optimization algorithms, for example, simple gradient descent or conjugate gradient descent. The particular algorithm we used was a continuous-time version of gradient descent on normalized parameters. Because the parameters of a H-H type model have different physical dimensions and magnitudes, it is not appropriate to perform simple gradient descent on them. We represent each parameter by the default value Oi and the deviation Bi as below. (12) Then we perform gradient descent on the normalized parameters Bi . Instead of updating the parameters in batches, i.e. after running the model for T and integrating the error gradient by (11), we updated the parameters on-line using the running average of the gradient as follows. . Ta.D. o; = -.D.o, av(t) OBi - v (t)) OBi oBi' 1.. + T(v(t) Bi = -?.D. o, , (13) where Ta is the averaging time and ? is the learning rate. This on-line scheme was less susceptible to 2T-periodic parameter oscillation than batch update scheme and therefore we could use larger learning rates. 5 PARAMETER ESTIMATION OF A SPIKING MODEL First, we tested if a model with random initial parameters can estimate the parameters of another moqel by training with its membrane potential trajectories. The default parameters Bi of the model was set to match the original H-H model [10] (Table 1). Its membrane potential trajectories at five different levels of current injection (I = 0,15,30,45, and 60J..lA/cm 2 ) were used alternately as the target v*(t). We ran 100 trials after initializing Bi randomly in [-0.5,+0.5]. In 83 cases, the error became less than 1.3 m V rms after 100 cycles of training. Figure 2a is an example of the oscillation patterns of the trained model. The mean of the normalized 569 570 Doya, Selverston, and Rowat Table 1: Parameters of the spiking neuron model. Subscripts L, Na and K specifies leak, sodium and potassium currents, respectively. Constants: C=1J.lF/cm 2 , vNa=55mV, vK=-72mV, vL=-50mV, PNa=3, QNa=l, PK=4, QK=PL=qL=O, Llv=20mV, (=0.1, Ta = 5T. after learning mean s.d. -0.017 0.252 0.248 -0.002 0.006 0.033 -0.052 0.073 -0.103 0.154 0.012 0.202 0.140 -0.010 0.093 0.330 0.264 0.050 -0.021 0.136 -0.061 0.114 -0.073 0.168 ()i gL gNa VaNa SaNa taNa VbNa SbNa tbNa gK VaK SaK taK default 0.3 120.0 -36.0 0.1 0.5 -62.0 -0.09 12.0 40.0 -50.0 0.06 5.0 value iii mS/cm mS/cm 2 mV l/mV msec mV l/mV msec mS/cm 2 mV l/mV msec taX v[ saK vaK gK a_No [ IbNa sbNa vbNa b_Na[________ taNa saNa vaNa a_K [-------.....- gNa gL o 10 20 time (ms) (a) 30 gL gNa vaNa saNa taNa vbNasbNa IbNa gK vaK saK taK (b) Figure 2: (a) The trajectory of the spiking neuron model at I = 30J.lA/cm 2 ? v: membrane potential (-80 to +40 mY). a and b: activation and inactivation variables (0 to 1). The dotted line in v shows the target trajectory v*(t). (b) Covariance matrix of the normalized parameters Oi after learning. The black and white squares represent negative and positive covariances, respectively. A Hodgkin-Huxley Type Neuron Model That Learns Slow Non-Spike Oscillation Table 2: Parameters of the DG cell model. Constants: C=1J.lF/cm 2 , vA=-80mV , VH= -lOmV, vL=-50mV, PA=3, qA=l, PH=l, QH=PL=qL=O, ~v=20mV, (=0.1, Ta = 2T. iJ?t gL gA VaA SaA taA VbA SbA tllA gH VaH SaH taH 0.01 50 -12 0.04 7.0 -62 -0.16 300 0.1 -70 -0.14 3000 tuned (}i 0.025 41.0 -11.1 0.022 7.0 -76 -0.19 292 0.039 -75 .1 -0.11 4400 v[ mS cm mS/cm 2 mV 1/mV msec mV 1/mV msec mS/cm 2 mV 1/mV msec a~[ - --- b~[ '_H[ I_L ~ ~ """'" I _A 10000 20000 30000 40000 50000 tlme(msl Figure 3: Oscillation pattern of the DG cell model. v: membrane potential (-70 to -50 mY). a and b: activation and inactivation variables (0 to 1) . I: ionic currents (-1 to +1 pAlcm 2 ). parameters iii were nearly zero (Table 1) , which implies that the original parameter values were successfully estimated by learning . The standard deviation of each parameter indicates how critical its setting is to replicate the given oscillation patterns. From the covariance matrix of the parameters (Figure 2b), we can estimate the distribution of the solution points in the parameter space . 6 MODELING SLOW NON-SPIKE OSCILLATION Next we applied the algorithm to experimental data from the "DG cell" of the lobster stomatogastric ganglion [7]. An isolated DG cell oscillates endogenously with the acetylcholine agonist pilocarpine and the sodium channel blocker TTX. The oscillation period is 5 to 20 seconds and the membrane potential is approximately between -70 and -50 m V. From voltage-clamp data from other stomatogastric neurons [8], we assumed that A-current (potassium current with inactivation) [3] and H-current (hyperpolarization-activated slow inward current) are the principal active currents in this voltage range. The default parameters for these currents were taken from [2] (Table 2). 571 572 Doya, Selverston, and Rowat ionic currents ./ 2 ,,r .... .... .... 1 o ~' ~ W V ..- ../ ~ ~ ~ " If -2 -60 -40 -20 v 0 20 40 (mV) Figure 4: Current-voltage curves of the DG cell model. Outward current is positive. Figure 3 is an example of the model behavior after learning for 700 cycles. The actual output v of the model, which is shown in the solid curve, was very close to the target output v*(t), which is shown in the dotted curve. The bottom three traces show the ionic currents underlying this slow oscillation. Figure 4 shows the steady state I-V curves of three currents. A-current has negative conductance in the range from -70 to -40 m V. The resulting positive feedback on the membrane potential destabilizes a quiescent state. If we rotate the I-V diagram 180 degrees, it looks similar to the I-V diagram for the H-H model; the faster outward A-current in our model takes the role of the fast inward sodium current in the H-H model and the slower inward H-current takes the role of the outward potassium current. 7 DISCUSSION The results indicate that the gradient descent algorithm is effective for estimating the parameters of H-H type neuron models from membrane potential trajectories. Recently, an automatic parameter search algorithm was proposed by Bhalla and Bower [1]. They chose only the maximal conductances as free parameters and used conjugate gradient descent . The error gradient was estimated by slightly changing each of the parameters. In our approach, the error gradient was more efficiently derived by utilizing the variation equations. The use of teacher forcing and parameter normalization was essential for the gradient descent to work. In order for a neuron to be an endogenous oscillator, it is required that a fast positive feedback mechanism is balanced with a slower negative feedback mechanism. The most popular example is the positive feedback by the sodium current and the negative feedback by the potassium current in the H-H model. Another common example is the inward calcium current counteracted by the calcium dependent outward potassium current. We found another possible combination of positive and negative feedback with the help of the algorithm: the inactivation of the outward A-current and the activation of the slow inward H-current . A Hodgkin-Huxley Type Neuron Model That Learns Slow Non-Spike Oscillation Acknowledgements The authors thank Rob Elson and Thom Cleland for providing physiological data from stomatogastric cells. This study was supported in part by ONR grant N0001491-J-1720. References [1] U. S. Bhalla and J. M. Bower. Exploring parameter space in detailed single neuron models: Simulations of the mitral and granule cells of the olfactory bulb. Journal of Neurophysiology, 69:1948-1965, 1993. [2] F. Buchholtz, J. Golowasch, I. R. Epstein, and E. Marder. Mathematical model of an identified stomatogastric ganglion neuron. Journal of Neurophysiology, 67:332-340, 1992. [3] J. A. Connor, D. Walter, and R. McKown. Neural repetitive firing, modifications of the Hodgkin-Huxley axon suggested by experimental results from crustacean axons. Biophysical Journal, 18:81-102, 1977. [4] K. Doya. Bifurcations in the learning of recurrent neural networks. In Proceedings of 1992 IEEE International Symposium on Circuits and Systems, pages 6:2777-2780, San Diego, 1992. [5] K. Doya and A. I. Selverston. A learning algorithm for Hodgkin-Huxley type neuron models. In Proceedings of IJCNN'93, pages 1108-1111, Nagoya, Japan, 1993. [6] K. Doya and S. Yoshizawa. Adaptive neural oscillator using continuous-time back-propagation learning. Neural Networks, 2:375-386, 1989. [7] R. C. Elson and A. I. Selverston. Mechanisms of gastric rhythm generation in the isolated stomatogastric ganglion of spiny lobsters: Bursting pacemaker potential, synaptic interactions, and muscarinic modulation. Journal of Neurophysiology, 68:890-907, 1992. [8] J. Golowasch and E. Marder. Ionic currents of the lateral pyloric neuron of stomatogastric ganglion of the crab. Journal of Neurophysiology, 67:318-331, 1992. [9] B. Hille. Ionic Channels of Excitable Membranes. Sinauer, 1992. [10] A. L. Hodgkin and A. F. Huxley. A quantitative description of membrane currents and its application to conduction and excitation in nerve. Journal of Physiology, 117:500-544, 1952. [11] H. Lecar, G. Ehrenstein, and R. Latorre. Mechanism for channel gating in excitable bilayers. Annals of the New York Academy of Sciences, 264:304-313, 1975. [12] P. F. Rowat and A.I. Selverston. Learning algorithms for oscillatory networks with gap junctions and membrane currents. Network, 2:17-41, 1991. [13] R. J. Williams and D. Zipser. Gradient based learning algorithms for recurrent connectionist networks. Technical Report NU-CCS-90-9, College of Computer Science, Northeastern University, 1990. 573
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Learning Mackey-Glass from 25 examples, Plus or Minus 2 Mark Plutowski? Garrison Cottrell? Halbert White?? Institute for Neural Computation *Department of Computer Science and Engineering **Department of Economics University of California, San Diego La J oHa, CA 92093 Abstract We apply active exemplar selection (Plutowski &. White, 1991; 1993) to predicting a chaotic time series. Given a fixed set of examples, the method chooses a concise subset for training. Fitting these exemplars results in the entire set being fit as well as desired. The algorithm incorporates a method for regulating network complexity, automatically adding exempla.rs and hidden units as needed. Fitting examples generated from the Mackey-Glass equation with fractal dimension 2.1 to an rmse of 0.01 required about 25 exemplars and 3 to 6 hidden units. The method requires an order of magnitude fewer floating point operations than training on the entire set of examples, is significantly cheaper than two contending exemplar selection techniques, and suggests a simpler active selection technique that performs comparably. 1 Introduction Plutowski &. White (1991; 1993), have developed a method of active selection of training exemplars for network learning. Active selection uses information about the state of the network when choosing new exemplars. The approach uses the statistical sampling criterion Integrated Squared Bias (ISB) to derive a greedy selection method that picks the training example maximizing the decrement in this measure. (ISB is a special case of the more familiar Integrated Mean Squared Error in the case that noise variance is zero.) We refer to this method as A.ISB. The method automatically regulates network complexity by growing the network as necessary 1135 1136 Plutowski, Cottrell, and White to fit the selected exemplars, and terminates when the model fits the entire set of available examples to the desired accuracy. Hence the method is a nonparametric regression technique. In this paper we show that the method is practical by applying it to the Mackey-Glass time series prediction task. We compare AISB with the method of training on all the examples. AIS8 consistently learns the time series from a small subset of the available examples, finding solutions equivalent to solutions obtained using all of the examples. The networks obtained by AISB consistently perform better on test data for single step prediction, and do at least as well at iterated prediction, but are trained at much lower cost . Having demonstra.ted that this particular type of exemplar selection is worthwhile, we compare AISE with three other exemplar selection methods which are easier to code and cost less to compute. We compare the total cost of training, as well as the size of the exemplar sets selected. One of the three contending methods was suggested by the AISB algorithm, and is also an active selection technique, as its calculation involves the network state. Among the four exemplar selection methods, we find that the two active selection methods provide the greatest computational savings and select the most concise training sets. 2 The Method We are provided with a set of N "candidate" examples of the form (Zi, g(zd) . Given g, we can denote this as x N . Let 1(?, w) denote the network function parameterized by weights w. For a particular subset of the examples denoted x n , let Wn = Wn (zn) minimize Let w? be the "best" set of weights, which minimizes where IJ is the distribution over the inputs. Our objective is to select a subset zn of zN such that n < N, while minimizing J(/(z, wn ) - I(z, w?))21J(dz). Thus, we desire a subset representative of the whole set. We choose the zn C zN giving weights Wn that minimize the Integrated Squared Bias (ISB): (1) We generate zn incrementally. Given a candidate example Zn+l, let zn+l = (zn, Zn+l). Selecting Zl optimally with respect to (1) is straightforward. Then given zn minimizing ISB(zn), we opt to select Zn+l E zN maximizing ISB(zn)ISB(xn+1). Note that using this property for Zn+1 will not necessarily deliver the globally optimal solution. Nevertheless, this approach permits a computationally feasible and attractive method for sequential selection of training examples. Learning Mackey-Glass from 25 Examples, Plus or Minus 2 Choosing Zn+l to maximize this decrement directly is expensive. We use the following simple approximation (see Plutowski &- White, 1991) for justification): Given zn, select Zn+l E argmaxzn+l~ISB(xn+llzn), where N 6ISB(x n+llz n ) = 6W n+l' L V w!(Zi, wn)(g(zd - !(Zi, w n ?, i=l and n H(zn ,wn ) = LV w!(Zj, wn)Vw!(Zi, w n }' . i=l In practice we approximate H appropriately for the task at hand. Although we arrive at this criterion by making use of approximations valid for large n, this criterion has an appealing interpretation as picking the single example having individual error gradient most highly correlated with the average error gradient of the entire set of examples. Learning with this example is therefore likely to be especially informative. The 6ISB criterion thus possesses heuristic appeal in training sets of any size. 3 The Algorithm Before presenting the algorithm we first explain certain implementation details. We integrated the ~I SB criterion with a straightforward method for regulating network complexity. We begin with a small network and an initial training set composed of a single exemplar. When a new exemplar is added, if training stalls, we randomize the network weights and restart training. After 5 stalls, we grow the network by adding another unit to each hidden layer. Before we can select a new exemplar, we require that the network fit the current training set "sufficiently well." Let en(zm) measure the rmse (root mean squared error) network fit over m arbitrary examples zm when trained on xn. Let Fn E ~+ denote the rmse fit we require over the current set of n exemplars before selecting a new one. Let FN E ~+ denote the rmse fit desired over all N examples. (Our goal is en(zN) < FN.) It typically suffices to set Fn = FN, that is, to train to a fit over the exemplars which is at least as stringent as the fit desired over the entire set (normalized for the number of exemplars.) However,. active selection sometimes chooses a new exemplar "too close" to previously selected exemplars even when this is the case. This is easy to detect, and in this case we reject the new exemplar and continue with training. We use an "exemplar spacing" parameter d to detect when a new exemplar is too close to a previous selection. Two examples Xi and Xi are "close" in this sense if they are within Euclidean distance d, and if additionally Ig(Zi) - g(xi)1 < FN. The additional condition allows the new exemplar to be accepted even when it is close to a previous selection in input space, provided it is sufficiently far away in the output space. In our experiments, the input and output space are of the same scale, so we set d FN. When a new selection is too close to a current exemplar, we reject the = 1137 1138 Plutowski, Cottrell, and White new selection, reduce Fn by 20%, and continue training, resetting Fn = FN when a subsequent selection is appended to the current training set. We now outline the algorithm: Initialize: ? Specify user-set parameters: initial network size, the desired fit FN, the exemplar spacing parameter, and the maximum number of restarts . ? Select the first training set, xl = {xd. Set n 1 and Fn FN. Train the 1 network on xl until en{x ) 5 Fn. = = While(en(xN) > FN) { Select a new exemplar, Zn+l E x N , maximizing 6.ISB. H (Zn+l is "too close" to any Z E zn) { Reject Zn+l Reduce Fn by 20%. } Else { Append Zn+l to zn. Increment n. Set Fn = FN . } While(en(zn} > Fn) { Train the network on the current training set zn, restarting and growing as necessary. }} 4 The Problem We generated the data from the Mackey-Glass equation (Mackey &, Glass, 1977), with T 17, a = 0.2, and b 0.1. We integrated the equation using fourth order Runge-Kutta with step size 0.1, and the history initialized to 0.5. We generated two data sets. We iterated the equation for 100 time steps before beginning sampling; this marks t = O. The next 1000 time steps comprise Data Set 1. We generated Data Set 2 from the 2000 examples following t 5000. = = = We used the standard feed-forward network architecture with [0, 1] sigmoids and one or two hidden layers. Denoting the time series as z(t}, the inputs were z(t), x(t 6}, z(t - 12), z(t - 18), and the desired output is z(t + 6) (Lapedes &, Farber, 1987). We used conjugate gradient optimization for all of the training runs. The line search routine typically required 5 to 7 passes through the data set for each downhill step, and was restricted to use no more than 10. Initially, the single hidden layer network has a single hidden unit, and the 2 hidden layer network has 2 units per hidden layer. A unit is added to each hidden layer when growing either architecture. All methods use the same growing procedure. Thus, other exemplar selection techniques are implemented by modifying how the next training set is obtained at the beginning of the outer while loop. The method of using all the training examples uses only the inner while loop. In preliminary experiments we evaluated sensitivity of 6.ISB to the calculation of H. We compared two ways of estimating H, in terms of the number of exemplars Learning Mackey-Glass from 25 Examples, Plus or Minus 2 selected and the total cost of training. The first approach uses the diagonal terms of H (Plutowski &. White, 1993). The second approach replaces H with the identity matrix. Evaluated over 10 separate runs, fitting 500 examples to an rmse of 0.01, ~ISB gave similar results for both approaches, in terms of total computation used and the number of exemplars selected. Here, we used the second approach. 5 The Comparisons We performed a number of experiments, each comparing the ~ISB algorithm with competing training methods. The competing methods include the conventional method of using all the examples, henceforth referred to as "the strawman," as well as three other data selection techniques. In each comparison we denote the cost as the total number of floating point multiplies (the number of adds and divides is always proportional to this count). For each comparison we ran two sets of experiments. The first compares the total cost of the competing methods as the fit requirement is varied between 0.02, 0.015, and 0.01, using the first 500 examples from Data Set 1. The second compares the cost as the size of the "candidate" set (the set of available examples) is varied using the first 500, 625, 750, 875, and 1000 examples of Data Set I, and a tolerance of 0.01. To ensure that each method is achieving a comparable fit over novel data, we evaluated each network over a test set. The generalization tests also looked at the iterated prediction error (IPE) over the candidate set and test set (Lapedes &. Farber, 1987). Here we start the network on the first example from the set, and feed the output back into the network to obtain predictions in multiples of 6 time steps. Finally, for each of these we compare the final network sizes. Each data point reported is an average of five runs. For brevity, we only report results from the two hidden layer networks. 6 Comparison With Using All the Examples We first compare ~ISB with the conventional method of using all the available examples, which we will refer to as "the strawman." For this test, we used the first 500 examples of Data Set 1. For the two hidden layer architecture, each method required 2 units per hidden layer for a fit of 0.02 and 0.015 rmse, and from 3 to 4 (typically 3) units per hidden layer for a fit of 0.01 rmse. While both methods did quite well on the generalization tests, ~ISB clearly did better. Whereas the strawman networks do slightly worse on the test set than on the candidate set, networks trained by ~ISB tended to give test set fits close to the desired (training) fit. This is partially due to the control flow of the algorithm, which often fits the candidate set better than necessary. However, we also observed ~ISB networks exhibited a test set fit better than the candidate set fit 7 times over these 15 training runs. This never occurred over any of the strawman runs. Overall, ~ISB networks performed at least as well as the strawman with respect to IPE. Figure 1a shows the second half of Data Set 1, which is novel to this network, plotted along with the iterated prediction of a ~ISB network to a fit of 0.01, giving an IPE of 0.081 rmse, the median IPE observed for this set of five runs. Figure 1b shows the iterated prediction over the first 500 time steps of Data Set 2, which is 1139 1140 Plutowski, Cottrell, and White 4500 time steps later than the training set. The IPE is 0.086 rmse, only slightly worse than over the "nearer" test set. This fit required 22 exemplars. Generalization tests were excellent for both methods, although t1ISB was again better overall. t1ISB networks performed better on Data Set 2 than they did on the candidate set 9 times out of the 25 runs; this never occurred for the strawman. These effects demand closer study before using them to infer that data selection can introduce a beneficial bias. However, they do indicate that the t1ISB networks performed at least as well as the strawman, ensuring the validity of our cost comparisons. Figure 1: Itell.ted prediction for a 2 hidden layer network trained to 0.01 rmae over the first 500 time steps of Data Set 1. The dotted line gives the network prediction; the solid line is the target time series. Figure la, on the left, is over the next (consecutive) 500 time steps of Data Set 1, with IPE = 0.081 rmse. Figure Ib, on the right, is over the first 500 steps of Data Set 2, with IPE = 0.086 rmse. This network was typical, being the median IPE of 5 runs. Figure 2a shows the average total cost versus required fit FN for each method. The strawman required 109, 115, and 4740 million multiplies for the respective tolerances, whereas t1ISB required 8, 28, and 219 million multiplies, respectively. The strawman is severely penalized by a tighter fit because growing the network to fit requires expensive restarts using all of the examples. Figure 2b shows the average total cost versus the candidate set sizes. One reason for the difference is that t1ISB tended to select smaller networks. For candidate sets of size 500, 625, 750 and 875, each method typically required 3 units per hidden layer, occasionally 4. Given 1000 examples, the strawman selected networks larger than 3 hidden units per layer over twice as often as t1ISB. t1ISB also never required more than 4 hidden units per layer, while the strawman sometimes required 6. This suggests that the growing technique is more likely to fit the data with a smaller network when exemplar selection is used. Cost Cost 7000 6000 5000 4000 3000 2000 1000 35000 30000 25000 20000 15000 10000 5000 0.02 Figure 2: Cost (in millions of multiplies) oftraining t1ISB, compared to the Strawman. Figure 2a on the left gives total cost versus the desired fit, and Figure 2b on the right gives total cost versus the number of ca.ndidate examples. Each point is the average of 5 runs; the error bars are equal in width to twice the standard deviation. Learning Mackey-Glass from 25 Examples, Plus or Minus 2 7 Contending Data Selection Techniques The results above clearly demonstrate that exemplar selection can cut the cost of training dramatically. In what follows we compare ~ISB with three other exemplar selection techniques. Each of these is easier to code and cheaper to compute, and are considerably more challenging contenders than the strawman. In addition to comparing the overall training cost we will also evaluate their data compression ability by comparing the size of the exemplar sets each one selects. We proceed in the same manner as with ~ISB, sequentially growing the training set as necessary, until the candidate set fit is as desired. Two of these contending techniques do not depend upon the state of the network, and are therefore are not "Active Selection" methods. Random Selection selects an exampk randomly from the candidate set, without replacement, and appends it to the current exemplar set. Uniform Grid exploits the time series representation of our data set to select training sets composed of exemplars evenly spaced at regular intervals in time. Note that Uniform Grid does. not append a single exemplar to the training set, rather it selects an entirely new set of exemplars each time the training set is grown. Note further that this technique relies heavily upon the time series representation. The problem of selecting exemplars uniformly spaced in the 4 dimensional input space would be much more difficult to compute. The third method, "Maximum Error," was suggested by the ~ISB algorithm, and is also an Active Selection technique, since it uses the network in selecting new exemplars. Note that the error between the network and the desired value is a component of the tiISB criterion. ~ISB need not select an exemplar for which network error is maximum, due to the presence of terms involving the gradient of the network function. In comparison, the Maximum Error method selects an exemplar maximizing network error, ignoring gradient information entirely. It is cheaper to compute, typically requiring an order of magnitude fewer multiplies in overhead cost as compared to tiISB. This comparison will test, for this particular learning task, whether the gradient information is worth its additional overhead. 7.1 Comparison with Random Selection Random Selection fared the worst among the four contenders. However, it still performed better overall than the strawman method. This is probably because the cost due to growing is cheaper, since early on restarts are performed over small training sets. As the network fit improves, the likelihood of randomly selecting an informative exemplar decreases, and Random Selection typically reaches a point where it adds exemplars in rapid succession, often doubling the size of the exemplar set in order to attain a slightly better fit. Random Selection also had a very high variance in cost and number of exemplars selected. 7.2 Comparison with Uniform Grid and Maximum Error Uniform Grid and Maximum Error are comparable with tiISB in cost as well as in the size of the selected exemplar sets. Overall, tiISB and Maximum Error performed about the same, with Uniform Grid finishing respectably in third place. Maximum Error was comparable to ~ISB in generalization also, doing better on the test set than on the candidate set 10 times out of 40, whereas tiISB did so a 1141 1142 Plutowski, Cottrell, and White total of 16 times . This occurred only 3 times out of 40 for Uniform Grid. Figure 3a shows that Uniform Grid requires more exemplars at all three tolerances, whereas ~ISB and Maximum Errorselect about the same number. Figure 3b shows that Uniform Grid typically requires about twice as many exemplars as the other two. Maximum Error and ~ISB selected about the same number of exemplars, typically selecting about 25 exemplars, plus or minus two. n 60 Uniforrr 50 50 40 40 30 30 20 10 Max Er De ta 0.02 20 ISB 10 0.015 0.02 n ri 1-- I * ~ Delt . . ISB Max Error Uniforn ~ ~ 750 875 -t !, RInse 500 625 1000 N Figure 3: Number of examples selected by three contending selection techniques: Uniform, ~ISB (diamonds) and Max Error (triangles.) Figure 3a on the left gives number of examples selected versus the desired fit, and Figure 3b on the right is versus the number of candidate examples. The two Active Selection techniques selected about 25 exemplars, ?2. Each point is the average of 5 runSi the error bars are equal in width to twice the standard deviation . The datapoints for ~I SB and Max Error are shifted slightly in the graph to make them easier to distinguish. 8 Conclusions These results clearly demonstrate that exemplar selection can dramatically lower the cost of training. This particular learning task also showed that Active Selection methods are better overall than two contending exemplar selection techniques. ~I S B and Maximum Error consistently selected concise sets of exemplars, reducing the total cost of training despite the overhead associated with exemplar selection. This particular learning task did not provide a clear distinction between the two Active Selection techniques. Maximum Error is more attractive on problems of this scope even though we have not justified it analytically, as it performs about as well as ~ISB but is easier to code and cheaper to compute. Acknowledgements This work was supported by NSF grant IRI 92-03532. References Lapedes, Alan, and Robert Farber. 1987. "Nonlinear signal processing using neural networks. Prediction and system modelling." Los Alamos technical report LA-UR-87-2662. Mackey, M.C., and L. Glass. 1977. "Oscillation and chaos in physiological control systems." Science 197, 287. Plutowski, Mark E., and Halbert White. 1991. "Active selection of training examples for network learning in noiseless environments." Technical Report No. CS91-180, CSE Dept., UCSD, La Jolla, California. Plutowski, Mark E., and Halbert White. 1993. "Selecting concise training sets from clean data." To appear, IEEE Transactions on Neural Networks. 3, 1.
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Solvable Models of Artificial Neural Networks Sumio Watanabe Information and Communication R&D Center Ricoh Co., Ltd. 3-2-3, Shin-Yokohama, Kohoku-ku, Yokohama, 222 Japan [email protected] Abstract Solvable models of nonlinear learning machines are proposed, and learning in artificial neural networks is studied based on the theory of ordinary differential equations. A learning algorithm is constructed, by which the optimal parameter can be found without any recursive procedure. The solvable models enable us to analyze the reason why experimental results by the error backpropagation often contradict the statistical learning theory. 1 INTRODUCTION Recent studies have shown that learning in artificial neural networks can be understood as statistical parametric estimation using t.he maximum likelihood method [1], and that their generalization abilities can be estimated using the statistical asymptotic theory [2]. However, as is often reported, even when the number of parameters is too large, the error for the test.ing sample is not so large as the theory predicts. The reason for such inconsistency has not yet been clarified, because it is difficult for the artificial neural network t.o find the global optimal parameter. On the other hand, in order to analyze the nonlinear phenomena, exactly solvable models have been playing a central role in mathematical physics, for example, the K-dV equation, the Toda lattice, and some statistical models that satisfy the Yang- 423 424 Watanabe Baxter equation[3]. This paper proposes the first solvable models in the nonlinear learning problem. We consider simple three-layered neural networks, and show that the parameters from the inputs to the hidden units determine the function space that is characterized by a differential equation. This fact means that optimization of the parameters is equivalent to optimization of the differential equation. Based on this property, we construct a learning algorithm by which the optimal parameters can be found without any recursive procedure. Experimental result using the proposed algorithm shows that the maximum likelihood estimator is not always obtained by the error backpropagation, and that the conventional statistical learning theory leaves much to be improved. 2 The Basic Structure of Solvable Models Let us consider a function fc,w( x) given by a simple neural network with 1 input unit, H hidden units, and 1 output unit, H fc,w(x) = L CiIPw;{X), (I) i=1 where both C = {Ci} and w = {Wi} are parameters to be optimized, IPw;{x) is the output of the i-th hidden unit. We assume that {IPi(X) = IPw, (x)} is a set of independent functions in C H-class. The following theorem is the start point of this paper. Theorem 1 The H -th order differential equation whose fundamental system of solution is {IPi( x)} and whose H -th order coefficient is 1 is uniquely given by (Dwg)(x) =(_l)H H!H+l(g,1P1,1P2, .. ?,IPH) = 0, lVH(IP1, IP2, .. ?,IPH) (2) where ltVH is the H -th order Wronskian, IPH ( 1) IPH (2) 'PH (H-l) 'PI (H-l) 'P2 (H -1) IPH For proof, see [4]. From this theorem, we have the following corollary. Corollary 1 Let g(x) be a C H-class function. Then the following conditions for g(x) and w = {wd are equivalent. (1) There exists a set (2) (Dwg)(x) = O. C = {cd such that g{x) = E~l CjIPw;(x). Solvable Models of Artificial Neural Networks Example 1 Let us consider a case, !Pw;(x) = exp(WiX). H L Ci exp(WiX) g(x) = i=l is equivalent to {DH + P1D H- 1 + P2DH-2 + ... + PH }g(x) and a set {Pi} is determined from {Wi} by the relation, = 0, where D = (d/dx) H zH + Plz H- 1 + P2zH-2 + ... + PIl = II(z - Wi) ('Vz E C). i=l Example 2 (RBF) A function g(x) is given by radial basis functions, 11 g(x) =L Ci exp{ -(x - Wi)2}, i=l if and only if e- z2 {DIl + P1DIl-l + P2DIl-2 + ... + PIl }(e Z2 g(x)) = 0, where a set {Pi} is determined from {Wi} by the relation, 11 zll + Plz ll - 1 + P2zll-2 + ... + PII = II(z - 2Wi) ('Vz E C). i=l Figure 1 shows a learning algorithm for the solvable models. When a target function g( x) is given, let us consider the following function approximation problem. 11 g(x) = L Ci!Pw;(X) + E(X). (3) i=l Learning in the neural network is optimizing both {cd and {wd such that E( x) is minimized for some error function. From the definition of D w , eq. (3) is equivalent to (Dwg)(x) = (Dw?)(x), where the term (Dwg)(x) is independent of Cj. Therefore, if we adopt IIDwEIl as the error function to be minimized, {wd is optimized by minimizing IIDwgll, independently of {Cj}, where 111112 = J II(x)1 2dx. After IIDwgll is minimized, we have (Dw.g)(x) ~ 0, where w* is the optimized parameter. From the corollary 1, there exists a set {cn such that g(x) ~ L:ci!Pw~(x), where {en can be found using the ordinary least square method. 3 Solvable Models For a general function !Pw, the differential operator Dw does not always have such a simple form as the above examples. In this section, we consider a linear operator L such that the differential equation of L!pw has a simple form. Definition A neural network L: Cj!PWi (x) is called solvable ifthere exist functions a, b, and a linear operator L such that (L!pwJ(x) = exp{a{wj)x + b(wi)). The following theorem shows that the optimal parameter of the solvable models can be found using the same algorithm as Figure 1. 425 426 Watanabe H g(X) = L Ci ~ (x) +E(X) i=l equiv. to It is difficult optimize wi independently ?f ci t There exits C i s.t. =L H g(x) Dw g(x) = Dw E(X) i i=l Ci <P .(x) wi I Least Square Method =L <<P ~ II Dwg II :minimited - - W: optimized . -.-----1 . eqmv. q,* g(x) 0 I c i : optimized H g(x) i=l .(x) wi Figure 1: St.ructure of Solvable Models Theorem 2 For a solvable model of a neuml network, the following conditions are equivalent when Wi "# Wj (i "# j). = E:!:l Ci<t'w;(X). that {DH + P1D H- 1 + P2DH-2 + ... + PH }(Lg)(x) = (1) There exist both {cd and {wd such that g(x) (2) There exists {Pi} such O. (3) For arbitmry Q > 0, we define a sequence {Yn} by Yn = (Lg)(nQ). Then, there exists {qd such that Yn + qlYn-l + q2Yn-2 + ... + qHYn-H = o. Note that IIDwLgl12 is a quadratic form for {pd, which is easily minimized by the least square method. En IYn + qlYn-l + ... + QHYn_HI 2 is also a quadratic form for {Qd? Theorem 3 The sequences { wd, {pd, and {qd in the theorem 2 have the following relations. H z H+ PIZ H-l+ P2 ZH-2+ ... + PH IT(z - a(wi)) ('Vz E C), i=l H zH + qlzH-l + q2zH-2 + ... + qH = IT(z - exp(a(Wi)Q)) ('Vz E C). i=l For proofs of the above theorems, see [5]. These theorems show that, if {Pi} or Solvable Models of Artificial Neural Networks {qd is optimized for a given function g( x), then {a( wd} can be found as a set of solutions of the algebraic equation. Suppose that a target function g( x) is given. Then, from the above theorems, the globally optimal parameter w* = {wi} can be found by minimizing IIDwLgll independently of {cd. Moreover, if the function a(w) is a one-to-one mapping, then there exists w* uniquely without permutation of {wi}, if and only if the quadratic form II{DH + P1 DH-1 + ... + PH }g1l2 is not degenerate[4]. (Remark that, if it is degenerate, we can use another neural network with the smaller number of hidden units.) Example 3 A neural network without scaling H fb,c(X) = L CiU(X + bi), (4) i=1 is solvable when (F u)( x) I- 0 (a.e.), where F denotes the Fourier transform. Define (Fg)(x)/(Fu)(x), then, it follows that a linear operator L by (Lg)(x) = H (Lfb,c)(X) =L Ci exp( -vCi bi x). (5) i=l By the Theorem 2, the optimal {bd can be obtained by using the differential sequential equation. Example 4 (MLP) 01' the A three-layered perceptron H ~ fb,c(X) = L Ci tan -1 ( X i=1 + bi a . ), (6) z is solvable. Define a linear operator L by (Lg)( x) = x . (F g)( x), then, it follows that H (Lfb,c)(X) =L Ci exp( -(a.i + yCi bdx + Q(ai, bd) (x ~ 0). (7) i=1 where Q( ai, bi ) is some function of ai and bj. Since the function tan -1 (x) is monotone increasing and bounded, we can expect that a neural network given by eq. (6) has the same ability in the function approximation problem as the ordinary three-layered perceptron using the sigmoid function, tanh{x). Example 5 (Finite Wavelet Decomposition) H fb,c(X) =L Cju( x = (d/dx)n(1/(l + x 2 ? ), (8) a.j i=l is solvable when u(x) + bj A finite wavelet decomposition (n ~ 1). Define a lineal' operator L by (Lg)(x) = x- n . (Fg)(x) then, it follows that H (Lfb,c)(X) =L i=1 Ci exp( -(a.j + vCi bi)x + P(a.j, bi? (x ~ 0). (9) 427 428 Watanabe where f3(ai, bi) is some function of ai and bi. Note that O"(x) is an analyzing wavelet, and that this example shows a method how to optimize parameters for the finite wavelet decomposition. 4 Learning Algorithm We construct a learning algorithm for solvable models, as shown in Figure 1- < <Learning Algorithm> > (0) A target function g(x) is given. (1) {Ym} is calculated by Ym = (Lg)(mQ). (2) {qi} is optimized by minimizing L:m IYm + Q1Ym-l + Q2Ym-2 + ... + QHYm_HI 2. (3) {Zi} is calculated by solving zH + q1zH-1 + Q2zH-2 + ... + QH = 0. (4) {wd is determined by a( wd = (l/Q) log Zi. (5) {cd is optimized by minimizing L:j(g(Xj) - L:i Cj<;?w;(Xj?2. Strictly speaking, g(x) should be given for arbitrary x. However, in the practical applicat.ion, if the number of training samples is sufficiently large so that (Lg)( x) can be almost precisely approximated, this algorithm is available. In the third procedure, to solve the algebraic equation, t.he DKA method is applied, for example. 5 5.1 Experimental Results and Discussion The backpropagation and the proposed method For experiments, we used a probabilit.y density fUllction and a regression function given by Q(Ylx) h(x) 1 ((y - h(X?2) exp - J27r0"2 1 -3" tan 20"2 -1 X - 1/3 1 -1 X - 2/3 ( 0.04 ) + 6" tan ( 0.02 ) where 0" = 0.2. One hundred input samples were set at the same interval in [0,1), and output samples were taken from the above condit.ional distribution. Table 1 shows the relation between the number of hidden units, training errors, and regression errors. In the table, the t.raining errol' in the back propagation shows the square error obtained after 100,000 training cycles. The traiuing error in the proposed method shows the square errol' by the above algorithm. And the regression error shows the square error between the true regression curve h( x) and the estimated curve. Figure 2 shows the true and estimated regression lines: (0) the true regression line and sanlple points, (1) the estimated regression line with 2 hidden units, by the BP (the error backpropagation) after 100,000 training cycles, (2) the estimated regression line with 12 hidden units, by the BP after 100,000 training cycles, (3) the Solvable Models of Artificial Neural Networks Table 1: Training errors and regression errors Hidden Units 2 4 6 8 10 12 Backpropagation Training Regression 0.7698 4.1652 3.3464 0.4152 0.4227 3.3343 0.4189 3.3267 3.3284 0.4260 3.3170 0.4312 Proposed Method Training Regression 4.0889 0.3301 3.8755 0.2653 3.5368 0.3730 3.2237 0.4297 3.2547 0.4413 3.1988 0.5810 estimated line with 2 hidden units by the proposed method, and (4) the estimated line with 12 hidden units by the proposed method. 5.2 Discussion When the number of hidden units was small, the training errors by the BP were smaller, but the regression errors were larger. Vlhen the number of hidden units was taken to be larger, the training error by the BP didn't decrease so much as the proposed method, and the regression error didn't increase so mnch as the proposed method. By the error back propagation , parameters dichl 't reach the maximum likelihood estimator, or they fell into local minima. However, when t.he number of hidden units was large, the neural network wit.hout. t.he maximum likelihood estimator attained the bett.er generalization. It seems that paramet.ers in the local minima were closer to the true parameter than the maximum likelihood estimator. Theoretically, in the case of the layered neural networks, the maximum likelihood estimator may not be subject to asymptotically normal distribution because the Fisher informat.ion matrix may be degenerate. This can be one reason why the experimental results contradict the ordinary st.atistical theory. Adding such a problem, the above experimental results show that the local minimum causes a strange problem. In order to construct the more precise learning t.heory for the backpropagation neural network, and to choose the better parameter for generalization, we maybe need a method to analyze lea1'1ling and inference with a local minimum. 6 Conclusion We have proposed solvable models of artificial neural networks, and studied their learning structure. It has been shown by the experimental results that the proposed method is useful in analysis of the neural network generalizat.ion problem. 429 430 Watanabe ........'..' : .. ~--------. '. H : the number of hidden units .... .'" ".' ... ' .. t.he t.raining error E"eg : the regression error Etrain : "0 .. (0) True Curve and Samples. Sample error sum = 3.6874 . ., ...... . . "0 e" ~ ....... ~ ..: ...........:......::::.. . "0, : ..: .... "... ". e" e " ' .. '. ... ' .' . '.. (1) BP after 100,000 cycles H = 2, Etrain = 4.1652, E"eg = 0.7698 . . . ... ....." : . . ,'. .. .. '.' . ..... ? ? ' . 0" (2) TIP aft.er 100,000 cycles H = 12, E Ir?a;" = 3.3170, E"eg = 0.4312 . ,". .. ' ' (3) Proposed Method H = 2, Etrain = 4.0889, Ereg = 0.3301 ? ...... . .:'{: .. (4) Proposed Met.hod H = 12, E'm;" = 3.1988, Ereg = 0.5810 Figure 2: Experimental Results References [I] H. White. (1989) Learning in artificial neural networks: a statistical perspective. Neural Computation, 1, 425-464. [2] N.Murata, S.Yoshizawa, and S.-I.Amari.(1992) Learning Curves, Model Selection and Complexity of Neural Networks. Adlla:nces in Neural Information Processing Systems 5, San Mateo, Morgan Kaufman, pp.607-614. [3] R. J. Baxter. (1982) Exactly Solved Models in Statistical Mechanics, Academic Press. [4] E. A. Coddington. (1955) Th.eory of ordinary differential equations, the McGrawHill Book Company, New York. [5] S. Watanabe. (1993) Function approximation by neural networks and solution spaces of differential equations. Submitted to Neural Networks.
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Computational Elements of the Adaptive Controller of the Human Arm Reza Shadmehr and Ferdinando A. Mussa-Ivaldi Dept . of Brain and Cognitive Sciences M. I. T ., Cambridge , MA 02139 Email : [email protected] , sandro@ai .mit.edu Abstract We consider the problem of how the CNS learns to control dynamics of a mechanical system. By using a paradigm where a subject's hand interacts with a virtual mechanical environment , we show that learning control is via composition of a model of the imposed dynamics. Some properties of the computational elements with which the CNS composes this model are inferred through the generalization capabilities of the subject outside the training data. 1 Introduction At about the age of three months, children become interested in tactile exploration of objects around them. They attempt to reach for an object , but often fail to properly control their arm and end up missing their target. In the ensuing weeks, they rapidly improve and soon they can not only reach accurately, they can also pick up the object and place it. Intriguingly, during this period of learning they tend to perform rapid, flailing-like movements of their arm, as if trying to "excite" the plant that they wish to control in order to build a model of its dynamics. From a control perspective , having a model of the arm's skeletal dynamics seems necessary because of the relatively low gain of the fast acting feedback system in the spinal neuro-muscular controllers (Crago et al. 1976), and the long delays in transmission of sensory information to the supra-spinal centers. Such a model could be used by the CNS to predict the muscular forces that need to be produced in order to move the arm along a desired trajectory. Yet, this model by itself is not sufficient 1077 1078 Shadmehr and Mussa-Ivaldi for performing a contact task because most objects which our hand interacts with change the arm's dynamics significantly. We are left with a situation in which we need to be able to quickly acquire a model of an object's dynamics so that we can incorporate it in the control system for the arm. How we learn to construct a model of a dynamical system and how our brains represent the composed model are the subjects of this research. 2 Learning Dynamics of a Mechanical System To make the idea behind learning dynamics evident, consider the example of controlling a robotic arm. The arm may be seen as an inertially dominated mechanical admitance, accepting force as input and producing a change in state as its output: q = H(q)-l (F - C(q, q)) (1) where q is the configuration of the robot, H is the inertia tensor, F is the input force from some controllable source (e.g., motors), and C is the coriolis/centripetal forces. In learning to control the arm, i.e., having it follow a certain state trajectory or reach a final state, we form a model which has as its input the desired change in the state of the arm and receive from its output a quantity representing the force that should be produced by the actuators. Therefore, what needs to be learned is a map from state and desired changes in state to force: iJ(q, q, iid) = if(q)qd + C(q, q) (2) Combine the above model with a simple PD feedback system, F = iJ + if K(q - qd) + if B(q - qd) and the dynamics of the system in Eq. (1) can now be written in terms of a new variable s = q - qd, i.e., the error in the trajectory. It is easy to see that if we have if ~ Hand C ~ C, and if J( and B are positive definite, then s will be a decreasing function of time, i.e., the system will be globally stable. Learning dynamics means forming the map in Eq. (2). The computational elements which we might use to do this may vary from simple memory cells that each have an address in the state space (e.g., Albus 1975, Raibert & Wimberly 1984, Miller et al. 1987), to locally linear functions restricted to regions where we have data (Moore & Atkeson 1994), to sigmoids (Gomi & Kawato 1990) and radial basis functions which can broadly encode the state space (Botros & Atkeson 1991). Clearly, the choice that we make in our computational elements will affect how the learned map will generalize its behavior to regions of the state space outside of the training data. Furthermore, since the task is to learn dynamics of a mechanical system (as opposed to, for example, dynamics of a financial market), certain properties of mechanical systems can be used to guide us in our choice for the computational elements. For example, the map from states to forces for any mechanical system can be linearly parameterized in terms of its mass properties (Slotine and Li, 1991). In an inertially dominated system (like a multi-joint arm) these masses may be unknown, but the fact that the dynamics can be linearized in terms of the unknowns makes the task of learning control much simpler and orders of magnitude faster than using, for example, an unstructured memory based approach. Computational Elements of the Adaptive Controller of the Human Arm J ji f /i t I~ --.J B Lfl 1. sec ci 2.5 . ,~ .. -., ..." . ,' ..... . "C c ~ Lfl!.'! 1.sec o Figure 1: Dynamics of a real 2 DOF robot was learned so to produce a desired trajectory. A: Schematic of the robot. The desired trajectory is the quarter circle. Performance of a PD controller is shown by the gray line, as well as in B, where joint trajectories are drawn: the upper trace is the shoulder joint and the lower trace is the elbow joint. Desired joint trajectory is solid line, actual trajectory is the gray line. C: Performance when the PD controller is coupled with an adaptive model. D: Error in trajectory. Solid line is PD, Gray line is PD+adaptation. To illustrate this point, consider the task of learning to control a real robot arm. Starting with the assumption that the plant has 2 degrees of freedom with rotational joints, inertial dynamics of Eq. (2) can be written as a product of a known matrix-function of state-dependent geometric transformations Y, and an unknown (but constant) vector a, representing the masses, center of masses, and link lengths: D( q , q, qd) = Y (q, q, qd) a . The matrix Y serves the function of referring the unknown masses to their center of rotation and is a geometric transformation which can be derived from our assumption regarding the structure of the robot. It is these geometric transformations that can guide us in choosing the computational elements for encoding the sensory data (q and q). We used this approach to learn to control a real robot. The adaptation law was derived from a Lyapunov criterion, as shown by Slotine and Li (1991): ~ = _yT (q, q, qd) (q - qd(t) +q- qd(t)) The system converged to a very low trajectory tracking error within only three periods of the movement (Fig. 1). This performance is achieved despite the fact that our model of dynamics ignores frictional forces, noise and delay in the sensors, and dynamics of the actuators. In contrast, using a sigmoid function as the basic com- 1079 1080 Shadmehr and Mussa-Ivaldi putational element of the map and training via back-propagation led to comparable levels of performance in over 4000 repetitions of the training data (Shadmehr 1990) . The difference in performance of these two approaches was strictly due to the choice of the computational elements with which the map of Eq. (2) was formed. Now consider the task of a child learning dynamics of his arm, or that of an adult picking up a hammer and pounding a nail. We can scarcely afford thousands of practice trials before we have built an adequate model of dynamics. Our proposal is that because dynamics of mechanical systems are distinctly structured, perhaps our brains also use computational elements that are particularly suited for learning dynamics of a motor task (as we did in learning to control the robot in Fig. 1). How to determine the structure of these elements is the subject of the following sections. 3 A Virtual Mechanical Environment To understand how humans represent learned dynamics of a motor task, we designed a paradigm where subjects reached to a target while their hand interacted with a virtual mechanical environment. This environment was a force field produced by a manipulandum whose end-effector was grasped by the subject. The field of forces depended only on the velocity of the hand, e.g., F = Bx, as shown in Fig. 2A, and significantly changed the dynamics of the limb: When the robot's motors were turned off (null field condition), movements were smooth, straight line trajectories to the target (Fig. 2B). When coupled with the field however, the hand 's trajectory was now significantly skewed from the straight line path (Fig. 2C). It has been suggested that in making a reaching movement, the brain formulates a kinematic plan describing a straight hand path along a smooth trajectory to the target (Morasso 1981) . Initially we asked whether this plan was independent of the dynamics of the moving limb. If so, as the subject practiced in the environment, the hand path should converge to the straight line, smooth trajectory observed in the null field . Indeed , with practice , trajectories in the force field did converge to those in the null field. This was quantified by a measure of correlation which for all eight subjects increased monotonically with practice time. If the CNS adapted to the force field by composing a model of its dynamics, then removal of the field at the onset of movement (un-be-known to the subject) should lead to discrepancies between the actual field and the one predicted by the subject's model, resulting in distorted trajectories which we call after-effects. The expected dynamics of these after-effects can be predicted by a simple model of the upper arm (Shadmehr and Mussa-Ivaldi 1994). Since the after-effects are a by-product of the learning process, we expected that as subjects adapted to the field, their performance in the null field would gradually degrade. We observed this gradual growth of the after-effects, leading to grossly distorted trajectories in the null field after subjects had adapted to the force field (Fig. 2D). This evidence suggested that the CNS composed a model of the field and used this model to compensate for the forces which it predicted the hand would encounter during a movement. The information contained in the learned model is a map whose input is the state and the desired change in state of the limb, and whose output is force (Eq. 2). How is this map implemented by the CNS? Let us assume that the approximation is via Computational Elements of the Adaptive Controller of the Human Arm 15o,------------. I 0.5 ~ ~ ~ >-g 0 . r -0.5 A -1 -0.5 0.5 Hand x-velocrty (rrV$) B -150 '--------,-1~00--=:-50-~-------:5::-:-0-1:-:"':OO--,J150 Displacement (mm) Figure 2: A: The virtual mechanical environment as a force field. B: Trajectory of reaching movements (center-out) to 8 targets in a null field. C: Average?standard-deviation of reaches to same targets when the field was on, before adaptation. D: After-affects of adaptation, i.e., when moving in a null field but expecting the field. a distributed set of computational elements (Poggio 1990). What are the properties of these elements? An important property may be the spatial bandwidth, i.e_, the size of the receptive field in the input space (the portion of the input space where the element generates a significant output). This property greatly influences how the eNS might interpolate between states which it has visited during training, and whether it can generalize to regions beyond the boundary of the training data. For example, in eye movements, it has been suggested that a model of dynamics of the eye is stored in the cerebellum (Shidara et al. 1992). Cells which encode this model (Purkinje cells) vary their firing rate as a linear function of the state of the eye, and the sum of their outputs (firing rates) correlates well with the force that the muscles need to produce to move the eye. Therefore, the model of eye's dynamics is encoded via cells with very large receptive fields. On the other hand, cells which take part in learning a visual hyperacuity task may have very small receptive fields (Poggio et al. 1992), resulting in a situation where training in a localized region does not lead to generalization. In learning control of our limbs, one possibility for the computational elements is the neural control circuits in the spinal cord (Mussa-Ivaldi 1992). Upon activation of 1081 1082 Shadmehr and Mussa-Ivaldi Test workspace Trai n ed Wo rkspace A -fo:::;;...-+---:>10 em X 150 100 50 I 0 -50 -100 B -150 -100 -50 50 100 150 Displacement (mm) Figure 3: A: Schematic of subject's arm and the force field was presented and the "test" measured. B: After-effects at the test region. field shown in Fig. 2A to the novel workspace. at the test region. c -1 -0.5 o 0.5 Hand .-velocity (""s) the trained region of the workspace where region where the transferred effects were C: A joint-based translation of the force This is the field that the subject expected one such circuit, muscles produce a time varying force field, i.e., forces which depend on the state of the limb (position and velocity) and time (Mussa-Ivaldi et al. 1990). Let us call the force function produced by one such motor element h(q, q, t) . It turns out that as one changes the amount of activation to a motor element, the output forces essentially scale . When two such motor elements are activated, the resulting force field is a linear combination of the two individual fields (Bizzi et al. 1991): f = 2::;=1 Cdi(q, q, t). Now consider the task of learning to move in the field shown in Fig. 2A . The model that the eNS builds is a map from state of the limb to forces imposed by the environment. Following the above scenario, the task is to find coefficients Ci for each element such that the output field is a good approximation of the environmental field. Unlike the computational elements of a visual task however, we may postulate that the motor elements are characterized by their broad receptive fields . This is because muscular force changes gradually as a function of the state of the limb and therefore its output force is non zero for wide region of the state space. It follows that if learning dynamics was accomplished through formation of a map whose computational elements were these motor functions, then because of the large spatial bandwidth of the elements the composed model should be able to generalize to well beyond the region of the training data. Computational Elements of the Adaptive Controller of the Human Arm To test this, we limited the region of the input space for which training data was provided and quantified the subject's ability to generalize to a region outside the training set. Specifically, we limited the workspace where practice movements in the force field took place and asked whether local exposure to the field led to after-effects in other regions (Fig. 3A). We found that local training resulted in after-effects in parts ofthe workspace where no exposure to the field had taken place (Fig. 3B) . This indicated that the model composed by the CNS predicted specific forces well outside the region in which it had been trained. The existence of this generalization showed that the computational elements with which the internal model was implemented had broad receptive fields. The transferred after-effects (Fig. 3B) show that at the novel region of the workspace, the subject's model of the environment predicted very different forces than the one on which the subject had been trained on (compare with Fig. 2D). This rejected the hypothesis that the composed model was a simple mapping (i.e., translation in variant) in a hand-based coordinate system, i.e., from states of the arm to forces on the hand. The alternate hypothesis was that the composed model related observed states of the arm to forces that needed to be produced by the muscles and was translation invariant in a coordinate system based on the joints and muscles. This would be the case, for example, if the computational elements encoded the state of the arm linearly (analogous to Purkinje cells for the case of eye movements) in joint space . To test this idea, we translated the field in which the subject had practiced to the novel region in a coordinate system defined based on the joint space of the subject's arm, resulting in the field shown in Fig. 3C. We recorded the performance of the subjects in this new field at the novel region of the workspace (after they had been trained on field of Fig. 2A) and found that performance was near optimum at the first exposure. This indicated that the geometric structure of the composed model supported transfer of information in an intrinsic, e.g., joint based, coordinate system. This result is consistent with the hypothesis that the computational elements involved in this learning task broadly encode the state space and represent their input in a joint-based coordinate system and not a hand-based one. 4 Conclusions In learning control of an inertially dominated mechanical system, knowledge of the system's geometric constraints can direct us to choose our computational elements such that learning is significantly faciliated. This was illustrated by an example of a real robot arm: starting with no knowledge of its dynamics, a reasonable model was learned within 3 periods of a movements (as opposed to thousands of movements when the computational elements were chosen without regard to the geometric properties). We argued that in learning to control the human arm, the CNS might also make assumption regarding geometric properties of its links and use specialized computational elements which facilitate learning of dynamics. One possibility for these elements are the discrete neuronal circuits found in the spinal cord. The function of these circuits can be mathematically formulated such that a map representing inverse dynamics of the arm is formed via a combination of the elements. Because these computational elements encode their input space 1083 1084 Shadmehr and Mussa-Ivaldi broadly, i.e., has significant output for a wide region of the input space, we expected that if subjects learned a dynamical process from localized training data, then the formed model should generalize to novel regions of the state space. Indeed we found that the subjects transferred the training information to novel regions of the state space, and this transfer took place in a coordinate system similar to that of the joints and muscles. We therefore suggest that the eNS learns control of the arm through formation of a model whose computational elements broadly encode the state space, and that these elements may be neuronal circuits of the spinal cord. Acknowledgments: Financial support was provided in part by the NIH (AR26710) and the ONR (N00014/90/J/1946). R . S. was supported by the McDonnell-Pew Center for Cognitive Neurosciences and the Center for Biological and Computational Learning. References Albus JS (1975) A new approach to manipulator control: The cerebellar model articulation controller (CMAC) . Trans ASME J Dyn Syst Meas Contr 97:220-227. Bizzi E , Mussa-Ivaldi FA, Giszter SF (1991) Computations underlying the execution of movement: a novel biological perspective. Science 253 :287-291. Botros SM , Atkeson CG (1991) Generalization properties of radial basis functions. In: Lippmann et al., Adv. in Neural Informational Processing Systems 3:707-713. Crago, Houk JC, Hasan Z (1976) Regulatory actions of human stretch reflex. J NeurophysioI39:5-19. Gomi H, Kawato M (1990) Learning control for a closed loop system using feedback error learning. Proc IEEE Conf Decision Contr. Miller WT, Glanz FH, Kraft LG (1987) Application of a general learning algorithm to the control of robotic manipulators. Int J Robotics Res 6(2):84-98. Moore AW, Atkeson CG (1994) An investigation of memory-based function approximators for learning control. Machine Learning, submitted. Mussa-Ivaldi FA, Giszter SF (1992) Vector field approximation: a computational paradigm for motor control and learning. BioI Cybern 67:491 - 500 . Mussa-Ivaldi FA, Giszter SF, Bizzi E (1990) Motor-space coding in the central nervous system . Cold Spring Harbor Symp Quant BioI 55:827-835. Poggio T (1990) A theory of how the brain might work. Cold Spring Harbor Symp Quant Bioi 55:899-910. Poggio T, Fahle M, Edelman S (1992) Fast perceptual learning in visual hyperacuity. Science 256:1018-1021. Raibert MH, Wimberly Fe (1984) Tabular control of balance in a dynamic legged system. IEEE Trans Systems, Man, Cybernetics SMC-14(2):334-339. Shadmehr R (1990) Learning virtual equilibrium trajectories for control of a robot arm. Neural Computation 2:436-446. Shadmehr R, Mussa-Ivaldi FA (1994) Adaptive representation of dynamics during learning of a motor task. J Neuroscience, in press. Shidara M, Kawano K, Gomi H, Kawato M (1993) Inverse-dynamics model eye movement control by Purkinje cells in the cerebellum. Nature 365:50-52 . Slotine JJE, Li W (1991) Applied Nonlinear Control, Prentice Hall, Englewood Cliffs, New Jersey.
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U sing Local Trajectory Optimizers To Speed Up Global Optimization In Dynamic Programming Christopher G. Atkeson Department of Brain and Cognitive Sciences and the Artificial Intelligence Laboratory Massachusetts Institute of Technology, NE43-771 545 Technology Square, Cambridge, MA 02139 617-253-0788, [email protected] Abstract Dynamic programming provides a methodology to develop planners and controllers for nonlinear systems. However, general dynamic programming is computationally intractable. We have developed procedures that allow more complex planning and control problems to be solved. We use second order local trajectory optimization to generate locally optimal plans and local models of the value function and its derivatives. We maintain global consistency of the local models of the value function, guaranteeing that our locally optimal plans are actually globally optimal, up to the resolution of our search procedures. Learning to do the right thing at each instant in situations that evolve over time is difficult, as the future cost of actions chosen now may not be obvious immediately, and may only become clear with time. Value functions are a representational tool that makes the consequences of actions explicit. Value functions are difficult to learn directly, but they can be built up from learned models of the dynamics of the world and the cost function. This paper focuses on how fast optimizers that only produce locally optimal answers can playa useful role in speeding up the process of computing or learning a globally optimal value function. Consider a system with dynamics Xk+l = f(xk, Uk) and a cost function L(Xk, Uk), 663 664 Atkeson where x is the state of the system and u is a vector of actions or controls. The subscript k serves as a time index, but will be dropped in the equations that follow. A goal of reinforcement learning and optimal control is to find a policy that minimizes the total cost, which is the sum of the costs for each time step. One approach to doing this is to construct an optimal value function, V(x). The value of this value function at a state x is the sum of all future costs, given that the system started in state x and followed the optimal policy P(x) (chose optimal actions at each time step as a function of the state). A local planner or controller can choose globally optimal actions if it knew the future cost of each action. This cost is simply the sum of the cost of taking the action right now and the future cost of the state that the action leads to, which is given by the value function. u* = arg min (L(x, u) + V(f(x, u?) u (1) Value functions are difficult to learn. The environment does not provide training examples that pair states with their optimal cost (x, V(x?. In fact, it seems that the optimal policy depends on the optimal value function, which in turn depends on the optimal policy. Algorithms to compute value functions typically iteratively refine a candidate value function and/or a corresponding policy (dynamic programming). These algorithms are usually expensive. We use local optimization to generate locally optimal plans and local models of the value function and its derivatives. We maintain global consistency of the local models of the value function, guaranteeing that our locally optimal plans are actually globally optimal, up to the resolution of our search procedures. 1 A SIMPLE EXAMPLE: A PENDULUM In this paper we will present a simple example to make our ideas clear. Figure 1 shows a simulated set of locally optimal trajectories in phase space for a pendulum being driven by a motor at the joint from the stable to the unstable equilibrium position. S marks the start point, where the pendulum is hanging straight down, and G marks the goal point, where the pendulum is inverted (pointing straight up). The optimization criteria quadratically penalizes deviations from the goal point and the magnitude of the torques applied. In the three locally optimal trajectories shown the pendulum either swings directly up to the goal (1), moves initially away from the goal and then swings up to the goal (2), or oscillates to pump itself and then swing to the goal (3). In what follows we describe how to find these locally optimal trajectories and also how to find the globally optimal trajectory. 2 LOCAL TRAJECTORY OPTIMIZATION We base our local optimization process on dynamic programming within a tube surrounding our current best estimate of a locally optimal trajectory (Dyer and McReynolds 1970, Jacobson and Mayne 1970). We have a local quadratic model of the cost to get to the goal (V) at each time step along the optimal trajectory (assume a time step index k in everything below unless otherwise indicated): Vex) ~ Vo 1 T + Vxx + 2x Vxxx (2) Using Local Trajectory Optimizers to Speed Up Global Optimization I /" ? e / / ~ 1/// ~ II I VI ~ " \ \ Is \ v' \ Go ') e I~ Figure 1: Locally optimal trajectories for the pendulum swing up task. A locally optim al policy can be computed using local models of the plant (in this case local linear models) at each time step along the trajectory: = f(x, u) ~ Ax + Bu + c (3) and local quadratic m odels of the one step cost at each time step along the trajectory: 1 1 L(x,u) ~ 2xT Qx+ 2uTRu+xTSu+tTu (4) Xk+l At each point along the trajectory the optimal policy is given by: u opt = -(R + BTVxxB)-1 x (BTVxxAx + ST x + BTVxxc + VxB + t) One can integrate the plant dynamics forward in time based on the above policy, and then integrate the value functions and its first and second spatial derivatives backwards in time to compute an improved value function, policy, and trajectory. For a one step cost of the form: 1 T L(x, u) ~ 2(x - Xd) Q(x - Xd)+ 1 T T 2(u - Ud) R(u - Ud) + (x - Xd) S(n - Ud) the backward sweep takes the following form (in discrete time): Zx = VxA + Q(x - Xd) Zu = VxB + R(u - Ud) Zxx = ATVxxA + Q Zux = BTVxxA + S Zuu = BTVxxB + R (9) K = Z;;: Zux VXk _ 1 = Zx - ZuK VXXk _ 1 = Zxx - ZxuK (10) (11) (12) (5) (6) (7) (8) 665 666 Atkeson 3 STANDARD DYNAMIC PROGRAMMING A typical implementation of dynamic programming in continuous state spaces discretizes the state space into cells, and assigns a fixed control action to each cell. Larson's state increment dynamic programming (Larson 1968) is a good example of this type of approach. In Figure 2A we see the trajectory segments produced by applying the constant action in each cell, plotted on a phase space for the example problem of swinging up a pendulum. 4 USING LOCAL TRAJECTORY OPTIMIZATION WITH DP We want to minimize the number of cells used in dynamic programming by making the cells as large as possible. Combining local trajectory optimization with dynamic programming allows us to greatly reduce the resolution of the grid on which we do dynamic programming and still correctly estimate the cost to get to the goal from different parts of the space. Figure 2A shows a dynamic programming approach in which each cell contains a trajectory segment applied to the pendulum problem. Figure 2B shows our approach, which creates a set of locally optimal trajectories to the goal. By performing the local trajectory optimizations on a grid and forcing adjacent trajectories to be consistent, this local optimization process becomes a global optimization process. Forcing adjacent trajectories to be consistent means requiring that all trajectories can be generated from a single underlying policy. A trajectory can be made consistent with a neighbor by using the neighboring trajectory as an initial trajectory in the local optimization process, or by using the value function from the neighboring trajectory to generate the initial trajectory in the local optimization process. Each grid element stores the trajectory that starts at that point and achieves the lowest cost. The trajectory segments in figure 2A match the trajectories in 2B. Figures 2C and 2D are low resolution versions of the same problem. Figure 2C shows that some of the trajectory segments are no longer correct. In Figure 2D we see the locally optimal trajectories to the goal are still consistent with the trajectories in Figure 2B. Using locally optimal trajectories which go all the way to the goal as building blocks for our dynamic programming algorithm allows us to avoid the problem of correctly interpolating the cost to get to the goal function on a sparse grid. Instead, the cost to get to the goal is measured directly on the optimal trajectory from each node to the goal. We can use a much sparser grid and still converge. 5 ADAPTIVE GRIDS BASED ON CONSTANT COST CONTOURS We can limit the search by "growing" the volumes searched around the initial and goal states by gradually increasing a cost threshold Cg ? We will only consider states around the goal that have a cost less than Cg to get to the goal and states around the initial state that have a cost less than C g to get from the initial state to that state (Figure 3B). These two regions will increase in size as Cg is increased. We stop Using Local Trajectory Optimizers to Speed Up Global Optimization A B c o Figure 2: Different dynamic programming techniques (see text). 667 668 Atkeson Figure 3: Volumes defined by a cost threshold. increasing Cg as soon as the two regions come into contact. The optimal trajectory has to be entirely within the union of these two regions, and has a cost of 2Cg . Instead of having the initial conditions of the trajectories laid out on a grid over the whole space, the initial conditions are laid out on a grid over the surface separating the inside and the outside surfaces of the volumes described above. The resolution of this grid is adaptively determined by checking whether the value function of one trajectory correctly predicts the cost of a neighboring trajectory. If it does not, additional grid points are added between the inconsistent trajectories. During this global optimization we separate the state space into a volume around the goal which has been completely solved and the rest of the state space, in which no exploration or computation has been done. Each iteration of the algorithm enlarges the completely solved volume by performing dynamic programming from a surface of slightly increased cost to the current constant cost surface. When the solved volume includes a known starting point or contacts a similar solved volume with constant cost to get to the boundary from the starting point, a globally optimal trajectory from the start to the goal has been found. 6 DP BASED ON APPROXIMATING CONSTANT COST CONTOURS Unfortunately, adaptive grids based on constant cost contours still suffer from the curse of dimensionality, having only reduced the dimensionality of the problem by 1. We are currently exploring methods to approximate constant cost contours. For example, constant cost contours can be approximated by growing "key" trajectories. Using Local Trajectory Optimizers to Speed Up Global Optimization ;' / \ " Figure 4: Approximate constant cost contours based on key trajectories A version of this is illustrated in Figure 4. Here, trajectories were grown along the "bottoms" of the value function "valleys". The location of a constant cost contour can be estimated by using local quadratic models of the value function produced by the process which optimizes the trajectory. These approximate representations do not suffer from the curse of dimensionality. They require on the order of T D2, where T is the length of time the trajectory requires to get to the goal, and D is the dimensionality of the state space. 7 SUMMARY Dynamic programming provides a methodology to plan trajectories and design controllers and estimators for nonlinear systems. However, general dynamic programming is computationally intractable. We have developed procedures that allow more complex planning problems to be solved. We have modified the State Increment Dynamic Programming approach of Larson (1968) in several ways: 1. In State Increment DP, a constant action is integrated to form a trajectory segment from the center of a cell to its boundary. We use second order local trajectory optimization (Differential Dynamic Programming) to generate an optimal trajectory and form an optimal policy in a tube surrounding the optimal trajectory within a cell. The trajectory segment and local policy are globally optimal, up to the resolution of the representation of the value function on the boundary of the cell. 2. We use the optimal policy within each cell to guide the local trajectory optimization to form a globally optimal trajectory from the center of each 669 670 Atkeson cell all the way to the goal. This helps us avoid the accumulation of interpolation errors as one moves from cell to cell in the state space, and avoid limitations caused by limited resolution of the representation of the value function over the state space. 3. The second order trajectory optimization provides us with estimates of the value function and its first and second spatial derivatives along each trajectory. This provides a natural guide for adaptive grid approaches. 4. During the global optimization we separate the state space into a volume around the goal which has been completely solved and the rest of the state space, in which no exploration or computation has been done. The surface separating these volumes is a surface of constant cost, with respect to achieving the goal. 5. Each iteration of the algorithm enlarges the completely solved volume by performing dynamic programming from a surface of slightly increased cost to the current constant cost surface. 6. When the solved volume includes a known starting point or contacts a similar solved volume with constant cost to get to the boundary from the starting point, a globally optimal trajectory from the start to the goal has been found. No optimal trajectory will ever leave the solved volumes. This would require the trajectory to increase rather than decrease its cost to get to the goal as it progressed. 7. The surfaces of constant cost can be approximated by a representation that avoids the curse of dimensionality. 8. The true test of this approach lies ahead: Can it produce reasonable solutions to complex problems? Acknowledgenlents Support was provided under Air Force Office of Scientific Research grant AFOSR89-0500, by the Siemens Corporation, and by the ATR Human Information Processing Research Laboratories. Support for CGA was provided by a National Science Foundation Presidential Young Investigator Award. References Bellman, R., (1957) Dynamic Programming, Princeton University Press, Princeton, NJ. Bertsekas, D.P., (1987) Dynamic Programming: Deterministic and Stochastic Models, Prentice-Hall, Englewood Cliffs, NJ. Dyer, P. and S.R. McReynolds, (1970) The Computation and Theory of Optimal Control, Academic Press, New York, NY. Jacobson, D.H. and D.Q. Mayne, (1970) Differential Dynamic Programming, Elsevier, New York, NY. Larson, R.E., (1968) State Increment Dynamic Programming, Elsevier, New York, NY.
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Assessing the Quality of Learned Local Models Stefan Schaal Christopher G. Atkeson Department of Brain and Cognitive Sciences & The Artifical Intelligence Laboratory Massachusetts Institute of Technology 545 Technology Square, Cambridge, MA 02139 email: [email protected], [email protected] Abstract An approach is presented to learning high dimensional functions in the case where the learning algorithm can affect the generation of new data. A local modeling algorithm, locally weighted regression, is used to represent the learned function. Architectural parameters of the approach, such as distance metrics, are also localized and become a function of the query point instead of being global. Statistical tests are given for when a local model is good enough and sampling should be moved to a new area. Our methods explicitly deal with the case where prediction accuracy requirements exist during exploration: By gradually shifting a "center of exploration" and controlling the speed of the shift with local prediction accuracy, a goal-directed exploration of state space takes place along the fringes of the current data support until the task goal is achieved. We illustrate this approach with simulation results and results from a real robot learning a complex juggling task. 1 INTRODUCTION Every learning algorithm faces the problem of sparse data if the task to be learned is sufficiently nonlinear and high dimensional. Generalization from a limited number of data points in such spaces will usually be strongly biased. If, however, the learning algorithm has the ability to affect the creation of new experiences, the need for such bias can be reduced. This raises the questions of (1) how to sample data the most efficient, and (2) how to assess the quality of the sampled data with respect to the task to be learned. To address these questions, we represent the task to be learned with local linear models. Instead of constraining the number of linear models as in other approaches, infinitely many local models are permitted. This corresponds to modeling the task with the help of (hyper-) tangent planes at every query point instead of representing it in a piecewise linear fashion. The algorithm applied for this purpose, locally weighted regression (LWR), stems from nonparametric regression analysis (Cleveland, 1979, Muller, 1988, Hardie 1990, Hastie&Tibshirani, 1991). In Section 2, we will briefly outline LWR. Section 3 discusses 160 Assessing the Quality of Learned Local Models several statistical tools for assessing the quality of a learned linear LWR model, how to optimize the architectural parameters of LWR, and also how to detect outliers in the data. In contrast to previous work, all of these statistical methods are local, i.e., they depend on the data in the proximity of the current query point and not on all the sampled data. A simple exploration algorithm, the shifting setpoint algorithm (SSA), is used in Section 4 to demonstrate how the properties of L WR can be exploited for learning control. The SSA explicitly controls prediction accuracy during learning and samples data with the help of optimal control techniques. Simulation results illustrate that this method work well in high dimensional spaces. As a final example, the methods are applied to a real robot learning a complex juggling task in Section 5. 2 LOCALLY WEIGHTED REGRESSION Locally linear models constitute a good compromise between locally constant models such as nearest neighbors or moving average and locally higher order models; the former tend to introduce too much bias while the latter require fitting many parameters which is computationally expensive and needs a lot of data. The algorithm which we explore here, locally weighted regression (LWR) (Atkeson, 1992, Moore, 1991, Schaal&Atkeson, 1994), is closely related to versions suggested by Cleveland et al. (1979, 1988) and Farmer&Siderowich (1987). A LWR model is trained by simply storing every experience as an input/output pair in memory. If an output Y, is to be generated from a given input x" the . it is computed by fitting a (hyper-) tangent plane at x , by means of weighted regressIOn: (1) where X is an mx(n+ 1) matrix of inputs to the regression, y the vector of corresponding outputs, P(x,) the vector of regression parameters, and W the diagonal mxm matrix of weights. The requested Y,results from evaluating the tangent plane at x ,i.e., Y = x~p. The elements of W give points which are close to the current query poi~t x, a l~ger influence than those which are far away. They are determined by a Gaussian kernel: w;(x,) = exp( (x; - x,lD(x,)(x; - x,) / 2k(x,)2) (2) w; is the weight 'for the i rh data point (xj,Yj) in memory given query point x . The matrix D(x,) weights the contribution of the individual input dimensions, and the factor k(x,) determines how local the regression will be. D and k are architectural parameters of LWR and can be adjusted to optimize the fit of the local model. In the following we will just focus on optimizing k, assuming that D normalizes the inputs and needs no further adjustment; note that, with some additional complexity, our methods would also hold for locally tuning D. 3 ASSESSING THE LOCAL FIT In order to measure the goodness of the local model, several tests have been suggested. The most widely accepted one is leave-one-out cross validation (CV) which calculates the prediction error of every point in memory after recalculating (1) without this point (Wahba&Wold 1975, Maron&Moore 1994). As an alternative measure, Cleveland et al. (1988) suggested Mallow's Cp-test, originally developed as a way to select covariates in linear regression analysis (Mallow, 1966). Hastie&Tibshirani (1991) showed that CV and the Cp-test are closely related for certain classes of analyses. Hastie&Tibshirani (1991) 161 162 Schaal and Atkeson also presented pointwise standard-error bands to assess the confidence in a fitted value which correspond to confidence bands in the case of an unbiased fit All these tests are essentially global by requiring statistical analysis over the entire range of data in memory. Such a global analysis is computationally costly, and it may also not give an adequate measure at the current query site Xq: the behavior of the function to be approximated may differ significantly in different places, and an averaging over all these behaviors is unlikely to be representative for all query sites (Fan&Gijbels, 1992). It is possible to convert some of the above measures to be local. Global cross validation has a relative in linear regression analysis, the PRESS residual error (e.g., Myers, 1990), here formulated as a mean squared local cross validation error: n is the number of data points in memory contributing with a weight Wj greater than some small constant (e.g., Wi> 0.01) to the regression, and p is the dimensionality of ~. The PRESS statistic performs leave-one-out cross validation computationally very efficient by not requiring the recalculation of ~ (Eq.(1)) for every excluded point. Analogously, prediction intervals from linear regression analysis (e.g., Myers, 1990) can be transformed to be a local measure too: 1'1 = x;~ ? (a/2,11'-p' where S2 S~1 + x: (XTWTWXfl Xq (4) is an estimate of the variance at x'I: S2(X ) = (X~ - ytWTW(X~ - y) n' - p' q (5) and (a/2,,.'-' isStudent'st-valueof n'-p' degrees of freedom fora l00(I-a)% prediction bound. The direct interpretation of (4) as prediction bounds is only possible if y is an unbiased estimate, which is usually hard to determine. 'I Finally, the PRESS statistic can also be used for local outlier detection. For this PUIJJOse it is reformulated as a standardized individual PRESS residual: eiC,..,.. , .. (x q )= ~ S T T T -1 1- w?x. (X W wx) X.W. I I I I (6) This measure has zero mean and unit variance. If it exceeds a certain threshold for a point Xi' the point can be called an outlier. An important ingredient to forming the measures (3)-(6) lies in the definition of n' and p' as given in (3). Imagine that the weighting function (2) is not Gaussian but rather a function that clips data points whose distance from the current query point exceeds a certain threshold and that the remaining r data points all contribute with unit weight. This reduced data regression coincides correctly with a r -data regression since n' = r . In the case of the soft-weighting (2). the definition of n' ensures the proper definition of the moments of the data. However, the definition of p', i.e., the degrees of freedom of the regression, is somewhat arbitrary since it is unclear how many degrees of freedom have ac- Assessing the Quality of Learned Local Models tually been used. Defining p' as in (3) guarantees that p' < n' and renders all results more pessimistic when only a small number of data points contribute to the regression. The statistical tests (3) and (4) can not only be (a) : used as a diagnostic tool, but they can also 1.5 1\. serve to optimize the architectural parameters . :, ofLWR. This results in a function fitting tech.,J; ,.., nique which is called supersmoothing in statis0.5 tics (Hastie&Tibshirani, 1991). Fan&Gijbels (1992) investigated a method for this purpose that required estimation of the second deriva.0.S.o+.2~+-+-0~"0.""2c..,.....,....,..O'?..;..;........~0T-.8~"0.~e~-i--r'~1.2 tive of the function to be approximated and the data density distribution. These two measures are not trivially obtained in high dimensions (b) 1.5 and we would like to avoid using them. Figure 1 shows fits of noisy data from the function ,,.. y = x- sin\2n:x 3 ) COS(2n:x3) exp(x4) with 0.5 95% prediction intervals around the fitted values. In Figure la, global one-leave-out cross validation was applied to optimize k (cf. .o.5.+0.2~""""~"0.-'2~""'0.?""""""~0f-.8~"0.8~""""""".....-'r-...-112 Eq.(2?. In the left part of the graph the fit x ??> starts to follow noise. Such behavior is to be expected since the global optimization of k (c) 1.5 also took into account the quickly changing - _. _. predcton int.rv. regions on the right side of the graph and thus " nai., data chose a rather small k. In Figure 1b mini0.5 mization of the local one-leave-out cross validation error was applied to fit the data, and in o Figure 1c prediction intervals were mini.0.5.+0.2..,......,.-.,.....,~...,0.2-.-,......,.,..0.? ...,.....,....~0r-.8,....,.....,r-r0.8~...,...,-..,......,.-.,....,1.2 mized. These two fits cope nicely with both J(--> the high frequency and the low frequency reFigure 1: Optimizing the LWR fit using: (a) gions of the data and recover the true function global cross validation; (b) local cross valida- rather well. The extrapolation properties of lotion; (c) local prediction intervals. cal cross validation are the most appropriate given that the we know the true function. Interestingly, at the right end of Figure 1c, the minimization of the prediction intervals suddenly detects that global regression has a lower prediction interval than local regression and jumps into the global mode by making k rather large. In both local methods there is always a competition between local and global regression. But sudden jumps take place only when the prediction interval is so large that the data is not trustworthy anyway. 2 A A To some extend, the statistical tests (3)-(6) implicitly measure the data density at the current query point and are thus sensitive towards little data support, characterized by a small n'. This property is desirable as a diagnostic tool, particularly if the data sampling process can be directed towards such regions. However, if a fixed data set is to be analyzed which has rather sparse and noisy data in several regions, a fit of the data with local optimization methods may result in too jagged an approximation since the local fitting mistakes the noise in such regions as high frequency portion of the data. Global methods avoid this effect by biasing the function fitting in such unfavorable areas with knowledge from other data regions and will produce better results if this bias is appropriate. 163 164 Schaal and Atkeson 4 THE SHIFTING SETPOINT EXPLORATION ALGORITHM In this section we want to give an example of how LWR and its statistical tools can be used for goal directed data sampling in learning control. If the task to be learned is high dimensional it is not possible to leave data collection to random exploration; on the one hand this would take too much time. and on the other hand it may cause the system to enter unsafe or costly regions of operation. We want to develop an exploration algorithm which explicitly avoids with such problems. The shifting setpoint algorithm (SSA) attempts to decompose the control problem into two separate control tasks on different time scales. At the fast time scale. it acts as a nonlinear regulator by trying to keep the controlled system at some chosen setpoints in order to increase the data density at these setpoints. On a slower time scale. the setpoints are shifted by controlling local prediction accuracy to accomplish a desired goal. In this way the SSA builds a narrow tube of data support in which it knows the world. This data can be used by more sophisticated control algorithms for planning or further exploration. The algorithm is graphically illustrated in the example of a mountain car in Figure 2. The task of the car is to drive at a given constant horizontal speed xdesired from the left to the right of Figure 2a. xduired need not be met precisely; the car should also minimize its fuel consumption. Initially. the car knows nothing about the world and cannot look ahead. but it has noisy feedback of its position and velocity. Commands. which correspond to the thrust F of the motor. can be generated at 5Hz. The mountain car starts at its start point with one arbitrary initial action for the first time step; then it brakes and starts all over again. assuming the system can be reset somehow. The discrete one step dynamics of the car are modeled by an LWR forward model: x...,xt = f(Xc..,.,.elll. F ). where x = (x.xl (7) After a few trials~ the SSA searches the data in memory for the point (x;u"elll.F,x~?xt)resl whose outcome x lI?xt can be predicted with the smallest local prediction interval. This best point is declared the setpoint of this stage: T )T = (T FAT)T T F S ,XS,OIl' ( XS,ill' XC~IIl' 'X llm bltSl (8) and its local linear model results from a corresponding LWR lookup: A XS,OIll (9) = f(xS,u.,F s ):::: AxS;1I + BFs + C Based on this liDear model. an optimal LQ controller (e.g., Dyer&McReynolds. 1970) can be constructed. This results in a control law of the form: (10) After these calculations. the mountain car learned one controlled action for the first time step, However. since the initial action was chosen arbitrarily, XS,OIII will be significantly away from the desired speed Xdesir?d. A reduction of this error is achieved as follows, First, the SSA repeats one step actions with the LQ controller until suffjcient data is collected to reduce the prediction intervals ofLWR lookups for (x~,ill,Fs) (Eq.(9)) below a certain threshold. Then it shifts the setpoint towards the goal according to the procedure: 1) calculate the error of the predicted output state: err S o,d = xde . 2) take the derivfltive of the error with respect to the comm'and Fs for (XIill.FS) (cf. (9)): d - Xs III sr;om a LWR lookup Assessing the Quality of Learned Local Models aerr S,OI" = aerr S,Old aXS,OMI = _ aXS,Old = _ B aFs aXSpld aFs aFs and calculate a correction Ms from solving: -BMs = a errs old ; a E [0,1] determines how much of the error should be compensated for in one step. 3) update Fs: Fs = Fs - Ms and calculate the new X SOM1 with LWR (Eq.(9?. 4) assess the fit for the updated setpoint with prediction intervals. If the quality is above a certain threshold, continue with I), otherwise terminate shifting. Figure 2: The mountain car: (a) landscape across which the car has to drive at constant velocity of 0.8 mIs, (b) contour plot of data density in phase space as generated by using multistage SSA, (c) contour plot of data density in position-action space, (d) 2-dimensional mountain car 0.1 10 ? 2D Polltlon E" ... [III) 30 40 10 [J Ylloclty EITOf ["'") In this way, the output state of the setpoint shifts towards the goal until the data support falls below a threshold. Now the mountain car perfonns several new trials with the new setpoint and the correspondingly updated LQ controller. After the quality of fit statistics rise above a threshold, the setpoint can be shifted again. As soon as the first stage's setpoint reduces the error Xdesj~d - Xs old sufficiently, a new stage is created and the mountain car tries to move one step further in its world. The entire procedure is repeated for each new stage until the car knows how to move across the landscape. Figure 2b and Figure 2c show the thin band of data which the algorithm collected in state space and position-action space, These two pictures together form a narrow tube of knowledge in the input space of the forward model. Figure 3: Mean prediction error of local models 165 166 Schaal and Atkeson The example of the mountain car can easily be scaled up to arbitrarily high dimensions by making the mountain a multivariate function. We tried versions up to a 5-dimensional mountain corresponding to a 9\15 ~ 9\10 forward model; Figure 2d shows the 2-dimensional version. The results of learning had the same quality as in the ID example. Figure 3 shows the prediction errors of the local models after learning for the ID. 2D ?...? and 5D mountain car. To obtain these errors. the car was started at random positions within its data support from where it drove along the desired trajectory. The difference between the predicted next state and the actual outcome at each time step was averaged. Position errors stayed within 2-4 cm on the 10m long landscape. and velocity errors within 0.020.05 m/s. The dimensionality of the problem did not affect the outcome significantly. 5 ROBOT JUGGLING To test our algorithms in a real world experiment. we implemented them on a juggling robot. The juggling task to be performed. devil sticking. is illustrated in Figure 4a. For the robot. devil sticking was slightly simpli(a) fied by attaching the devil stick to a boom. as illustrated in Figure 4b. The task state was encoded as a 5-dimensional state vector. taken at the moment when the devilstick hit one of the hand sticks; the throw action was parameterized as 5-dimensional action vector. This resulted in a 9\10 ~ 9\5 discrete forward model of the task. Initially the robot was given default actions for the left-hand and right-hand throws; the quality of these throws. however. was far away from achieving steady juggling. The robot started with no initial experiences and tried to build con(b) trollers to perform continuous juggling. The goal states for the SSA developed automati(;j cally from the requirement that the left hand ~,~~--------------------~ ~1OIIJ had to learn to throw the devilstick to a place where the right hand had sufficient data support to control the devilstick. and vice versa. Figure 4c shows a typical learning curve for this task. It took about 40 trials before the 21 3, 51 4' " Trial Number left and the right hand learned to throw the (C) devilstick such that both hands were able to Figure 4: (a) illustration of devilsticking, (b) a cooperate. Then. performance quickly went devils ticking robot, (c) learning curve of robot up to long runs up to 1200 consecutive hits. Humans usually need about one week of one hour practicing per day before they achieve decent juggling performance. In comparison to this. the learning algorithm performed very well. However. it has to be pointed out that the learned controllers were only local and could not cope with larger perturbations. A detailed description of this experiment can be found in Schaal&Atkeson (1994). Assessing the Quality of Learned Local Models CONCLUSIONS One of the advantages of memory-based nonparametric learning methods lies in the least commitment strategy which is associated with them. Since all data is kept in memory, a lookup can be optimized with respect to the architectural parameters. Parametric approaches do not have this ability if they discard their training data; if they retain it, they essentially become memory-based. The origin of nonparametric modeling in traditional statistics provides many established statistical methods to inspect the quality of what has been learned by the system. Such statistics formed the backbone of the SSA exploration algorithm. So far we have only examined some of the most obvious statistical tools which directly relate to regression analysis. Many other methods from other statistical frameworks may be suitable as well and will be explored by our future work. Acknowledgements Support was provided by the Air Force Office of Scientific Research, by the Siemens Corporation, the German Scholarship Foundation and the Alexander von Humboldt Foundation to Stefan Schaal, and a National Science Foundation Presidential Young Investigator Award to Christopher G. Atkeson. We thank Gideon Stein for implementing the first version of LWR on a DSP board, and Gerrie van Zyl for building the devil sticking robot and implementing the first version of learning of devil sticking. References Atkeson, C.G. (1992), "Memory-Based Approaches to Approximating Continuous Functions", in: Casdagli, M.; Eubank, S. (eds.): Nonlinear Modeling and Forecasting. Redwood City, CA: Addison Wesley (1992). Cleveland, W.S., Devlin, S.l, Grosse, E. (1988), "Regression by Local Fitting: Methods, Properties, and Computational Algorithms". Journal of &onometrics 37,87 -114, North-Holland (1988). Cleveland, W.S. (1979), "Robust Locally-Weighted Regression and Smoothing Scatterplots". Journal of the American Statistical Association ,no.74, pp.829-836 (1979). Dyer, P., McReynolds, S.R. (1970), The Computation and Theory of Optima I Comrol, New York: Academic Press (1970). Fan, J., Gijbels, I. (1992), "Variable Bandwidth And Local Linear Regression Smoothers", The Annals of Statistics, vol.20, no.4, pp.2008-2036 (1992). Farmer, J.D., Sidorowich, J.I (1987), "Predicting Chaotic Dynamics", Kelso, IA.S., Mandell, AJ., Shies inger, M.F., (eds.):Dynamic Patterns in Complex Systems, World Scientific Press (1987). HardIe, W. (1991), Smoothing Techniques with Implementation in S, New York, NY: Springer. Hastie, T.l; Tibshirani, R.J. (1991), Generalized Additive Models, Chapman and Hall. Mallows, C.L. (1966), "Choosing a Subset Regression", unpublished paper presented at the annual meeting of the American Statistical Association, Los Angles (1966). Maron, 0., Moore, A.W. (1994), "Hoeffding Races: Accelerating Model Selection Search for Classification and Function Approximation", in: Cowan, J. , Tesauro, G., and Alspector, 1. (eds.) Advances in Neural Information Processing Systems 6, Morgan Kaufmann (1994). Muller, H.-G. (1988), Nonparametric Regression Analysis of Longitudinal Data, Lecture Notes in Statistics Series, vo1.46, Berlin: Springer (1988). Myers, R.H. (1990), Classical And Modern Regression With Applications, PWS-KENT (1990). Schaal, S., Atkeson, C.G. (1994), "Robot Juggling: An Implementation of Memory-based Learning", to appear in: Control Systems Magazine, Feb. (1994). Wahba, G., Wold, S. (1975), "A Completely Automatic French Curve: Fitting Spline Functions By Cross-Validation", Communications in Statistics, 4(1) (1975). 167
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840 LEARNING IN NETWORKS OF NONDETERMINISTIC ADAPTIVE LOGIC ELEMENTS Richard C. Windecker* AT&T Bell Laboratories, Middletown, NJ 07748 ABSTRACT This paper presents a model of nondeterministic adaptive automata that are constructed from simpler nondeterministic adaptive information processing elements. The first half of the paper describes the model. The second half discusses some of its significant adaptive properties using computer simulation examples. Chief among these properties is that network aggregates of the model elements can adapt appropriately when a single reinforcement channel provides the same positive or negative reinforcement signal to all adaptive elements of the network at the same This holds for multiple-input, multiple-output, multiple-layered, time. combinational and sequential networks. It also holds when some network elements are "hidden" in that their outputs are not directly seen by the external environment. INTRODUCTION There are two primary motivations for studying models of adaptive automata constructed from simple parts. First, they let us learn things about real biological systems whose properties are difficult to study directly: We form a hypothesis about such systems, embody it in a model, and then see if the model has reasonable learning and behavioral properties. In the present work, the hypothesis being tested is: that much of an animal's behavior as determined by its nervous system is intrinsically nondeterministic; that learning consists of incremental changes in the probabilities governing the animal's behavior; and that this is a consequence of the animal's nervous system consisting of an aggregate of information processing elements some of which are individually nondeterministic and adaptive. The second motivation for studying models of this type is to find ways of building machines that can learn to do (artificially) intelligent and practical things. This approach has the potential of complementing the currently more developed approach of programming intelligence into machines. We do not assert that there is necessarily a one-to-one correspondence between real physiological neurons and the postulated model information processing elements. Thus, the model may be loosely termed a "neural network model," but is more accurately described as a model of adaptive automata constructed from simple adaptive parts. * The main ideas in this paper were conceived and initially developed while the author was at the University of Chiang Mai, Thailand (1972-73). The ideas were developed further and put in a form consistent with existing switching and automata theory during the next four years. For two of those years, the author was at the University of Guelph, Ontario, supported of National Research Council of Canada Grant #A6983. ? American Institute of Physics 1988 841 It almost certainly has to be a property of any acceptable model of animal learning that a single reinforcement channel providing reinforcement to all the adaptive elements in a network (or subnetwork) can effectively cause that network to adapt appropriately. Otherwise, methods of providing separate, specific reinforcement to all adaptive elements in the network must be postulated. Clearly, the environment reinforces an animal as a whole and the same reinforcement mechanism can cause the animal to adapt to many types of situation. Thus, the reinforcement system is non-specific to particular adaptive elements and particular behaviors. The model presented here has this property. The model described here is a close cousin to the family of models recently described by Barto and coworkers 1-4. The most significant difference are: 1) In the present model, we define the timing discipline for networks of elements more explicitly and completely. This particular timing discipline makes the present model consistent with a nondeterministic extension of switching and automata theory previously described 0. 2) In the present model, the reinforcement algorithm that adjusts the weights is kept very simple. With this algorithm, positive and negative reinforcement have symmetric and opposite effects on the weights. This ensures that the logical signals are symmetric opposites of each other. (Even small differences in the reinforcement algorithm can make both subtle as well as profound differences in the behavior of the model.) We also allow, null, or zero, reinforcemen t. As in the family of models described by Barto, networks constructed within the present model can get "stuck" at a sUboptimal behavior during learning and therefore not arrive at the optimal adapted state. The complexity of the Barto reinforcement algorithm is designed partly to overcome this tendency. In the present work, we emphasize the use of training strategies when we wish to ensure that the network arrives at an optimal state. (In nature, it seems likely that getting "stuck" at suboptimal behavior is common.) In all networks studied so far, it has been easy to find strategies that prevent the network from getting stuck. The chief contributions of the present work are: 1) The establishment of a close connection between these types of models and ordinary, nonadaptive, switching and automata theory 0. This makes the wealth of knowledge in this area, especially network synthesis and analysis methods, readily applicable to the study of adaptive networks. 2) The experimental demonstration that sequential ("recurrent") nondeterministic adaptive networks can adapt appropriately. Such networks can learn to produce outputs that depend on the recent sequence of past inputs, not just the current inputs. 3) The demonstration that the use of training strategies can not only prevent a network from getting stuck, but may also result in more rapid learning. Thus, such strategies may be able to compensate, or even more than compensate, for reduced complexity in the model itself. References 2-4 and 6 provide a comprehensive background and guide to the literature on both deterministic and nondeterministic adaptive automata including those constructed from simple parts and those not. THE MODEL ADAPTIVE ELEMENT The model adaptive element postulated in this work is a nondeterministic, adaptive generalization of threshold logic 7. Thus, we call these elements Nondeterministic Adaptive Threshold-logic gates (NATs). The output chosen by a NAT at any given time is not a function of its inputs. Rather, it is chosen by a stochastic process according to certain probabilities. It is these probabilities that are a function of the inputs. A NAT is like an ordinary logic gate in that it accepts logical inputs that are two-valued and produces a logical output that is two-valued. We let these values be 842 + 1 and -1. A NAT also has a timing input channel and a reinforcement input channel. The NAT operates on a three-part cycle: 1) Logical input signals are changed and remain constant. 2) A timing signal is received and the NAT selects a new output based on the inputs at that moment. The new output remains constant. 3) A reinforcement signal is received and the weights are incremented according to certain rules. Let N be the number of logical input channels, let Xi represent the ith input signal, and let z be the output. The NAT has within it N+ 1 "weights," wo, WI! ... , WN. The weights are confined to integer values. For a given set of inputs, the gate calculates the quantity W: Then the probability that output z = + 1 is chosen is: w _--=-=- P(z = +1) - Je 1 .j2;u - 00 2q2 W/v2q dx = _1_ ..;; J e-(l d~ (2) - 00 where ~ = xjV2u. (An equivalent formulation is to let the NAT generate a random number, Wq, according to the normal distribution with mean zero and variance u 2 . Then if W > - Wq, the gate selects the output z = + 1. If W < - Wq, the gate selects output z = -1. If W = - Wq, the gate selects output -1 or + 1 with equal probability.) Reinforcement signals, R, may have one of three values: + 1, -1, and 0 representing positive, negative, and no reinforcement, respectively. If + 1 reinforcement is received, each weight is incremented by one in the direction that makes the current output, z, more likely to occur in the future when the same inputs are applied; if -1 reinforcement is received, each weight is incremented in the direction that makes the current output less likely; if 0 reinforcement is received, the weights are not changed. These rules may be summarized: ~wo = zR and ~Wj = xjzR for i > o. NATs operate in discrete time because if the NAT can choose output + 1 or -1, depending on a stochastic process, it has to be told when to select a new output. It cannot "run freely," or it could be constantly changing output. Nor can it change output only when its inputs change because it may need to select a new output even when they do not change. The normal distribution is used for heuristic reasons. If a real neuron (or an aggregate of neurons) uses a stochastic process to produce nondeterministic behavior, it is likely that process can be described by the normal distribution. In any case, the exact relationship between P{z = + 1) and W is not critical. What is important is that P(z = + 1) be monotonically increasing in W, go to 0 and 1 asymptotically as W goes to - 00 and + 00, respectively, and equal 0.5 at W = O. The parameter u is adjustable. We use 10 in the computer simulation experiments described below. Experimentally, values near 10 work reasonably well for networks of NATs having few inputs. Note that as u goes to zero, the behavior of a NAT approximates that of an ordinary deterministic ada pt,ive threshold logic gate with the difference that the output for the case W = 0 is not arbitrary: The NAT will select output +1 or -1 with equal probability. Note that for all values of W, the probabilit,ies are greater than zero that either + 1 or -1 will be chosen, although for large values of W (relative to u) for all 843 practical purposes, the behavior is deterministic. There are many values of the weights that cause the NAT to approximate the behavior of a deterministic threshold logic gate. ~or the same reasons that deterministic threshold logic gates cannot realize all 22 functions of N variables 7, so a NAT cannot learn to approximate any deterministic function; only the threshold logic functions. Note also that when the weights are near zero, a NAT adapts most rapidly when both positive and negative reinforcement are used in approximately equal amounts. As the NAT becomes more likely to produce the appropriate behavior, the opportunity to use negative reinforcement decreases while the opportunity to use positive reinforcement increases. This means that a NAT cannot learn to (nearly) always select a certain output if negative reinforcement alone is used. Thus, positive reinforcement has an important role in this model. (In most deterministic models, positive reinforcement is not useful.) Note further that there is no hysteresis in NAT learning. For a given configuration of inputs, a + 1 output followed by a + 1 reinforcement has exactly the same effect on all the weights as a -1 output followed by a -1 reinforcement. So the order of such events has no effect on the final values of the weights. Finally, if only negative reinforcement is applied to a NAT, independent of output, for a particular combination of inputs, the weights will change in the direction that makes W tend toward zero and once there, follow a random walk centered on zero. (The further W is from zero, the more likely its next step will be toward zero.) If all possible input combinations are applied with more or less equal probability, all the weights will tend toward zero and then follow random walks centered on zero. In this case, the NAT will select + 1 or -1 with more or less equal probability without regard to its inputs. NETWORKS NATs may be connected together in networks (NAT-nets). The inputs to a NAT in such a network can be selected from among: 1) the set of inputs to the entire network, 2) the set of outputs from other NATs in the network, and 3) its own output. The outputs of the network may be chosen from among: 1) the inputs to the network as a whole, and 2) the outputs of the various NATs in the network . Following Ref. 5, we impose a timing discipline on a NAT-net. The network is organized into layers such that each NAT belongs to one layer. Letting L be the number of layers, the network operates as follows: 1) All NATs in a given layer receive timing signals at the same time and select a new output at the same time. 2) Timing signals are received by the different layers, in sequence, from 1 to L. 3) Inputs to the network as a whole are levels that may change only before Layer 1 receives its timing signal. Similarly, outputs from the network as a whole are available to the environment only after Layer L has received its timing signal. Reinforcement to the network as a whole is accepted only after outputs are made available to the environment. The same reinforcement signal is distributed to all NATs in the network at the same time. With these rules, NAT-nets operate through a sequence of timing cycles. In each cycle: 1) Network inputs are changed. 2) Layers 1 through L select new outputs, in sequence. 3) Network outputs are made available to the environment. 4) Reinforcement is received from the environment. We call each such cycle a "trial" and a sequence of such trials is a "session." This model is very general. If, for each gate, inputs are selected only from among the inputs to the network as a whole and from the outputs of gates in layers preceding it in the timing cycle, then the network is combinational. In this case, the probability of the network producing a given output configuration is a function of the inputs at the start of the timing cycle. If at least one NAT has one input from a 844 NAT in the same layer or from a subsequent layer in the timing cycle, then the network is sequential. In this case, the network may have "internal states" that allow it to remember information from one cycle to the next. Thus, the probabilities governing its choice of outputs may depend on inputs in previous cycles. So sequential NAT-nets may have short-term memory embodied in internal states and long-term memory embodied in the weights. In Ref. 5, we showed that sequential networks can be constructed by adding feedback paths to combinational networks and any sequential network can be put in this standard form. In information-theoretic terms: 1) A NAT-net with no inputs and some outputs is an "information source." 2) A NAT-net with both inputs and outputs is an information "channel." 3) A combinational NAT-net is "memory-less" while a sequential NAT-net has memory. In this context, note that a NAT-net may operate in an environment that is either deterministic or nondeterministic. Both the logical and the reinforcement inputs can be selected by stochastic processes. Note also that nondeterministic and deterministic elements as well as adaptive and nonadaptive elements can be combined in one network. (It may be that the decision-making parts of an animal's nervous system are nondeterministic and adaptive while the information transmitting parts (sensory data-gathering and the motor output parts) are deterministic and nonadaptive.) One capability that combinational NAT-nets possess is that of "pattern recognizers." A network having many inputs and one or a few outputs can "recognize" a small subset of the potential input patterns by producing a particular output pattern with high probability when a member of the recognized subset appears and a different output pattern otherwise. In practice, the number of possible input patterns may be so large that we cannot present them all for training purposes and must be content to train the network to recognize one subset by distinguishing it (with different output pattern) from another subset. In this case, if a pattern is subsequently presented to the network that has not been in one of the training sets, the probabilities governing its output may approach one or zero, but may well be closer to 0.5. The exact values will depend on the details of the training period. If the new pattern is similar to those in one of the training sets, the NAT-net will often have a high probability of producing the same output as for that set. This associative property is the analog of the well known associative property in deterministic models. If the network lacks sufficient complexity for the separation we wish to make, then it cannot be trained. For example, a single Ninput NAT cannot be trained to recognize any arbitrary set of input patterns by selecting the + 1 output when one of them is presented and -1 otherwise. It can only be trained to make separations that correspond to threshold functions. A combinational NAT-net can also produce patterns. By analogy with a pattern recognizer, a NAT-net with none or a few inputs and a larger number of outputs can learn for each input pattern to produce a particular subset of the possible output patterns. Since the mapping may be few-to-many, instead of many-to-few, the goal of training in this case mayor may not be to have the network approximate deterministic behavior. Clearly, the distinction between pattern recognizers and pattern prod ucers is somewhat arbitrary: in general, NATnets are pattern transducers that map subsets of input patterns into subsets of output patterns. A sequential network can "recognize" patterns in the timesequence of network inputs and produce patterns in the time-sequence of outputs. SIMULATION EXPERIMENTS In this Section, we discuss computer simulation results for three types of multiple-element networks. For two of these types, certain strategies are used to train the networks. In general, these strategies have two parts that alternate, as 845 needed. The first part is a general scheme for providing network inputs and reinforcement that tends to train all elements in the network in the desired direction. The second part is substituted temporarily when it becomes apparent that the network is getting stuck in some suboptimal behavior. It is focussed on getting the network unstuck. The strategies used here are intuitive. In general, there appear to be many strategies that will lead the network to the desired behavior. While we have made some attempt to find strategies that are reasonably efficient, it is very unlikely that the ones used are optimal. Finally, these strategies have been tested in hundreds of training sessions. Although they worked in all such sessions, there may be some (depending on the sequence of random numbers generated) in which they would not work . In describing the networks simulated, Figs. 1-3, we use the diagramatic conventions defined in Ref. 5: We put all NATs in the same layer in a vertical line, with the various layers arranged from left to right in their order in the timing cycle. Inputs to the entire network corne in from the left; outputs go out to the right. Because the timing cycle is fixed, we omit the timing inputs in these figures. For similar reasons, we also omit the reinforcement inputs. In the simulations described here, the weights in the NATs start at zero making the network outputs completely random in the sense that on any given trial, all outputs are equally likely to occur, independent of past or present inputs. As learning proceeds, some or all the weights become large, so that the NAT-net's selection of outputs is strongly influenced by some or all of its inputs and internal connections. (Note that if the weights do not start at zero, they can be driven close to zero by using negative reinforcement.) In general, the optimum behavior toward which the network adapts is deterministic. However, because the probabilities are never identically equal to zero or one, we apply an arbitrary criterion and say that a NAT-net has learned the appropriate behavior when that criterion is satisfied. In real biological systems, we cannot know the weights or the exact probabilities governing the behavior of the individual adaptive elements. Therefore, it is appropriate to use a criterion based on observable behavior. For example, the criterion might be that the network selects the correct response (and continues to receive appropriate reinforcement) 25 times in a row . Note that NAT-nets can adapt appropriately when the environment is not deliberately trying to make the them behave in a particular way. For example, the environment may provide inputs according to some (not necessarily deterministic) pattern and there may be some independent mechanism that determines whether the NAT-net is responding appropriately or not and provides the reinforcement accordingly. One paradigm for this situation is a game in which the NAT-net and the environment are players. The reinforcement scheme is simple: if, according to the rules of the game, the NAT-net wins a play (= trial) of the game, reinforcement is + 1 , if it loses, -1. For a NAT-net to adapt appropriately in this situation, the game must consist of a series of similar plays. If the game is competitive, the best strategy a given player has depends on how much information he has about the opponent and vice versa. If a player assumes that his opponent is all-knowing, then his best strategy is to minimize his maximum loss and this often means playing at random, or a least according to certain probabilities. If a player knows a lot about how his opponent plays, his best strategy may be to maximize gain. This often means playing according to some deterministic strategy. The example networks described here are special cases of three types: pattern producing (combinational multiple-output) networks, pattern recogmzmg (combinational multiple-input, multiple-layered, few-output) networks, and game playing (sequential) networks. The associative properties of NATs and NAT-nets 846 are not emphasized here because they are analogous to the well known associative properties of other related models. A Class of Simple Pattern Producing Networks A simple class of pattern producing networks consists of the single-layer type shown in Fig. 1. Each of M NATs in such a o~- z, network has no inputs, only an output. As a consequence, each has only one weight, Woo Z2 The network is a simple, adaptive, information source. O~- ~3 Consider first the case in which the ?? network contains only one NAT and we wish to train it to always produce a simple "pattern," ??? + 1. We give positive reinforcement when it selects + 1 and negative reinforcement Z18 otherwise. If Wo starts at 0, it will quickly gr.ow large making the probability of selecting + 1 approach unity. The criterion we use for Fig. 1. A Simple Pattern deciding that the network is trained is that it Producing Network produce a string of 25 correct outputs. Table I shows that in 100 sessions, this one-NAT network selected + 1 output for the next 25 trials starting, on average, at trial 13. Next consider a network with two NATs. They can produce four different output patterns. If both weights are 0, they will produce each of the patterns with equal probability. But they can be trained to produce one pattern (nearly) all the time. If we wish to train this subnetwork to produce the pattern (in vector notation) [+1 +1], one strategy is to give no reinforcement if it produces patterns [-1 +1] or M Min Ave Max [+1 -1), give it positive reinforcement if it 1 1 13 26 produces [+1 +1] and negative reinforcement if 2 8 25 43 it produces [-1 -1]. Table I shows that in 100 4 18 35 60 sessions, this network learned to produce the 8 44 70 109 desired pattern (by producing a string of 25 16 215 49 115 correct outputs) in about 25 trials. Because we initially gave reinforcement only about 50% of the time, it took longer to train two NATS Table I. Training Times For than one. Networks Per Fig. 1. Next, consider the 16-NAT network in Fig. 1. Now there are 216 possible patterns the network can produce. When all the weights are zero, each has probability 2- 16 of being produced. An ineffective strategy for training this network is to provide positive reinforcement when the desired pattern is produced, negative reinforcement when its opposite is produced, and zero reinforcement otherwise. A better strategy is to focus on one output of the network at a time, training each NAT separately (as above) to have a high probability of producing the desired output. Once all are trained to a relatively high level, the network as a whole has a reasonable chance of producing exactly the correct output. Now we can provide positive reinforcement when it does and no reinforcement otherwise. With this two-stage hybrid strategy, the network will soon meet the training criterion. The time it takes to train a network of M elements with a strategy of this type is roughly proportional to M, not 2(M - 1), as for the first strategy. ... 0--.' ... ??? ? 0--.. ? ? 847 A still more efficient strategy is to alternate between a general substrategy and a substrategy focussed on keeping the network from getting "stuck ." One effective general substrategy is to give positive reinforcement when more than half of the NATs select the desired output, negative reinforcement when less than half select the desired output, and no reinforcement when exactly half select the desired output. This substrategy starts out with approximately equal amounts of positive and negative reinforcement being applied. Soon, the network selects more than half of the outputs correctly more and more of the time. Unfortunately, there will tend to be a minority subset with low probability of selecting the correct output. At this stage, we must recognize this subset and switch to a substrategy that focuses on the elements of this subset following the strategy for one or two elements, above. When all NATs have a sufficiently high probability of selecting the desired output, training can conclude with the first substrategy. The strategies used to obtain the results for M = 4,8, and 16 in Table I were slightly more complicated variants of this two-part strategy. In all of them, a running average was kept of the number of right responses given by each NAT. Letting OJ be the "correct" output for Zj, the running average after the tt" trial, Aj( t), is: Aj(t) = BAj(t - 1) + (3) CjZj(t) where B is a fraction generally in the range 0.75 to 0.9. If Aj(t) for a particular i gets too far below the combined average for all i, then training focuses on the it" element until its average improves. The significance of the results given in Table I is not the details of the strategies used, nor how close the training times may be to the optimum. Rather, it is the demonstration that training strategies exist such that the training time grows significantly more slowly than in proportion to M. A Simple Pattern Recognizing Network As mentioned above, there are fewer threshold logic functions of N variables (for N > 1) than the total possible functions. x, -~))~---......p)oo-- Z For N = 2, there are 14. The remining two X2 _-0lil_1:;,._ ___ are the "exclusive or" (XOR) and its complement. Multi-layered networks are needed to realize these functions, and an Fig. 2. A Two-Element Network important test of any adaptive network That Learns XOR model is its ability to learn XOR. The network in Fig. 2 is one of the simplest networks capable of learning this function. Table II gives the results of 100 training sessions with this network. The strategy used to obtain these Ave Max Min Function Network results again had two 106 57 18 parts. The general part OR Fig. 2 1992 681 218 XOR Fig. 2 consisted of supplying -700 -3500 -14,300 each of the four possible XOR Ref. 2 2232 input patterns to the XOR Ref. 8 network in rotation, Table II. Training Times For The glvmg appropriate Network In Fig. 2. reinforcement each trial. The second part involved keeping a running average (similar to Eq. (3)) of the responses of the network by input combination. When the average for one combination fell significantly behind ?. 848 the average for all, training was focused on just that combination until performance improved. The criterion used for deciding when training was complete was a sequence of 50 correct responses (for all input patterns together). For comparison, Table II shows results for the same network trained to realize the normal OR function. Also shown for comparison are numbers taken from Refs. 2 and 8 for the equivalent network in those different models. These are nondeterministic and deterministic models, respectively. The numbers from Ref. 2 are not exactly comparable with the present results for several reasons. These include: 1) The criterion for judging when the task was learned was not the same; 2) In Ref. 2, the "wrong" reinforcement was deliberately applied 10% of the time to test learning in this situation; 3) Neither model was optimized for the particular task at hand. Nonetheless, if these (and other) differences were taken into account, it is likely that the NAT-net would have learned the XOR function significantly faster. The significance of the present results is that they suggest that the use of a training strategy can not only prevent a network from getting stuck, but may also facilitate more rapid learning. Thus, such strategies can compensate, or more than compensate, for reduced complexity in the reinforcement algorithm. A Simple Game-Playing Network Here, we consider NAT-nets in the context of the game of "matching pennies." In this game, each player has a stack of pennies. At each play of the game, each player places one of his pennies, heads up or heads down, but covered, in front of him. Each player uncovers his penny at the same time. If they match, player A adds both to his stack, otherwise, player B takes both. Game theory says that the strategy of each player that minimizes his maximum loss is to play heads and tails at random. Then A cannot predict B's behavior and at best can win 50% of the time and likewise for B with respect to A. This is a conservative strategy on the part of each player because each assumes that the other has (or can derive through a sequence of plays), and can use, information about the other player's strategy. Here, we make the different assumption that: 1) Player B does not play at random, 2) Player B has no information about A's strategy, and 3) Player B is incapable of inferring any information about A through a sequence of plays and in any event is incapable of changing its strategy. Then, if A has no information about B's pattern of playing at the start of the game, A's best course of action is to try to infer a non-random pattern in B's playing through a sequence of plays and subsequently take advantage of that knowledge to win more often than 50% of the time. An adaptive NAT-net, as A, can adapt appropriately in situations of this type. For example, suppose a single NAT of the type in Fig. 1 plays A, where + 1 output means heads, -1 output means tails. A third agent supplies reinforcement + 1 if the NAT wins a play, -1 otherwise. Suppose B plays heads with 0.55 probability and tails with 0.45 probability. Then A will learn over time to play heads 100% of the time and thereby maximize its total winnings by winning 55% of the time. A more complicated situation is the following. Suppose B repeats its own move two plays ago 80% of the time, and plays the opposite 20% of the time. A NAT-net with the potential to adapt to this strategy and win 80% of the time is shown in Fig. 3. This is a sequential network shown in the standard form of a combinational network (in the dotted rectangle) plus a feedback path. The input to the network at time tis B's play at t - 1. The output is A's move. The top NAT selects its output at time t based partly on the bottom NAT's output at time t - 1. The bottom NAT selects its output at t - 1 based on its input at that time which is B's output at t - 2. Thus, the network as a whole can learn to select its 849 output based on B's play two time increments past. Simulation of 100 sessions resulted in the network learning to do this 98 times. On average, it took 468 plays (Min 20, max 4137) to reach the point at which the network repeated B's move two H i - - - -.... Z x----~ times past on the next 50 plays. For two sessions the network got stuck (for an unknown number of plays greater than 25,000) playing the opposite of B's last move or always playing tails. {The first two-part strategy found that trains the network to repeat B's output two time increments past without getting stuck (not Fig. 3. A Sequential Gamein the game-playing context) took an Playing Network average of 260 trials (Min 25, Max 1943) to meet the training criterion.) The significance of these results is that a sequential NAT-net can learn to produce appropriate behavior. Note that hidden NATs contributed to appropriate behavior for both this network and the one that learned XOR, above. CONCLUDING REMARKS The examples above have been kept simple in order to make them readily understandable. They are not exhaustive in the sense of covering all possible types of situations in which NAT-nets can adapt appropriately. Nor are they definitive in the sense of proving generally and in what situations NAT-nets can adapt appropriately. Rather, they are illustrative in the sense of demonstrating a variety of significant adaptive abilities. They provide an existence proof that NAT-nets can adapt appropriately and relatively easily in a wide variety of situations. The fact that nondeterministic models can learn when the same reinforcement is applied to all adaptive elements, while deterministic models generally cannot, supports the hypothesis that animal nervous systems may be (partly) nondeterministic. Experimental characterization of how animal learning does, or does not get "stuck," as a function of learning environment or training strategy, would be a useful test of the ideas presented here. REFERENCES 1. 2. 3. 4. 5. 6. 7. 8. Barto, A. G., "Game-Theoretic Cooperativity in Networks of Self-Interested Units," pp. 41-46 in Neural Networks for Computing, J. S. Denker, Ed., AlP Conference Proceedings 151, American Institute of Physics, New York, 1986. Barto, A. G., Human Neurobiology, 4, 229-256, 1985. Barto, A. G., R. S. Sutton, and C. W. Anderson, IEEE Transactions on Systems, Man, and Cybernetics, SMC-13, No.5, 834-846, 1983. Barto, A. G., and P. Anandan, IEEE Transactions on Systems, Man, and Cybernetics, SMC-15, No.3, 360-375, 1985. Windecker, R. C., Information Sciences, 16, 185-234 (1978). Rumelhart, D. E., and J. L. McClelland, Parallel Distributed Processing, MIT Press, Cambridge, 1986. Muroga, S., Threshold Logic And Its Applications, Wiley-Interscience, New York, 1971. Rumelhart, D. E., G. E. Hinton, and R. J. Williams, Chapter 8 in Ref. 6.
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A Connectionist Model of the Owl's Sound Localization System D alliel J. Rosen? Department of Psychology Stanford University Stanford, CA 94305 David E. Rumelhart Department of Psychology Stanford University Stanford, CA 94305 Eric. I. Knudsen Department of Neurobiology Stanford University Stanford, CA 94305 Abstract ,,"'e do not have a good understanding of how theoretical principles of learning are realized in neural systems. To address this problem we built a computational model of development in the owl's sound localization system. The structure of the model is drawn from known experimental data while the learning principles come from recent work in the field of brain style computation. The model accounts for numerous properties of the owl's sound localization system, makes specific and testable predictions for future experiments, and provides a theory of the developmental process. 1 INTRODUCTION The barn owl, Tyto Alba, has a remarkable ability to localize sounds in space. In complete darkness it catches mice with nearly flawless precision. The owl depends upon this skill for survival, for it is a nocturnal hunter who uses audition to guide ?Current address: Keck Center for Integrative Neuroscience, UCSF, 513 Parnassus Ave., San Francisco, CA 94143-0444. 606 A Connectionist Model of the Owl's Sound Localization System its search for prey (Payne, 1970; Knudsen, Blasdel and Konishi, 1979). Central to the owl's localization system are the precise auditory maps of space found in the owl's optic tectum and in the external nucleus of the inferior colliculus (lex). The development of these sensory maps poses a difficult problem for the nervous system, for their accuracy depends upon changing relationships between the animal and its environment. The owl encodes information about the location of a sound source by the phase and amplitude differences with which the sound reaches the owl's two ears. Yet these differences change dramatically as the animal matures and its head grows. The genome cannot "know" in advance precisely how the animal's head will develop - many environmental factors affect this process - so it cannot encode the precise development of the auditory system. Rather, the genome must design the auditory system to adapt to its environment, letting it learn the precise interpretation of auditory cues appropriate for its head and ears. In order to understand the nature of this developmental process, we built a connectionist model of the owl's sound localization system, using both theoretical principles of learning and knowledge of owl neurophysiology and neuroanatomy. 2 THE ESSENTIAL SYSTEM TO BE MODELED The owl calculates the horizontal component of a sound source location by measuring the interaural time difference (lTD) of a sound as it reaches the two ears (Knudsen and Konishi, 1979). It computes the vertical component of the signal by determining the interaurallevel difference (ILD) of that same sound (Knudsen and Konishi, 1979). The animal processes these signals through numerous sub-cortical nuclei to form ordered auditory maps of space in both the ICx and the optic tectum. Figure 1 shows a diagram of this neural circuit. Neurons in both the ICx and the optic tectum are spatially tuned to auditory stimuli. Cells in these nuclei respond to sound signals originating from a restricted region of space in relation to the owl (Knudsen, 1984). Neurons in the ICx respond exclusively to auditory signals. Cells in the optic tectum, on the other hand, encode both audito!y and visual sensory maps, and drive the motor system to orient to the location of an auditory or visual signal. Researchers study the owl's development by systematically altering the animal's sensory experience, usually in one of two ways. They may fit the animal with a sound attenuating earplug, altering its auditory experience, or they may fit the owl with displacing prisms, altering its visual experience. Disturbance of either auditory or visual cues, during a period when the owl is developing to maturity, causes neural and behavioral changes that bring the auditory map of space back into alignment with the visua.l map, and/or tune the auditory system to be sensitive to the appropriate range of binaural sound signals. The earplug induced changes take place at the level of the VLVp, where ILD is first computed (Mogdans and Knudsen, 1992). The visually induced adjustment of the auditory maps of space seems to take place at the level of the ICx (Brainard and Knudsen, 1993b). The ability of the owl to adjust to altered sensory signals diminishes over time, and is greatly restricted in adulthood (Knudsen and Knudsen, 1990). 607 608 Rosen, Rumelhart, and Knudsen OVERVIEW of the BARN OWL'. SOUND LOCALIZATION SYSTEM ( ~~dIC ( NUCLBJS NUCLBJS MAGNOCEWJLAAIS MAGNOCB.LULAAIS T"'*'a L"". TIn*'II Figure 1: A chart describing the flow of auditory information in the owl's sound localization system. For simplicity, only the connections leading to the one of the bilateral optic tecta are shown. Nuclei labeled with an asterisk (*) are included in the model. Nuclei that process ILD and/or lTD information are so labeled. 3 THE NETWORK MODEL The model has two major components: a network architecture based on the neurobiology of the owl's localization system, as shown in Figure 1, and a learning rule derived from computational learning theory. The elements of the model are standard connectionist units whose output activations are sigmoidal functions of their weighted inputs. The learning rule we use to train the model is not standard. In the following section we describe how and why we derived this rule. 3.1 DEFINING THE GOAL OF THE NETWORK The goal of the network, and presumably the owl, is to accurately map sound signals to sound source locations. The network must discover a model of the world which best captures the relationship between sound signals and sound source locations. Recent work in connectionist learning theory has shown us ways to design networks that search for the model that best fits the data at hand (Buntine and Weigend, 1991; MacKay, 1992; Rumelhart, Durbin, Golden and Chauvin, in press). In this section we apply such an analysis to the localization network. A Connectionist Model of the Owl's Sound Localization System Table 1: A table showing the mathematical terms used in the analysis. I TERM M 1J P(MI1J) < X,Y>i xi Yi Yi Yij Wij 7Jj :F(7Jj) C 3.2 I MEANING The Model The Data Probability of the Model given the Data The set of i input/target training pairs The input vector for training trial i The target vector for training trial i The output vector for training trial i The value of output unit j on training trial i The weight from unit j to unit i The netinput to unit j The activation function of unit j evaluated at its netinput The term to be maximized by the network DERIVING THE FUNCTION TO BE MAXIMIZED The network should maximize the probability of the model given the data. Using Bayes' rule we write this probability as: P(MI1J) = P(1JIM)P(M) P(1J) . Here M represents the model (the units, weights and associated biases) and D represents the data. We define the data as a set of ordered pairs, [< soundsignal, location - signal >d, which represent the cues and targets normally used to train a connectionist network. In the owl's case the cues are the auditory signals, and the target information is provided by the visual system. (Table 1 lists the mathematical terms we use in this section.) We simplify this equation by taking the natural logarithm of each side giving: In P(MI1J) = In P(1JIM) + InP(M) -In P(1J). Since the natural logarithm is a monotonic transformation, if the network maximizes the second equation it will also maximize the first. The final term in the equation, In P(1J), represents the probability of the ordered pairs the network observes. Regardless of which model the network settles upon, this term remains the same - the data are a constant during training. Therefore we can ignore it when choosing a model. The second term in the equation, In P(M), represents the probability of the model. This is the prior term in Bayesian analysis and is our estimation of how likely it is that a particular model is true, regardless of the data. 'Ve will discuss it below. For now we will concentrate on maximizing In P(1JIM). 609 610 Rosen, Rumelhart, and Knudsen 3.3 ASSUMPTIONS ABOUT THE NETWORK'S ENVIRONMENT We assume that the training data - pairs of stylized auditory and visual signals are independent of one another and re-write the previous term as: = InP(VIM) L:lnP? i,Y>i 1M), i The i subscript denotes the particular data, or training, pair. We further expand this term to: In P(VIM) = Lin P(ih Iii 1\ M) + L: In P(Xi). i i We ignore the last term, since the sound signals are not dependent on the model. vVe are left, then, with the task of maximizing Li In P(Ui Iii 1\ M). It is important to note that Yi represents a visual signal, not a localization decision. The network attempts to predict its visual experience given its auditory experience. It does not predict the probability of making an accurate localization decision. If we assume that visual signals provide the target values for the network, then this analysis shows that the auditory map will always follow the visual map, regardless of whether this leads to accurate localization behavior or not. Our assumption is supported by experiments showing that, in the owl, vision does guide the formation of auditory spatial maps (Knudsen and Knudsen, 1985; Knudsen, 1988). Next, we must clarify the relationship between the inputs, Xi and the targets, ih. \Ve know that the real world is probabilistic - that for a given input there exists some distribution of possible target values. We need to estimate the shape of this distribution. In this case we assume that the target values are binomially distributed - that given a particular sound signal, the visual system did or did not detect a sound source at each point in owl-centered space. Having made this assumption, we can clarify our interpretation of the network output array, Y~. Each element, Yij, of this vector represents the activity of output unit j on training trial i. We assume that the output activation of each of these units represents the expected value of its corresponding target, Yij. In this case the expected value is the mean of a binomial distribution. So the value of each output unit Yij represents the probability that a sound signal originated from that particular location. vVe now write the probability of the data given the model as: P(yilxi 1\ M) = II yft (1 - Yij )l-Yi j . j Taking the natural log of the probability and summing over all data pairs we get: C= L L: Yij In Yij + (1 i Yij) In( 1 - Yij) j where C is the term we want to maximize. This is the standard cross-entropy term. 3.4 DERIVING THE LEARNING RULE Having defined our goal we derive a learning rule appropriate to achieving that goal. To determine this rule we compute :~ where 7}j is the net input to a unit. (In these A Connectionist Model of the Owl's Sound Localization System equations we have dropped the i subscript, which denotes the particular training trial, since this analysis is identical for all trials.) We write this as: where aF( '1]j) is the derivative of a unit's activation function evaluated at its net input. Next we choose an appropriate activation function for the output units. The logistic 1_,,"), is a good choice for two reasons. First, it is bounded by function, F('1]j) l+e , zero and one. This makes sense since we assume that the probability that a sound signal originated at anyone point in space is bounded by zero and one. Second, when we compute the derivative of the logistic function we get the following result: =( aF('1]j) = F('1]j)(I- F('1]j)) = 1/j(1- 1/j). This term is the variance of a binomial distribution and when we return to the derivative of our cost function, we see that this variance term is canceled by the denominator. The final derivative we use to compute the weight changes at the output units is therefore: ac ~ <X u'1]j (Yj - ~ ) Yj . The weights to other units in the network are updated according to the standard backpropagation learning algorithm. 3.5 SPECIFYING MODEL PRIORS There are two types of priors in this model. First is the architectural one. We design a fixed network architecture, described in the previous section, based upon our knowledge of the nuclei involved in the owl's localization system. This is equivalent to setting the prior probability of this architecture to 1, and all others to O. We also use a weight elimination prior. This and similar priors may be interpreted as ways to reduce the complexity of a network (\Veigend, Huberman and Rumelhart, 1990). The network, therefore, maximizes an expression which is a function of both its error and complexity. 3.6 TRAINING We train the model by presenting it with input to the core of the inferior colli cui us (ICc), which encodes interaural phase and time differences (IPD/ITD), and the angular nuclei, which encode sound level. The outputs of the network are then compared to target values, presumed to come from the visual system. The weights are adjusted in order to minimize this difference. \Ve mimic plug training by varying the average difference between the two angular input values. We mimic prism training by systematically changing the target values associated with an input. 611 612 Rosen, Rumelhart, and Knudsen Figure 2: The activity level of lex units in response to a particular auditory input immediately after simulated prism training was begun (left), midway through training (middle) and after training was completed (right). 4 RESULTS and DISCUSSION The trained network localizes accurately, shows appropriate auditory tuning curves in each of the modeled nuclei, and responds appropriately to manipulations that mimic experiments such as blocking inhibition at the level of the lex. The network also shows appropriate responses to changing average binaural intensity at the level of the VLVp, the lateral shell and the lex. Furthermore, the network exhibits many properties found in the developing owl.. The model appropriately adjusts its auditory localization behavior in simulated earplug experiments and this plasticity takes place at the level of the VLVp. As earplug simulations are begun progressively later in training, the network's ability to adapt to plug training gradually diminishes, following a time course of plasticity qualitatively similar to the sensitive and critical periods described in the owl. The network adapts appropriately in simulated prism studies and the changes in response to these simulations primarily take place along the lateral shell to lex connections. As with the plug studies, the network's ability to adapt to prisms diminishes over time. However, unlike the mature owl, a highly trained network retains the ability to adapt in a simulated prism experiment. We also discovered that the principally derived learning rule better models intermediate stages of prism adjustment than does a standard back-propagation network. Brainard and Knudsen (1993a) report observing two peaks of activity across the tectum in response to an auditory stimulus during prism training - one corresponding to the pre-training response and one corresponding to the newly learned response. Over time the pre-trained response diminishes while the newly learned one grows. As shown in Figure 2, the network exhibits this same pattern of learning. Networks we trained under a standard back-propagation learning algorithm do not. Such a A Connectionist Model of the Owl's Sound Localization System result lends support to the idea that the owl's localization system is computing a function similar to the one the network was designed to learn. In addition to accounting for known data, the network predicts results of experiments it was not designed to mimic. Specifically, the network accurately predicted that removal of the animal's facial ruff, which causes ILD to vary with azimuth instead of elevation, would have no effect on the animal's response to varying ILD. The network accomplishes the goals for which it was designed. It accounts for much, though not all, of the developmental data, it makes testable predictions for future experiments, and since we derived the learning rule in a principled fashion, the network provides us with a specific theory of the owl's sound localization system. References Brainard, M. S., & Knudsen, E. 1. (1993a). Dynamics of the visual calibration of the map of interaural time difference in the barn owl's optic tectum. Society Jor Neuroscience Abstracts, 19, 369.8. Brainard, M. S., & Knudsen, E. 1. (1993b). Experience-dependent plasticity in the inferior colliculus: a site for visual calibration of the neural representation of auditory space in the barn owl. The Journal of Neuroscience, 13, 4589-4608. Buntine, W. L., & Weigend, A. S. (1991). Bayesian back-propagation. Complex Systems, 5, 603-612. Knudsen, E. (1984). Auditory properties of space-tuned units in owl's optic tectum. Journal of Neurophysiology, 52(4), 709-723. Knudsen, E. (1988). Early blindness results in a degraded auditory map of space in the optic tectum of the barn owl. Proceedings of the National Academy of Science, U.S.A., 85, 6211-6214. Kuudsen, E., Blasdel, G., & Konishi, M. (1979). Sound localization by the barn owl (tyto alba) measured with the search coil technique. The Journal of Comparative Physiology A, 133, 1-11. Knudsen, E., & Knudsen, P. (1985). Vision guides the adjustment of auditory localization in young barn owls. Science, 230, 545-548. Knudsen, E., & Knudsen, P. (1990). Sensitive and critical periods for visual calibration of sound localization by barn owls. The Journal of Neuroscience, 10(1), 222-232. MacKay, D. J. (1992). Bayesian Methods for Adaptive :Models. Unpublished doctoral dissertation, California Institute of Technology, Pasadena, California. Mogdans, J., & Knudsen, E. 1. (1992). Adaptive adjustment of unit tuning to sound localization cues in response to monaural occlusion in developing owl optic tectum. The Journal of Neuroscience, 12, 3473-3484. Payne, R. S. (1970). Acoustic location of prey by barn owls (tyto alba). The Journal of Experimental Biology, 54, 535-573. Rumelhart, D. E., Durbin, R., Golden, R., & Chauvin, Y. (in press). Backpropagation: The theory. In Y. Chauvin & D. E. Rumelhart (Eds.), Backpropagation: Theory, Architectures and Applications. Hillsdale, N.J.: Lawrence Earlbaum Associates. Weigend, A. S., Huberman, B. A., & Rumelhart, D. E. (1990). Predicting the future: A connectionist approach. International Journal of Neural Systems, 1, 193-209. 613
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Supervised Learning with Growing Cell Structures Bernd Fritzke Institut fiir Neuroinformatik Ruhr-U niversitat Bochum Germany Abstract We present a new incremental radial basis function network suitable for classification and regression problems. Center positions are continuously updated through soft competitive learning. The width of the radial basis functions is derived from the distance to topological neighbors. During the training the observed error is accumulated locally and used to determine where to insert the next unit. This leads (in case of classification problems) to the placement of units near class borders rather than near frequency peaks as is done by most existing methods. The resulting networks need few training epochs and seem to generalize very well. This is demonstrated by examples. 1 INTRODUCTION Feed-forward networks of localized (e.g., Gaussian) units are an interesting alternative to the more frequently used networks of global (e.g., sigmoidal) units. It has been shown that with localized units one hidden layer suffices in principle to approximate any continuous function, whereas with sigmoidal units two layers are necessary. In the following we are considering radial basis function networks similar to those proposed by Moody & Darken (1989) or Poggio & Girosi (1990). Such networks consist of one layer L of Gaussian units. Each unit eEL has an associated vector We E R n indicating the position of the Gaussian in input vector space and a standard 255 256 Fritzke deviation by Uc. For a given input datum eE R n the activation of unit c is described D c ('"C) -_ exp (_ lie - wcll2) 2? Uc (1) On top of the layer L of Gaussian units there are m single layer percepirons. Thereby, m is the output dimensionality of the problem which is given by a number of input/output pairsl (e, () E (Rn x Rm). Each of the single layer perceptrons computes a weighted sum of the activations in L: Oi(e) = L Wij Dj (0 iE{1, ... ,m} (2) jEL With Wij we denote the weighted connection from local unit j to output unit i. Training of a single layer perceptron to minimize square error is a very well understood problem which can be solved incrementally by the delta rule or directly by linear algebra techniques (Moore-Penrose inverse). Therefore, the only (but severe) difficulty when using radial basis function networks is choosing the number of local units and their respective parameters, namely center position wand width u. One extreme approach is to use one unit per data points and to position the units directly at the data points. If one chooses the width of the Gaussians sufficiently small it is possible to construct a network which correctly classifies the training data, no matter how complicated the task is (Fritzke, 1994). However, the network size is very large and might even be infinite in the case of a continuous stream of non-repeating stochastic input data. Moreover, such a network can be expected to generalize poorly. Moody & Darken (1989), in contrast, propose to use a fixed number of local units (which is usually considerably smaller than the total number of data points). These units are first distributed by an unsupervised clustering method (e.g., k-means). Thereafter, the weights to the output units are determined by gradient descent. Although good results are reported for this method it is rather easy to come up with examples where it would not perform well: k-means positions the units based on the density of the training data, specifically near density peaks. However, to approximate the optimal Bayesian a posteriori classifier it would be better to position units near class borders. Class borders, however, often lie in regions with a particularly low data density. Therefore, all methods based on k-means-like unsupervised placement of the Gaussians are in danger to perform poorly with a fixed number of units or - similarly undesirable - to need a huge number of units to achieve decent performance. From this one can conclude that - in the case of radial basis function networks - it is essential to use the class labels not only for the training of the connection weights but also for the placement of the local units. Doing this forms the core of the method proposed below. IThroughout this article we assume a classification problem and use the corresponding terminology. However, the described method is suitable for regression problems as well. Supervised Learning with Growing Cell Structures 2 SUPERVISED GROWING CELL STRUCTURES In the following we present an incremental radial basis function network which is able to simultaneously determine a suitable number of local units, their center positions and widths as well as the connection weights to the output units. The basic idea is a very simple one : O. Start with a very small radial basis function network. 1. Train the current network with some I/O-pairs from the training data. 2. Use the observed accumulated error to determine where in input vector space to insert new units. 3. If network does not perform well enough goto 1. One should note that during the training phase (Step 1.) error is accumulated over several data items and this accumulated error is used to determine where to insert new units (Step 2.). This is different from the approach of Platt (1991) where insertions are based on single poorly mapped patterns. In both cases, however, the goal is to position new units in regions where the current network does not perform well rather than in regions where many data items stem from. In our model the center positions of new units are interpolated from the positions of existing units. Specifically, after some adaptation steps we determine the unit q which has accumulated the maximum error and insert a new unit in between q and one of its neighbors in input vector space. The interpolation procedure makes it necessary to allow the center positions of existing units to change. Otherwise, all new units would be restricted to the convex hull of the centers of the initial network. We do not necessarily insert a new unit in between q and its nearest neighbor. Rather we like to choose one of the units with adjacent Voronoi regions 2 . In the two-dimensional case these are the direct neighbors of q in the Delaunay triangulation (Delaunay-neighbors) induced by all center positions. In higher-dimensional spaces there exists an equivalent based on hypertetrahedrons which, however, is very hard to compute. For this reason, we arrange our units in a certain topological structure (see below) which has the property that if two units are direct neighbors in that structure they are mostly Delaunay-neighbors. By this we get with very little computational effort an approximate subset of the Delaunay-neighbors which seems to be sufficient for practical purposes. 2.1 NETWORK STRUCTURE The structure of our network is very similar to standard radial basis function networks. The only difference is that we arrange the local units in a k-dimensional 1, triangles topological structure consisting of connected simplices 3 (lines for k = 2The Voronoi region of a unit c denotes the part of the input vector space which consists of points for which c is the nearest unit. 3 A historical reason for this specific approach is the fact that the model was developed from an unsupervised network (see Fritzke, 1993) where the k-dimensional neighborhood was needed to reduce dimensionality. We currently investigate an alternative (and more 257 258 Fritzke = = for k 2, tetrahedrons for k 3 and hypertetrahedrons for larger k). This arrangement is done to facilitate the interpolation and adaptation steps described below. The initial network consists of one k-dimensional simplex (k + 1 local units fully connected with each other). The neighborhood connections are not weighted and do not directly influence the behavior of the network. They are, however, used to determine the width of the Gaussian functions associated with the units. Let for each Gaussian unit c denote Ne the set of direct topological neighbors in the topological structure. Then the width of c is defined as (je = (1/INe l) L: Ilwe - wdl12 (3) dEN c which is the mean distance to the topological neighbors. If topological neighbors have similar center positions (which will be ensured by the way adaptation and insertion is done) then this leads to a covering ofthe input vector space with partially overlapping Gaussian functions. 2.2 ADAPTATION It was mentioned above that several adaptation steps are done before a new unit is inserted. One single adaptation step is done as follows (see fig. 1): ? Chose an I/O-pair (e,(),e E Rn,( E Rm) from the training data. e (the so-called best-matching unit). Move the centers of s and its direct topological neighbors towards e. ? determine the unit s closest to ? dWe = en (e - eb and en are small constants with eb > > en. we) for all c E N~ ? Compute for each local unit eEL the activation De(e) ? Compute for each output unit i the activation Oi (see eqn. 1) (see eqn. 2) ? Compute the square error by m SE = L:?(i - Oi)2 i=l ? Accumulate error at best-matching unit s: derrs = SE ? Make Delta-rule step for the weights (a denotes the learning rate): iE{1, ... ,m},jEL Since together with the best-matching unit always its direct topological neighbors are adapted, neighboring units tend to have similar center positions. This property can be used to determine suitable center positions for new units as will be demonstrated in the following. Supervised Learning with Growing Cell Structures a) Before ... b) during, and ... c) ... after adaptation Figure 1: One adaptation step. The center positions of the current network are shown and the change caused by a single input signal. The observed error SE for this pattern is added to the local error variable of the best-matching unit. f a) Before ... b) ... and after insertion Figure 2: Insertion of a new unit. The dotted lines indicate the Voronoi fields. The unit q has accumulated the most error and, therefore, a new unit is inserted between q and one of its direct neighbors. 2.3 INSERTION OF NEW UNITS After a constant number A of adaptation steps a new unit is inserted. For this purpose the unit q with maximum accumulated error is determined. Obviously, q lies in a region of the input vector space where many misclassifications occur. One possible reason for this is that the gradient descent procedure is unable to find suitable weights for the current network. This again might be caused by the coarse resolution at this region of the input vector space: if data items from different classes are covered by the same local unit and activate this unit to about the same degree then it might be the case that their vectors of local unit activations are nearly identical which makes it hard for the following single layer perceptrons to distinguish among them. Moreover, even if the activation vectors are sufficiently different they still might be not linearly separable. accurate) approximation of the Delaunay triangulation which is based on the "Neural-Gas" method proposed by Martinetz & Schulten (1991). 259 260 Fritzke o .. ? o o ? o ? 0 0 ???? ? ? o ? 0 0 ? ? o. 0 ? 00000 00 ? 0 g ?0 0 ? ? 0 ? .o.o:~~oo.o.o .o?.~"~?o o -. ?? o 0 -.... o 0 ? ? 0 .... .. o 0 0 a) two spiral problem: 194 points in two classes b) decision regions for CascadeCorrelation (reprinted with permission from Fahlman & Lebiere, 1990) Figure 3: Two spiral problem and learning results of a constructive network. The insertion of a new local unit near q is likely to improve the situation: This unit will probablY be activated to a different degree by the data items in this region and will, therefore, make the problem easier for the single layer perceptrons. What exactly are we doing? We choose one of the direct topological neighbors of q, say a unit f (see also fig. 2). Currently this is the neighbor with the maximum accumulated error. Other choices, however, have shown good results as well, e.g., the neighbor with the most distant center position or even a randomly picked neighbor. We insert a new unit r in between q and f and initialize its center by (4) We connect the new unit with q and f and with all common neighbors of q and f. The original connection between q and f is removed. By this we get a structure of k-dimensional simplices again. The new unit gets weights to the output units which are interpolated from the weights of its neighbors. The same is done for the initial error variable which is linearly interpolated from the variables of the neighbors of r. After the interpolation all the weights of r and its neighbors and the error variables of these units are multiplied by a factor INrl/(INrl + 1)1. This is done to disturb the output of the network as less as possible 4 ? However, the by far most important 4The redistribution of the error variable is again a relict from the unsupervised version (Fritzke, 1993). There we count signals rather than accumulate error. An elaborate scheme for redistributing the signal counters is necessary to get good local estimates of the probability density. For the supervised version this redistribution is harder to justify since the insertion of a new unit in general makes previous error information void. However, even though there is still some room for simplification, the described scheme does work very well already in its present form. Supervised Learning with Growing Cell Structures o a) final network with 145 cells b) decision regions Figure 4: Performance of the Growing Cell Structures on the two spiral benchmark. decision seems to be to insert the new unit near the unit with maximum error. The weights and the error variables adjust quickly after some learning steps. 2.4 SIMULATION RESULTS Simulations with the two spiral problem (fig. 3a) have been performed. This classification benchmark has been widely used before so that results for comparison are readily available.Figure 3b) shows the result of another constructive algorithm. The data consist of 194 points arranged on two interlaced spirals in the plane. Each spiral corresponds to one class. Due to the high nonlinearity of the task it is particular difficult for networks consisting of global units (e.g., multi-layer perceptrons). However, the varying density of data points (which is higher in the center of the spirals) makes it also a challenge for networks of local units. As for most learning problems the interesting aspect is not learning the training examples but rather the performance on new data which is often denoted as generalization. Baum & Lang (1991) defined a test set of 576 points for this problem consisting of three equidistant test points between each pair of adjacent same-class training points. They reported for their best network 29 errors on the test set in the mean. In figure 4 a typical network generated by our method can be seen as well as the corresponding decision regions. No errors on the test set of Baum and Lang are made. Table 1 shows the necessary training cycles for several algorithms. The new growing network uses far less cycles than the other networks. Other experiments have been performed with a vowel recognition problem (Fritzke, 1993). In all simulations we obtained significantly better generalization results than Robinson (1989) who in his thesis investigated the performance of several connectionist and conventional algorithms on the same problem. The necessary 261 262 Fritzke Table 1: Training epochs necessary for the two spiral problem network model Backpropagation Cross Entropy BP Cascade-Correlation Growmg Cell Structures epochs 20000 10000 1700 180 test error yes yes yes no reported in Lang & Witbrock (1989) Lang & Witbrock (1989) Fahlman & Lebiere (1990) Fntzke ( 1993) number of training cycles for our method was lower by a factor of about 37 than the numbers reported by Robinson (1993, personal communication). REFERENCES Baum, E. B. & K. E. Lang [1991]' "Constructing hidden units using examples and queries," in Advances in Neural Information Processing Systems 3, R.P. Lippmann, J.E. Moody & D.S. Touretzky, eds., Morgan Kaufmann Publishers, San Mateo, 904910. Fahlman, S. E. & C. Lebiere [1990], "The Cascade-Correlation Learning Architecture," in Advances in Neural Information Processing Systems 2, D.S. Touretzky, ed., Morgan Kaufmann Publishers, San Mateo, 524-532. Fritzke, B. [1993], "Growing Cell Structures - a self-organizing network for unsupervised and supervised learning," International Computer Science Institute, TR-93-026, Berkeley. Fritzke, B. [1994], "Making hard problems linearly separable - incremental radial basis function approaches," (submitted to ICANN'94: International Conference on Artificial Neural Networks), Sorrento, Italy. Lang, K. J. & M. J. Witbrock [1989], "Learning to tell two spirals apart," in Proceedings of the 1988 Connectionist Models Summer School, D. Touretzky, G. Hinton & T . Sejnowski, eds., Morgan Kaufmann, San Mateo, 52-59. Martinetz, T. M. & K. J. Schulten [1991]' "A "neural-gas" network learns topologies," in Artificial Neural Networks, T. Kohonen, K. Makisara, O. Simula & J. Kangas, eds., North-Holland, Amsterdam, 397-402. Moody, J. & C. Darken [1989], "Learning with Localized Receptive Fields," in Proceedings of the 1988 Connectionist Models Summer School, D. Touretzky, G. Hinton & T. Sejnowski, eds., Morgan Kaufmann, San Mateo, 133-143. Platt, J. C. [1991], "A Resource-Allocating Network for Function Interpolation," Neural Computation 3, 213-225. Poggio, T. & F. Girosi [1990], "Regularization Algorithms for Learning That Are Equivalent to Multilayer Networks," Science 247, 978-982. Robinson, A. J. [1989], "Dynamic Error Propagation Networks," Cambridge University, PhD Thesis, Cambridge.
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Figure of Merit Training for Detection and Spotting Eric I. Chang and Richard P. Lippmann MIT Lincoln Laboratory Lexington, MA 02173-0073, USA Abstract Spotting tasks require detection of target patterns from a background of richly varied non-target inputs. The performance measure of interest for these tasks, called the figure of merit (FOM), is the detection rate for target patterns when the false alarm rate is in an acceptable range. A new approach to training spotters is presented which computes the FOM gradient for each input pattern and then directly maximizes the FOM using b ackpropagati on. This eliminates the need for thresholds during training. It also uses network resources to model Bayesian a posteriori probability functions accurately only for patterns which have a significant effect on the detection accuracy over the false alarm rate of interest. FOM training increased detection accuracy by 5 percentage points for a hybrid radial basis function (RBF) - hidden Markov model (HMM) wordspotter on the credit-card speech corpus. 1 INTRODUCTION Spotting tasks require accurate detection of target patterns from a background of richly varied non-target inputs. Examples include keyword spotting from continuous acoustic input, spotting cars in satellite images, detecting faults in complex systems over a wide range of operating conditions, detecting earthquakes from continuous seismic signals, and finding printed text on images which contain complex graphics. These problems share three common characteristics. First, the number of instances of target patterns is unknown. Second, patterns from background, non-target, classes are varied and often difficult to model accurately. Third, the performance measure of interest, called the figure of merit (FOM), is the detection rate for target patterns when the false alarm rate is over a specified range. Neural network classifiers are often used for detection problems by training on target and background classes, optionally normalizing target outputs using the background output, 1019 1020 Chang and Lippmann PUTATIVE HITS nA uS I NORMALIZATION AND THRESHOLDING I jl A Us ~~ SACKG ROUND CLASSIFIER t INPUT PATTERN Figure 1. Block diagram of a spotting system. and thresholding the resulting score to generate putative hits, as shown in Figure 1. Putative hits in this figure are input patterns which generate normalized scores above a threshold. We have developed a hybrid radial basis function (RBF) - hidden Markov model (HMM) keyword spotter. This wordspotter was evaluated using the NIST credit card speech database as in (Rohlicek, 1993, Zeppenfeld, 1993) using the same train/evaluation split of the training conversations as was used in (Zeppenfeld, 1993). The system spots 20 target keywords, includes one general filler class, and uses a Viterbi decoding backtrace as described in (Lippmann, 1993) to backpropagate errors over a sequence of input speech frames. The performance of this spotting system and its improved versions is analyzed by plotting detection versus false alarm rate curves as shown in Figure 2. These curves are generated by adjusting the classifier output threshold to allow few or many putative hits. Wordspotter putative hits used to generate Figure 2 correspond to speech frames when the difference between the cumulative log Viterbi scores in output HMM nodes of word and filler models is above a threshold. The FOM for this wordspotter is defined as the average keyword detection rate when the false alarm rate ranges from 1 to 10 false alarms per keyword per hour. The 69.7% figure of merit for this system means that 69.7% of keyword occurrences are detected on the average while generating from 20 to 200 false alarms per hour of input speech. 2 PROBLEMS WITH BACKPROPAGATION TRAINING Neural network classifiers used for spotting tasks can be trained using conventional backpropagation procedures with 1 of N desired outputs and a squared error cost function. This approach to training does not maximize the FOM because it attempts to estimate Bayesian a posteriori probability functions accurately for all inputs even if a particular input has little effect on detection accuracy at false alarm rates of interest. Excessive network resources may be allocated to modeling the distribution of common background inputs dissimilar from targets and of high-scoring target inputs which are easily detected. This problem can be addressed by training only when network outputs are above thresholds. This approach is problematic because it is difficult to set the threshold for different keywords, because using fixed target values of 1.0 and 0.0 requires careful normalization of network output scores to prevent saturation and maintain backpropagation effectiveness, and because the gradient calculated from a fixed target value does not reflect the actual impact on the FOM. Figure of Merit Training for Detection and Spotting 100 A SPLIT OF CREDIT-CARD TRAINING DATA z 90 (J) 80 0 70 W t- 60 w c 50 tO 40 w 0 i= ????????? :::.:./.::.:: ..!!!.. /'-:,/, /f a:: 30 a:: 0 0 0~ 20 10 0 - ~.~ ......... u::.~ ...:::.. ","I'I .. ~.~I'iI.I: l- - FOM BACK-PROP (FOM: 69.7%) ./ EMBEDDED REESTIMATION (FOM: 64.5%) ISOLATED WORD TRAIN (FOM: 62.5%) 0 2 4 6 8 10 FALSE ALARMS PER KW PER HR Figure 2. Detection vs. false alarm rate curve for a 20-word hybrid wordspotter. Figure 3 shows the gradient of true hits and false alarms when target values are set to be 1.0 for true hits and 0.0 for false alarms, the output unit is sigmoidal, and the threshold for a putative hit is set to roughly 0.6. The gradient is the derivative of the squared error cost with respect to the input of the sigmodal output unit. As can be seen, low-scoring hits or false alarms that may affect the FOM are ignored, the gradient is discontinuous at the threshold, the gradient does not fall to zero fast enough at high values, and the relative sizes of the hit and false alarm gradients do not reflect the true effect of a hit or false alarm on the FOM. 3 FIGURE OF MERIT TRAINING A new approach to training a spotter system called "figure of merit training" is to directly compute the FOM and its derivative. This derivative is the change in FOM over the change in the output score of a putative hit and can be used instead of the derivative of a squarederror or other cost function during training. Since the FOM is calculated by sorting true hits and false alarms separately for each target class and forming detection versus false alarm curves, these measures and their derivatives can not be computed analytically. Instead, the FOM and its derivative are computed using fast sort routines. These routines insert a new 0.2 r--------------------, THRESHOLD !zw ?Ci a: HIT GRADIENT L....... 0 I-----------f------==-'-'""!l .0.2 L....................L..............~_'_'_~............L....................J'_'_'_~.................J.......................L.<_.'-'--'-J.......o............ <!) GRADIENT o 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0,8 0.9 OUTPUT VALUE Figure 3. The gradient for a sigmoid output unit when the target value for true hits is set to 1.0 and the target value for false alarms is set to 0.0. 1021 1022 Chang and Lippmann putative hit into an already sorted list and calculate the change in the FOM caused by that insertion. The running putative hit list used to compute the FOM is updated after every new putative hit is observed and it must contain all putative hits observed during the most recent past training cycle through all training patterns. The gradient estimate is smoothed over nearby putative hit scores to account for the quantized nature of detection versus false alarm rate curves. Figure 4 shows plots of linearly scaled gradients for the 20-word hybrid wordspotter. Each value on the curve represents the smoothed change in the FOM that occurs when a single hit or false alarm with the specified normalized log output score is inserted into the current putative hit list. Gradients are positive for putative hits corresponding to true hits and negative for false alarms. They also fall off to zero for putative hits with extremely high or low scores. Shapes of these curves vary across words. The relative importance of a hit or false alarm, the normalized output score which results in high gradient values, and the shape of the gradient curve varies. Use of a squared error or other cost function with sigmoid output nodes would not generate this variety of gradients or automatically identify the range of putative hit scores where gradients should be high. Application ofFOM training requires only the gradients shown in these curves with no supplementary thresholds. Patterns with low and high inputs will have a minimal effect during training without using thresholds because they produce gradients near zero. Different keywords have dramatically different gradients. For example, credit-card is long and the detection rate is high. The overall FOM thus doesn't change much if more true hits are found. A high scoring false alarm, however, decreases the FOM drastically. There is thus a large negative gradient for false alarms for credit-card. The keywords account and check are usually short in duration and thus more difficult to detect, thus any increase in number of true hits strongly increases the overall FOM. On the other hand, since in this database, the words account and check occur much less frequently than credit-card, a high scoring false alarm for the words account and check has less impact on the overall FOM. The gradient for false alarms for these words is thus correspondingly smaller. Comparing the curves in Figure 3 with the fixed prototypical curve in Figure 4 demonstrates the dramatic differences in gradients that occur when the gradient is calculated to maximize the FOM directly instead of using a threshold with sigmoid output nodes. "ACCOUNT" "CHECK' "CREDIT-CARD' 0.3 r - - - - - - - , HIT o FA ~ w is -03 ? ffi -D.6 -0. 9 ~--'--.L..-L--'--.L...-L---' -100 0 100 200 300 -100 0 100 200 300 -100 0 100 200 300 PUTATIVE HIT SCORE Figure 4. Figure of merit gradients computed for true hits (HIT) and false alarms (FA) with scores ranging from -100 to 300 for the keywords account, check, and credit-card. Figure of Merit Training for Detection and Spotting FaM training is a general technique that can applied to any "spotting" task where a set of targets must be discriminated from background inputs. FaM training was successfully tested using the hybrid radial basis function (RBF) - hidden Markov model (HMM) keyword spotter described in (Lippmann, 1993). 4 IMPLEMENTATION OF FOM TRAINING FaM training is applied to our high-performance HMM wordspotter after forward-backward training is complete. Word models in the HMM wordspotter are first used to spot on training conversations. The FaM gradient of each putative hit is calculated when this hit is inserted into the putative hit list. The speech segment corresponding to a putative hit is excised from the conversation speech file and the corresponding keyword model is used to match each frame with a particular state in the model using a Viterbi backtrace (shown in Figure 5.) The gradient is then used to adjust the location of each Gaussian component in a node as in RBF classifiers (Lippmann, 1993) and also the state weight of each state. The state weight is a penalty added for each frame assigned to a state. The weight for each individual state is adjusted according to how important each state is to the detection of the keyword. For example, many false alarms for the word card are words that sound like part of the keyword such as hard or far. The first few states of the card model represent the sound /kJ and false alarms stay in these front states only a short time. If the state weight of the first few states of the card model is large, then a true hit has a larger score than false alarms. The putative hit score which is used to detect peaks representing putative hits is generated according to Stota I = In this equation, Stotal Sk eywor d - is the putative hit score, (EQ 1) SJrll r er . Skeyword is the log Viterbi score in the RAW KEYWORD SCORE ?? ? ? ? ? ? ? ? ? RADIAL BASIS FUNCTIO NODES V~TERBI ALIGNMENT Figure 5. State weights and center updates are applied to the state that is matched to each frame in a Viterbi backtrace. 1023 1024 Chang and Lippmann last node of a specific keyword model computed using the Viterbi algorithm from the beginning of the conversation to the frame where the putative hit ended, and SIi/Ie r is the log Viterbi score in the last node of the filler model. The filler score is used to normalize the keyword score and approximate a posterior probability. The keyword score is calculated using a modified form of the Viterbi algorithm a./ (t + 1) = max(a /. (t) + a /,../ , a./- 1 (t) + a./-1, /.) + d /. (t, x) + W /.? (EQ2) This equation is identical to the normal Viterbi recursion for left-to-right linear word models after initialization, except the extra state score wi is added. In this equation, a i (t) is the log Viterbi score in node i at time t, a j . is the log of the transition probability from node i to node j ,and d j (t, x) is the log lik~lihood distance score for node i for the input feature vector x at time t . Word scores are computed and a peak-picking algorithm looks for maxima above a low threshold. After a peak representing a putative hit is detected, frames of a putative hit are aligned with the states in the keyword model using the Viterbi backtrace and both the means of Gaussians in each state and state weights of the keyword model are modified. State weights are modified according to (EQ 3) In this equation, Wj (t) is the state weight in node i at time t, gradient is the FOM gradient for the putative hit, llstate is the stepsize for state weight adaptation, and duration is the number of frames aligned to node i . If a true hit occurs, and the gradient is positive, the state weight is increased in proportion to the number of frames assigned to a state. If a false alarm occurs, the state weight is reduced in proportion to the number of frames assigned to a state. The state weight will thus be strongly positive if there are many more frames for a true hit that for a false alarm. It will be strongly negative if there are more frames for a false alarm than for a true hit. High state weight values should thus improve discrimination between true hits and false alarms. The center of the Gaussian components within each node, which are similar to Gaussians in radial basis function networks, are modified according to m .. (t+ 1) V = miJ. (t) x.(t) -m .. (t) +gradientxllcenterX J /J a /J.. (EQ4) In this equation, m j . (t) is the j th component of the mean vector for a Gaussian hidden node in HMM state 1at time t, gradient is the FOM gradient, llcenter is the stepsize for moving Gaussian centers, x? (t) is the value of the j th component of the input feature vector at time t, and a j . is the'standard deviation of the j th component of the Gaussian hidden node in HMM st~te i . For each true hit, the centers of Gaussian hidden nodes in a state move toward the observation vectors of frames assigned to a particular state. For a false alarm, the centers move away from the observation vectors that are assigned to a particular state. Over time, the centers move closer to the true hit observation vectors and further away from false alarm observation vectors. Figure of Merit Training for Detection and Spotting 0.95 , - - - - - - - - - - - - - - - - - - - - - . , 0.9 FEMALE TRAIN 0.85 0.8 \--_,,-r 0.75 FOM 0.7 0.65 0.6 L---~~~~------~ MALE TEST 0.55 0.5 L..-_.....J-_ _.l.....-_--'--_ _.J...-_---'-_ _...L...-_--'-_-----' o 20 40 60 80 100 120 NUMBER OF CONVERSATIONS 140 160 Figure 6. Change in FOM vs. the number of conversations that the models have been trained with. There were 25 male training conversations and 23 female training conversations. 5 EXPERIMENTAL RESULTS Experiments were performed using a HMM wordspotter that was trained using maximum likelihood algorithm. More complicated models were created for words which occur frequently in the training set. The word models for card and credit-card were increased to four mixtures per state. The models for cash, charge, check, credit, dollar, interest, money, month, and visa were increased to two mixtures per state. All other word models had one mixture per state. The number of states per keyword is roughly 1.5 times the number of phonemes in each keyword. Covariance matrices were diagonal and variances were estimated separately for all states. All systems were trained on the first 50 talkers in the credit card training corpus and evaluated using the last 20 talkers. An initial set of models was trained during 16 passes through the training data using wholeword training and Viterbi alignment on only the excised words from the training conversations. This training provided a FOM of 62.5% on the 20 evaluation talkers. Embedded forward-backward reestimation training was then performed where models of keywords and fillers are linked together and trained jointly on conversations which were split up into sentence-length fragments. This second stage ofHMM training increased the FOM by two percentage points to 64.5%. The detection rate curves of these systems are shown in Figure 2. FOM training was then performed for six passes through the training data. On each pass, conversations were presented in a new random order. The change in FOM for the training set and the evaluation set is shown in Figure 6. The FOM on the training data for both male and female talkers increased by more than 10 percentage points after roughly 50 conversations had been presented. The FOM on the evaluation data increased by 5.2 percentage points to 69.7% after three passes through the training data, but then decreased with further training. This result suggests that the extra structure learned during the final three training passes is overfitting the training data and providing poor performance on the evaluation set. Figure 7 shows the spectrograms of high scoring true hits and false alarms for the word card generated by our wordspotter. All false alarms shown are actually the occurrences of the word car. The spectrograms of the true hits and the false alarms are very similar and the actual excised speech segments are difficult even for humans to distinguish. 1025 1026 Chang and Lippmann A) True hits for card Figure 7. Spectrograms of high scoring true hit and false alarm for the word card. 6 SUMMARY Detection of target signals embedded in a noisy background is a common and difficult problem distinct from the task of classification. The evaluation metric of a spotting system, called Figure of Merit (FOM), is also different from the classification accuracy used to evaluate classification systems. FOM training uses a gradient which directly reflects a putative hit's impact on the FOM to modify the parameters of the spotting system. FOM training does not require careful adjustment of thresholds and target values and has been applied to improve a wordspotter's FOM from 64.5% to 69.7% on the credit card database. POM training can also be applied to other spotting tasks such as arrhythmia detection and address block location. ACKNOWLEDGEMENT This work was sponsored by the Advanced Research Projects Agency. The views expressed are those of the authors and do not reflect the official policy or position of the U.S. Government. Portions of this work used the HTK Toolkit developed by Dr. Steve Young of Cambridge University. BIBLIOGRAPHY R. Lippmann & E. Singer. (1993) Hybrid HMM/Neural-NetworkApproaches to Wordspotting. In ICASSP '93, volume I, pages 565-568. J. Rohlicek et. al. (1993) Phonetic and Language Modeling for Wordspotting. In ICASSP '93, volume II, pages 459-462. T. Zeppenfeld, R. Houghton & A. Waibel. (1993) Improving the MS-TDNN for Word Spotting. In ICASSP '93, volume II, pages 475-478.
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Directional Hearing by the Mauthner System .Audrey L. Gusik Department of Psychology University of Colorado Boulder, Co. 80309 Robert c. Eaton E. P. O. Biology University of Colorado Boulder, Co. 80309 Abstract We provide a computational description of the function of the Mauthner system. This is the brainstem circuit which initiates faststart escapes in teleost fish in response to sounds. Our simulations, using back propagation in a realistically constrained feedforward network, have generated hypotheses which are directly interpretable in terms of the activity of the auditory nerve fibers, the principle cells of the system and their associated inhibitory neurons. 1 1.1 INTRODUCTION THE M.AUTHNER SYSTEM Much is known about the brainstem system that controls fast-start escapes in teleost fish. The most prominent feature of this network is the pair of large Mauthner cells whose axons cross the midline and descend down the spinal cord to synapse on primary motoneurons. The Mauthner system also includes inhibitory neurons, the PHP cells, which have a unique and intense field effect inhibition at the spikeinitiating zone of the Mauthner cells (Faber and Korn, 1978). The Mauthner system is part of the full brainstem escape network which also includes two pairs of cells homologous to the Mauthner cell and other populations of reticulospinal neurons. With this network fish initiate escapes only from appropriate stimuli, turn away from the offending stimulus, and do so very rapidly with a latency around 15 msec in goldfish. The Mauthner cells play an important role in these functions. Only one 574 Directional Hearing by the Mauthner System fires thus controlling the direction of the initial turn, and it fires very quickly (4-5 msec). They also have high thresholds due to instrinsic membrane properties and the inhibitory inlluence of the PHP cells. (For reviews, see Eaton, et al, 1991 and Faber and Korn, 1978.) Acoustic stimuli are thought to be sufficient to trigger the response (Blader, 1981), both Mauthner cells and PHP cells receive innervation from primary auditory fibers (Faber and Korn, 1978). In addition, the Mauthner cells have been shown physiologically to be very sensitive to acoustic pressure (Canfield and Eaton, 1990). 1.2 LOCALIZING SOUNDS UNDERWATER In contrast to terrestrial vertebrates, there are several reasons for supposing that fish do not use time of arrival or intensity differences between the two ears to localize sounds: underwater sound travels over four times as fast as in air; the fish body provides no acoustic shadow; and fish use a single transducer to sense pressure which is conveyed equally to the two ears. Sound pressure is transduced into vibrations by the swim bladder which, in goldfish, is mechanically linked to the inner ear. Fish are sensitive to an additional component of the acoustic wave, the particle motion. Any particle ofthe medium taking part in the propagation of a longitudenal wave will oscillate about an equilibrium point along the axis of propagation. Fish have roughly the same density as water, and will experience these oscillations. The motion is detected by the bending of sensory hairs on auditory receptor cells by the otolith, an inertial mass suspended above the hair cells. This component of the sound will provide the axis of propagation, but there is a 180 degree ambiguity. Both pressure and particle motion are sensed by hair cells of the inner ear. In goldfish these signals may be nearly segregated. The linkage with the swim bladder impinges primarily on a boney chamber containing two of the endorgans of the inner ear: the saccule and the lagena. The utricle is a third endorgan also thought to mediate some acoustic function, without such direct input from the 3wimbladder. Using both of these components fish can localize sounds. According to the phase model (Schuijf, 1981) fish analyze the phase difference between the pressure component of the sound and the particle displacement component to calculate distance and direction. When pressure is increasing, particles will be pushed in the direction of sound propagation, and when pressure is decreasing particles will be pulled back. There will be a phase lag between pressure and particle motion which varies with frequency and distance from the sound source. This, and the separation of the pressure from the displacement signals in the ear of some species pose the greatest problems for theories of sound localization in fish. The acoustically triggered escape in goldfish is a uniquely tractable problem in underwater sound localization. First, there is the fairly good segregation of pressure from particle motion at the sensory level. Second I the escape is very rapid. The decision to turn left or right is equivalent to the firing of one or the other Mauthner cell, and this happens within about 4 msec. With transmission delay, this decision relies only on the initial 2 msec or so of the stimulus. For most salient frequencies, the phase lag will not introduce uncertainty: both the first and second derivatives of particle position and acoustic pressure will be either positive or negative. 575 576 Guzik and Eaton 1.3 THE XNOR MODEL A Active pressure input Active displacement input left Mauthner output Right Mauthner output p+ Ol On Ofr p+ DR Off On p- OL orr On p- DR On Off B Left sound source OR---a p+ - - - - - - - . . 1)---_ _..;:Jo.._ _ _ DL P+ --..,----p. 1 ) - - - - DR p- OL---a . . inhibitory 0- excitatory No response Figure 1 Truth table and minimal network for the XNOR model. Given the above simplification of the problem, we can see that each Mauthner cell must perform a logical operation (Guzik and Eaton, 1993j Eaton et al, 1994). The left Mauthner cell should fire when sounds are located on the left, and this occurs when either pressure is increasing and particle motion is from the left or when pressure is decreasing and particle motion is from the right. We can call displacement from the left positive for the left Mauthner cell, and immediately we Directional Hearing by the Mauthner System have the logical operator exclusive-nor (or XNOR). The right Mauthner cell must solve the same problem with a redefinition of right displacement as positive. The conditions for this logic gate are shown in figure 1A for both Mauthner cells. This analysis simplifies our task of understanding the computational role of individual elements in the system. For example, a minimal network could appear as in figure lB. In this model PHP units perform a logical sub-task of the XNOR as AND gates. This model requires at least two functional classes of PHP units on each side of the brain. These PHP units will be activated for the combinations of pressure and displacement that indicate a sound coming from the wrong direction for the Mauthner cell on that side. Both Mauthner cells are activated by sufficient changes in pressure in either direction, high or low, and will be gated by the PHP cells. This minimal model emerged from explorations of the system using the connectionist paradigm, and inspired us to extend our efforts to a more realistic context. 2 THE NETWORK We used a connectionist model to explore candidate solutions to the left/right discrimination problem that include the populations of neurons known to exist and include a distributed input resembling the sort available from the hair cells of the inner ear. We were interested in generating a number of alternative solutions to be better prepared to interpret physiological recordings from live goldfish, and to look for variations of, or alternatives to, the XNOR model. 2.1 THE .ARCHITECTURE As shown in figure 2, there are four layers in the connectionist model. The input layer consists of four pools of hair cell units. These represent the sensory neurons of the inner ear. There are two pools on each side: the saccule and the utricle. Treating only the horizontal plane, we have ignored the lagena in this model. The saccule is the organ of pressure sensation and the utricle is treated as the organ of particle motion. Each pool contains 16 hair cell units maximally responsive for displacements of their sensory hairs in one particular direction. They are activated as the eosine of the difference between their preferred direction and the stimulus dellection. All other units use sigmoidal activation functions. The next layer consists of units representing the auditory fibers of the VIIIth nerve. Each pool receives inputs from only one pool of hair cell units, as nerve fibers have not been seen to innervate more than one endorgan. There are 10 units per fiber pool. The fiber units provide input to both the inhibitory PHP units, and to the Mauthner units. There are four pools of PHP units, two on each side of the fish. One set on each side represents the collateral PHP eells, and the other set represents the commissural PHP cells (Faber and Korn, 1978). Both types receive inputs from the auditory fibers. The collaterals project only to the Mauthner cell on the same side. The commissurals project to both Mauthner cells. There are five units per PHP pool. 577 578 Guzik and Eaton The Mauthner cell units receive inputs from saecular and utricular fibers on their same side only, as well as inputs from a single collateral PHP population and both commissural PHP populations. Left Saccule Left Utricle Right Utricle Right Saccule Hair Cells Auditory Nerve Fiber Pools PHPs Left Mauthner Right Mautlll1er Figure 2 The architecture. Weights from the PHP units are all constrained to be negative, while all others are constrained to be positive. The weights are implemented using the function below, positive or negative depending on the polarity of the weight. f(w) = 1/2 (w + In cosh(w) + In 2) The function asymptotes to zero for negative values, and to the identity function for values above 2. This function vastly improved learning compared with the simpler, but highly nonlinear exponential function used in earlier versions of the model. 2.2 TRAINING We used a total of 240 training examples. We began with a set of 24 directions for particle motion, evenly distributed around 360 degrees. These each appeared twice, once with increasing pressure and once with decreasing pressure, making a base set of 48 examples. Pressure was introduced as a deflection across saccular hair cells of either 0 degrees for low pressure, or 180 degrees for high pressure. These should be thought of as reflecting the expansion or compression of the swim bladder. Targets for the Mauthner cells were either 0 or 1 depending upon the conditions as described in the XNOR model, in figure lA. Directional Hearing by the Mauthner System Next by randomly perturbing the activations of the hair cells for these 48 patterns, we generated 144 noisy examples. These were randomly increased or decreased up to 10%. An additional 48 examples were generated by dividing the hair cell adivity by two to represent sub-threshold stimuli. These last 48 targets were set to zero. The network was trained in batch mode with backpropagation to minimize a crossentropy error measure, using conjugate gradient search. Unassisted backpropagation was unsuccessful at finding solutions. For the eight solutions discussed here, two parameters were varied at the inputs. In some solutions the utride was stimulated with a vedor sum of the displacement and the pressure components, or a "mixed" input. In some solutions the hair cells in the utride are not distributed uniformly, but in a gaussian manner with the mean tuning of 45 degrees to the right or left, in the two ears respedively. This approximates the actual distribution of hair cells in the goldfish utride (Platt, 1977). 3 RESULTS Analyzing the activation of the hidden units as a fundion of input pattern we found activity consistent with known physiology, nothing inconsistent with our knowledge of the system, and some predidions to be evaluated during intracellular recordings from PHP cells and auditory afFerents. First, many PHP cells were found exhibiting a logical fUndion, which is consistent with our minimal model described above. These tended to projed only to one Mauthner cell unit, which suggests that primarily the collateral PHP cells will demonstrate logical properties. Most logical PHP units were NAND gates with very large weights to one Mauthner cell. An example is a unit which is on for all stimuli except those having displacements anywhere on the left when pressure is high. Second, saccular fibers tended to be either sensitive to high or low pressure, consistent with recordings of Furukawa and Ishii (1967). In addition there were a dass which looked like threshold fibers, highly active for all supra-threshold stimuli, and inactive for all sub-threshold stimuli. There were some fibers with no obvious seledivity, as well. Third, utricular fibers often demonstrate sensitivity for displacements exclusively from one side ofthe fish, consistent with our minimal model. Right and left utricular fibers have not yet been demonstrated in the real system. Utricular fibers also demonstrated more coarsely tuned, less interpretable receptive fields. All solutions that included a mixed input to the utrieie, for example, produced fibers that seemed to be "not 180 degree" ,or "not 0 degree", countering the pressure vedors. We interpret these fibers as doing dean-up given the absence of negative weights at that layer. Fourth, sub-threshold behavior of units is not always consistent with their suprathreshold behavior. At sub-threshold levels of stimulation the adivity of units may not refted their computational role in the behavior. Thus, intracellular recordings should explore stimulus ranges known to elicit the behavior. 579 580 Guzik and Eaton Fifth, Mauthner units usually receive very strong inputs from pressure fibers. This is consistent with physiological recordings which suggest that the Mauthner cells in goldfish are more sensitive to sound pressure than displacement (Canfield and Eaton, 1990). Sixth, Mauthner cells always acquired rdatively equal high negative biases. This is consistent with the known low input resistance of the real Mauthner eells, giving them a high threshold (Faber and Korn, 1978). Seventh, PHP cells that maintain substantial bilateral connections tend to be tonically active. These contribute additional negative bias to the Mauthner cells. The relative sizes of the connections are often assymetric. This suggests that the commissural PHP cells serve primarily to regulate Mauthner threshold, ensure behavioral response only to intense stimuli, consistent with Faber and Korn (1978). These cells could only contribute to a partial solution of the XNOR problem. Eighth, all solutions consistently used logic gate PHP units for only 50% to 75% of the training examples. Probably distributed solutions relying on the direct connections of auditory nerve fibers to Mauthner cells were more easily learned, and logic gate units only developed to handle the unsolved eases. Cases solved without logic gate units were solved by assymetric projections to the Mauthner cells of one polarity of pressure and one class of direction fibers, left or right. Curiously, most of these eases involved a preferential projection from high pressure fibers to the Mauthner units, along with directional fibers encoding displacements from each Mauthner unit's positive direction. This means the logic gate units tended to handle the low pressure eases. This may be a result of the presence of the assymetric distributions of utricular hair cells in 6 out of the 8 solutions. 4 CONCLUSIONS \Ve have generated predictions for the behavior of neurons in the Mauthner system under different conditions of acoustic stimulation. The predictions generated with our connectionist model are consistent with our interpretation of the phase model for underwater sound localization in fishes as a logical operator. The results are also consistent with previously described properties of the Mauthner system. Though perhaps based on the characteristics more of the training procedure, our solutions suggest that we may find a mixed solution in the fish. Direct projections to the Mauthner cells from the auditory nerve perhaps handle many of the commonly encountered acoustic threats. The results of Blaxter (1981) support the idea that fish do escape from stimuli regardless of the polarity of the initial pressure change. Without significant nonlinear processing at the Mauthner cell itsdf, or more complex processing in the auditory fibers, direct connections could not handle all of these eases. These possibilities deserve exploration. We propose different computational roles for the two classes of inhibitory PHP neurons. We expect only unilaterally-projecting PHP cells to demonstrate some logical function of pressure and particle motion. We believe that some elements of the Mauthner system must be found to demonstrate such minimal logical functions if the phase modd is an explanation for left-right discrimination by the Mauthner system. Directional Hearing by the Mauthner System We are currently preparing to deliver controlled acoustic stimuli to goldfish during acute intracellular recording procedures from the PHP neurons, the afferent fibers and the Mauthner cells. Our insights from this model will greatly assist us in designing the stimulus regimen, and in interpreting our experimental results. Plans for future computational work are of a dynamic model that will include the results of these physiological investigations, as well as a more realistic version of the Mauthner cell . .Acknowledgements We are grateful for the technical assistance of members of the Boulder Connectionist Research Group, especially Don Mathis for help in debugging and optimizing the original code. We thank P.L. Edds-Walton for crucial discussions. This work was supported by a grant to RCE from the National Institutes of Health (ROI NS22621). References Blader, J.H.S., J.A.B. Gray, and E.J. Denton (1981) Sound and startle responses in herring shoals. J. Mar. BioI. Assoc. UK, 61: 851-869 Canfield, J.G. and R.C. Eaton (1990) Swimbladder acoustic pressure transduction intiates Mauthner-mediated escape. Nature, 3~7: 760-762 Eaton, R.C., J.G. Canfield and A.L. Guzik (1994) Left-right discrimination of sound onset by the Mauthner system. Brain Behav. Evol., in pre66 Eaton, R.C., R. DiDomenico and J. Nissanov (1991) Role of the Mauthner cell in sensorimotor integration by the brain stem escape network. Brain Behav. Evol., 37: 272-285 Faber, D.S. and H. Korn (1978) Electrophysiology of the Mauthner cell: Basic properties, synaptic mechanisms and associated networks. In Neurobiology of the Mauthner Cell, D.S. Faber and H. Korn (eds) , Raven Press, NY, pp. 47-131 Fay, R.R.(1984) The goldfish ear codes the axis of acoustic particle motion in three dimensions. Science, 225: 951-954 Furukawa, T. and Y. Ishii (1967) Effects of static bending of sensory hairs on sound reception in the goldfish. Japanese J. Physiol., 17: 572-588 Guzik, A.L. and R.C. Eaton (1993) The XNOR model for directional hearing by the Mauthner system. Soc. Neurosci. Abstr. PIaU, C. (1977) Hair cell distribution and orientation in goldfish otolith organs. J. Compo Neurol., 172: 283-298 Schuijf, A. (1981) Models of acoustic localization. In Hearing and Sound Communication in Fishes, W.N. Tavolga, A.N . Popper and R.R. Fay (eds.), Springer, New York,. pp. 267-310 581
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Recognition-based Segmentation of On-line Cursive Handwriting Nicholas S. Flann Department of Computer Science Utah State University Logan, UT 84322-4205 flannGnick.cs.usu.edu Abstract This paper introduces a new recognition-based segmentation approach to recognizing on-line cursive handwriting from a database of 10,000 English words. The original input stream of z, y pen coordinates is encoded as a sequence of uniform stroke descriptions that are processed by six feed-forward neural-networks, each designed to recognize letters of different sizes. Words are then recognized by performing best-first search over the space of all possible segmentations. Results demonstrate that the method is effective at both writer dependent recognition (1.7% to 15.5% error rate) and writer independent recognition (5.2% to 31.1% error rate). 1 Introduction With the advent of pen-based computers, the problem of automatically recognizing handwriting from the motions of a pen has gained much significance. Progress has been made in reading disjoint block letters [Weissman et. ai, 93]. However, cursive writing is much quicker and natural for humans, but poses a significant challenge to pattern recognition systems because of its variability, ambiguity and need to both segment and recognize the individual letters. Recent techniques employing selforganizing networks are described in [Morasso et. ai, 93] and [Schomaker, 1993]. This paper presents an alternative approach based on feed-forward networks. On-line handwriting consists of writing with a pen on a touch-terminal or digitizing 777 778 Flann (a) (b) (c) (d) (e) Figure 1: The five principal stages of preprocessing: (a) The original data, z, Y values sampled every 10mS. (b) The slant is normalized through a shear transformation; (c) Stroke boundaries are determined at points where y velocity equals 0 or pen-up or pen-down events occur; (d) Delayed strokes are reordered and associated with corresponding strokes of the same letters; (e) Each stroke is resampled in space to correspond to exactly 8 points. Note pen-down strokes are shown as thick lines, pen-up strokes as thin lines. Recognition-Based Segmentation of On-Line Cursive Handwriting tablet. The device produces a regular stream of z, y coordinates, describing the positions of the pen while writing. Hence the problem of recognizing on-line cursively written words is one of mapping a variable length sequence of z, y coordinates to a variable length sequence of letters. Developing a system that can accurately perform this mapping faces two principal problems: First, because handwriting is done with little regularity in speed, there is unavoidable variability in input size. Second, because no pen-up events or spatial gaps signal the end of one letter and the beginning of the next, the system must perform both segmentation and recognition. This second problem necessitates the development of a recognition-based segmentation approach. In [Schenkel et al., 93] one such approach is described for connected block letter recognition where the system learns to recognize segmentation points. In this paper an alternative method is presented that first performs exhaustive recognition then searches the space of possible segmentations. The remainder of the paper describes the method in more detail and presents results that demonstrate its effectiveness at recognizing a variety of cursive handwriting styles. 2 Methodology The recognition system consists of three subsystems: (a) the preprocessor that maps the initial stream of z, y coordinates to a stream of stroke descriptions; (b) the letter classifier that learns to recognize individual letters of different size; and (c) the word finder that performs recognition-based segmentation over the output of the letter classifier to identify the most likely word written. 2.1 Preprocessing The preprocessing stage follows steps outlined in [Guerfali & Plamondon, 93] and is illustrated in Figure 1. First the original data is smoothed by passing it through a low-pass filter, then reslanted to make the major stroke directions vertical. This is achieved by computing the mean angle of all the individual lines then applying a shear transformation to remove it. Second, the strokes boundaries are identified as points when if = 0 or when the pen is picked up or put down. Zero y velocity was chosen rather than minimum absolute velocity [Morasso et. ai, 93] since it was found to be more robust. Third, delayed strokes such as those that dot an i or cross a t are reordered to be associated with their corresponding letter. Here the delayed stroke is placed to immediately follow the closest down stroke and linked into the stroke sequence by straight line pen-up strokes. Fourth, each stroke is resampled in the space domain (using linear interpolation) so as to represent it as exactly eight z, y coordinates. Finally the new stream of z, y coordinates is converted to a stream of 14 feature values. Eight of these features are similar to those used in [Weissman et. ai, 93], and represent the angular acceleration (as the sin and cos of the angle), the angular velocity of the line (as the sin and cos of the angle), the z, y coordinates (z has a linear ramp removed), and first differential ox,Oy. One feature denotes whether the pen was down or up when the line was drawn. The remaining features encode more abstract information about the stroke. 779 780 Flann ? 32 Figure 2: The pyramid-style architecture of the network used to recognize 2 stroke letters. The input size is 32 x 14; 32 is from the 4 input strokes (each represented by 8 resampled points), two central strokes from the letter and the 2 context strokes, one each side; 14 is from the number of features employed to represent each point. Not all the receptive fields are shown. The first hidden layer consists of 7 fields, 4 over each stroke and 3 more spanning the stroke boundaries. The next hidden layer consists of 5 fields, each spanning 3 x 20 inputs. The output is a 32 bit error-correcting code. J.) ~"I v~c.'fJcr/ "~lI"")c' (/" .p/ ~'l q\) /.h.l/ .....')"/\1\.1 Jt?z./I' l'-V..c..A.U,I A {jAAVv ....... t A ~...J)'l~.n",l1v..-t..>...,--ZUv ..... U.,.,,,( .lI\ ..,. ..n...d t...rt '( f,l.-v tV 'i> r' 1/"J1. tt I'-' V (,fJ 1\./11 \....-"\ ~ r.r S)y' U Iv' hV (..; .-Y.w .M/l.JYV.JJ. ~ At.. ~ fA. "'"'I.t.N. ~ .I..L.r.,.. U. f" I' ry \{\J?'\J)1 LA ~ r"Yi.IW11. . . \..0.m ~ W ~.-;,(...vy..p/v~\.6\~ J..v bY)U> _~.bA ~ u...Yv:.)~ rn ~ ~d~ AlAt )AA. \.Oe!;\IVY' M1~~ /\.$\ t.W f1- ~~, Figure 3: Examples of the class "other" for stroke sizes 1 though 6. Each letter is a random fragment of a word, such that it is not an alphabetic letter. Recognition-Based Segmentation of On-Line Cursive Handwriting 2.2 Letter Recognition The letter classifier consists of six separate pyramid-style neural-networks, each with an architecture suitable for recognizing a letter of one through six strokes. A neural network designed to recognize letters of size j strokes encodes a mapping from a sequence of j + 2 stroke descriptions to a 32 bit error-correcting code [Dietterich & Bakiri, 91]. Experiments have shown this use of a context window improves performance, since the allograph of the current letter is dependent on the allographs of the previous and following letters. The network architecture for stroke size two is illustrated in Figure 2. The architecture is similar to a time-delayed neural-network [Lang & Waibel, 90] in that the hierarchical structure enables different levels of abstract features to be learned. However, the individual receptive fields are not shared as in a TDNN, since translational variance is not problem and the sequence of data is important. The networks are trained using 80% of the raw data collected. This set is further divided into a training and a verification set. All training and verification data is preprocessed and hand segmented, via a graphical interface, into letter samples. These are then sorted according to size and assembled into distinct training and verification sets. It is often the case that the same letter will appear in multiple size files due to variability in writing and different contexts (such as when an 0 is followed by a 9 it is at least a 3 stroke allograph, while an 0 followed by an 1 is usually only a two stroke allograph). Included in these letter samples are samples of a new letter class "other," illustrated in Figure 3. Experiments demonstrated that use of an "other" class tightens decision boundaries and thus prevents spurious fragments-of which there are many during performance-from being recognized as real letters. Each network is trained using back-propagation until correctness on the verification set is maximized, usually requiring less than 100 epochs. 2.3 Word Interpreter To identify the correct word, the word interpreter explores the space of all possible segmentations of the input stroke sequence. First, the input sequence is partitioned into all possible fragments of size one through six, then the appropriately sized network is used to classify each fragment. An example of this process is illustrated as a matrix in Figure 4(a). The word interpreter then performs a search of this matrix to identify candidate words. Figure 4(b) and Figure 4(c) illustrates two sets of candidate words found for the example in Figure 4(a). Candidates in this search process are generated according to the following constraints: ? A legal segmentation point of the input stream is one where no two adjacent fragments overlap or leave a gap. To impose this constraint the i'th fragment of size j may be extended by all of the i + j fragments, if they exist. ? A legal candidate letter sequence must be a subsequence of a word in the provided lexicon of expected English words. 781 782 Flann DktioJliU)' Siu-107.a!:l UiL-tiollary Siz .. - (J 1?AAE 1)ARE 2)ARE 2)ARf 3)ARf &)QAf S)ORf Figure 4: (a) The matrix of fragments and their classifications that is generated by applying the letter recognizers to a sample of the word are. The original handwriting sample, following preprocessing, is given at the top of the matrix. The bottom row of the matrix corresponds to all fragments of size one (with zero overlap), the second row to all fragments of size two (with an overlap of one stroke) etc. The column of letters in each fragment box represents the letter classifications generated by the neural network of appropriate size. The higher the letter in the column, the more confident the classification. Those fragments with no high scoring letter were recognized as examples of the class "other." (b) The first five candidates found by the word recognizer employing no lexicon. The first column is the word recognized, the second column is the score for that word, the third is the sequence of fragments and their classifications. (c) The first five candidates found by the word recognizer employing a lexicon of 10748 words. Recognition-Based Segmentation of On-Line Cursive Handwriting In a forward search, a candidate of size n consists of: (a) a legal sequence of fragments It, 12, .. . , In that form a prefix of the input stroke sequence, (b) a sequence of letters It, 12 , ? ?? , In that form a prefix of an English word from the given dictionary and (c) a score s for this candidate, defined as the average letter recognition error: E?-l 6(1., Ii) 8 ==---:.,;...;.,,;.~ = n where 6(/i, Ii) is the hamming distance between letter Is's code and the actual code produced by the neural network when given Ii as input. This scoring function is the same as employed in [Edelman et. ai, 90]. The best word candidate is one that conforms with the constraints and has the lowest score. Although this is a reasonable scoring function, it is easy to show that it is not admissible when used as an evaluation function in forward search. With a forward search, problems arise when the prefix of the correct word is poorly recognized. To help combat this problem without greatly increasing the size of the search space, both forward and backward search is performed. Search is initiated by first generating all one letter and one fragment prefix and suffix candidates. Then at each step in the search, the candidate with the lowest score is expanded by considering the cross product of all legal letter extensions (according to the lexicon) with all legal fragment extensions (according to the fragment-sequence constraints) . The list of candidates is maintained as a heap for efficiency. The search process terminates when the best candidate satisfies: (1) the letter sequence is a complete word in the lexicon and (2) the fragment sequence uses all the available input strokes. The result of this bi-directional search process is illustrated in Figure 4(a)(b), where the five best candidates found are given for no lexicon and a large lexicon. The use of a 10,748 word lexicon eliminates meaningless fragment sequences, such as cvre, which is a reasonable segmentation, but not in the lexicon. The first two candidates are the same fragment sequence, found by the two search directions. The third candidate with a 10,748 word dictionary illustrates an alternative segmentation of the correct word. This candidate was identified by a backward search, but not a forward search, due to the poor recognition of the first fragment. 3 Evaluation To evaluate the system, 10 writers have provided samples of approximately 100 words picked by a random process, biased to better represent uncommon letters. Two kinds of experiments were performed. First, to test the ability of the system to learn a variety of writing styles, the system was tested and trained on distinct sets of samples from the same writer. This experiment was repeated 10 times, once for each writer. The error rate varied between 1.7% and 15.5%, with a mean of 6.2%, when employing a database of 10,748 English words. The second experiments tested the ability of the system to recognize handwriting of a writer not represented in the training set. Here the set of 10 samples were split into two sets, the training set of 9 writers with the remaining 1 writer being the test set. The error rate was understandably higher, varying between 5.2% and 31.1%, with a mean of 10.8%, when employing a database of 10,748 English words. 783 784 Flann 4 Summary This paper has presented a recognition-based segmentation approach for on-line cursive handwriting. The method is very flexible because segmentation is performed following exhaustive recognition. Hence, we expect the method to be successful with more natural unconstrained writing, which can include mixed block, cursive and disjoint letters, diverse orderings of delayed strokes, overwrites and erasures. Acknowledgements This work was supported by a Utah State University Faculty Grant. Thanks to Balaji Allamapatti, Rebecca Rude and Prashanth G Bilagi for code development. References [Dietterich & Bakiri, 91] Dietterich, T., G. & Bakiri, G. (1991). Error correcting output codes: A general method for improving multiclass inductive learning programs, in Proceedings of the Ninth National Conference on Artificial Intelligence, Vol 2, pp 572-577. [Edelman et. al,90] Edelman S., Tamar F., and Ullman S. (1990). Reading cursive handwriting by alignment of letter prototypes. International Journal of Computer Vision, 5:3, 303-331. [Guerfali & Plamondon, 93] Guerfali W. & Plamondon R. (1993). Normalizing and restoring on-line handwriting. Pattern Recognition, Vol. 26, No.3, pp. 419431. [Guyon et. ai, 90] Guyon I., Albrecht P., Le Cun Y., Denker J. & Hubbard W. (1991). Design of a neural network character recognizer for a touch terminal. Pattern Recognition, Vol. 24, No.2. pp. 105-119. [Lang & Waibel, 90] Lang K., J. & Waibel A., H. (1990). A time-delayed neural network architecture for isolated word recognition, Neural Networks, Vol 3, pp 33-43. [Morasso et. ai, 93] Morasso P., Barberis, S. Pagliano S. & Vergano, D. (1993). Recognition experiments of cursive dynamic handwriting with selforganizing networks. Pattern Recognition, Vol. 26, No.3, pp. 451-460. [Schenkel et al., 93] Schenkel M., Weissman H., Guyon I., Nohl C., & Henderson D. (1993). Recognition-based segmentation of on-line hand-printed words. In S. J. Hanson, J. D. Cowan & C. L. Giles (Eds), Advances in Neural Information Processing Systems, 5,723-730. San Mateo, CA: Morgan Kaufmann. [Schomaker, 1993] Schomaker L. (1993). Using stroke or character based selforganizing maps in the recognition of on-line connected cursive script. Pattern Recognition, Vol. 26. No.3., pp. 442-450. [Srihari & Bozinovic, 87] Srihari S. N. & Bozinovic R. M. (1987). A multi-level perception approach to reading cursive script. Artificial Intelligence, 33 217-255. [Weissman et. ai, 93] Weissman H., Schenkel M., Guyon I., Nohl C. & Henderson D. (1993). Recognition-based segmentation of on-line run-on hand printed words: input vs. output segmentation. Pattern Recognition.
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Analysis of Short Term Memories for Neural Networks Jose C. Principe, Hui-H. Hsu and Jyh-Ming Kuo Computational NeuroEngineering Laboratory Department of Electrical Engineering University of Florida, CSE 447 Gainesville, FL 32611 [email protected] Abstract Short term memory is indispensable for the processing of time varying information with artificial neural networks. In this paper a model for linear memories is presented, and ways to include memories in connectionist topologies are discussed. A comparison is drawn among different memory types, with indication of what is the salient characteristic of each memory model. 1 INTRODUCTION An adaptive system that has to interact with the external world is faced with the problem of coping with the time varying nature of real world signals. Time varying signals, natural or man made, carry information in their time structure. The problem is then one of devising methods and topologies (in the case of interest here, neural topologies) that explore information along time.This problem can be appropriately called temporal pattern recognition, as opposed to the more traditional case of static pattern recognition. In static pattern recognition an input is represented by a point in a space with dimensionality given by the number of signal features, while in temporal pattern recognition the inputs are sequence of features. These sequence of features can also be thought as a point but in a vector space of increasing dimensionality. Fortunately the recent history of the input signal is the one that bears more information to the decision making, so the effective dimensionality is finite but very large and unspecified a priori. How to find the appropriate window of input data 1011 1012 Principe, Hsu, and Kuo (memory depth) for a given application is a difficult problem. Likewise, how to combine the information in this time window to better meet the processing goal is also nontrivial. Since we are interested in adaptive systems, the goal is to let the system find these quantities adaptively using the output error information. These abstract ideas can be framed more quantitatively in a geometric setting (vector space). Assume that the input is a vector [u(l), ... u(n), .... ] of growing size. The adaptive processor (a neural network in our case) has a fixed size to represent this information, which we assign to its state vector [x1(n), .... xN(n)] of size N. The usefulness of xk(n) depends on how well it spans the growing input space (defined by the vector u(n?, and how well it spans the decision space which is normally associated with the minimization of the mean square error (Figure 1). Therefore, in principle, the procedure can be divided into a representational and a mapping problem. The most general solution to this problem is to consider a nonlinear projection manifold which can be modified to meet both requirements. In terms of neural topologies, this translates to a full recurrent system, where the weights are adapted such that the error criterion is minimized. Experience has shown that this is a rather difficult proposition. Instead, neural network researchers have worked with a wealth of methods that in some way constrain the neural topology. Projection space Nonlinear mapping error ~ Optimal Decision space Figure 1. Projection ofu(n) and the error for the task. (for simplicity we are representing only linear manifolds) The solution that we have been studying is also constrained. We consider a linear manifold as the projection space, which we call the memory space. The projection of u(n) in this space is subsequently mapped by means of a feedforward neural network (multilayer perceptron) to a vector in decision space that minimizes the error criterion. This model gives rise to the focused topologies. The advantage of this constrained model is that it allows an analytical study of the memory structures, since they become linear filters. It is important to stress that the choice of the projection space is crucial for the ultimate performance of the system, because if the projected version of u(n) in the memory space discards valuable information about u(n), then Analysis of Short Term Memories for Neural Networks the nonlinear mapping will always produce sub-optimal results. 2 Projection in the memory space If the projection space is linear, then the representational problem can be studied with linear system concepts. The projected vector u(n) becomes Yn N Yn = L w0n-k (1) k=l where xn are the memory traces. Notice that in this equation the coefficients wk are independent of time, and their number fixed to N. What is the most general linear structure that implements this projection operation? It is the generalizedfeedfonvard structure [Principe et aI, 1992] (Figure 2), which in connectionist circles has been called the time lagged recursive network [Back and Tsoi, 1992]. One can show that the defining relation for generalized feedforward structures is gk (n) = g (n) ? gk-l (n) k';? 1 where ? represents the convolution operation, and go (n) = (5 (n) . This relation means that the next state vector is constructed from the previous state vector by convolution with the same function g(n), yet unspecified. Different choices of g(n) will provide different choices for the projection space axes. When we apply the input u(n) to this structure, the axes of the projection space become xk(n), the convolution of u(n) with the tap signals. The projection is obtained by linearly weighting the tap signals according to equation (1). Figure 2. The generalizedfeedfonvard structure We define a memory structure as a linear system whose generating kernel g(n) is causal g (n) = 0 fo r n < 0 and normalized, i.e. 00 L Ig(n)1 = 1 n=O We define memory depth D as the modified center of mass (first moment in time) of the last memory tap. 00 D = L ngk(n) n=O And we define the memory resolution R as the number of taps by unit time, which 1013 1014 Principe, Hsu, and Kuo becomes liD. The purpose of the memory structure is to transform the search for an unconstrained number of coefficients (as necessary if we worked directly with u(n? into one of seeking a fixed number of coefficients in a space with time varying axis. 3 Review of connectionist memory structures The gamma memory [deVries and Principe, 1992] contains as special cases the context unit [Jordan, 1986] and the tap delay line as used in TDNN [Waibel et aI, 1989]. However, the gamma memory is also a special case of the generalized feedforward filters where g (n) = Jl (1 - Jl) n which leads to the gamma functions as the tap signals. Figure 3, adapted from [deVries and Principe, 1993], shows the most common connectionist memory structures and its characteristics. As can be seen when k=l, the gamma memory defaults to the context unit, and when Jl=1 the gamma memory becomes the tap delay line. In vector spaces the context unit represents a line, and by changing 11 we are finding the best projection of u(n) on this line. This representation is appropriate when one wants long memories but low resolution. Likewise, in the tap delay line, we are projecting u(n) in a memory space that is uniquely determined by the input signal, i.e. once the input signal u(n) is set, the axes become u(n-k) and the only degree of freedom is the memory order K. This memory structure has the highest resolution but lacks versatility, since one can only improve the input signal representation by increasing the order of the memory. In this respect, the simple context unit is better (or any memory with a recursive parameter), since the neural system can adapt the parameter 11 to project the input signal for better performance. We recently proved that the gamma memory structure in continuous time represents a memory space that is rigid [Principe et aI, 1994] . When minimizing the output mean square error, the distance between the input signal and the projection space decreases. The recursive parameter in the feedforward structures changes the span of the memory space with respect to the input signal u(n) (which can be visualized as some type of complex rotation). In terms of time domain analysis, the recursive parameter is finding the length of the time window (the memory depth) containing the relevant information to decrease the output mean square error. The recursive parameter Jl can be adapted by gradient descent learning [deVries and Principe, 1992], but the adaptation becomes nonlinear and multiple minima exists.Notice that the memory structure is stable for O<Jl<2. The gamma memory when utilized as a linear adaptive filter extends Widrow's ADALINE [de Vries et aI, 1992], and results in a more parsimonious filter for echo cancellation [Palkar and Principe, 1994]. Preliminary results with the gamma memory in speech also showed that the performance of word spotters improve when 11 is different from one (i.e. when it is not the tap delay line). In a signal such as speech where time warping is a problem, there is no need to use the full resolution provided by the tap delay line. It is more important to trade depth by resolution. Analysis of Short Term Memories for Neural Networks 4 Other Memory Structures There are other memory structures that fit our definition. Back and Tsoi proposed a lattice structure that fits our definition of generalized feedforward structure. Essentially this system orthogonalizes the input, uncorrelating the axis of the vector space (or the signals at the taps of the memory). This method is known to provide the best speed of adaptation because gradient descent becomes Newton's method (after the lattice parameters converge). The problem is that it becomes more computational demanding (more parameters to adapt, and more calculations to perform). Tape delay line u(tJ -0 Delay operator: Z-l Memory resolution: 1. memory depth: K Context Unit $ z nnmnin yet) 1--1--+--. Delay operator: Memory depth: 1/J,l 1- Memory resolution: J,l z-(1-J,l) Gamma memory G(z) Delay operator: z- (1- J,l) Memory depth: klJ,l Memory resolution: J,l Figure 3. Connectionist memory structures Laguerre memories A set of basis intimately related to the gamma functions is the Laguerre bases. The 1015 1016 Principe, Hsu, and Kuo Laguerre bases is an orthogonal span of the gamma space [Silva, 1994], which means that the information provided by both memories is the same. The advantage of the Laguerre is that the signals at the taps (the basis) are less correlated and so the adaptation speed becomes faster for values of Jl close to 0 or 2 [Silva, 1994] (the condition number of the matrix created by the tap signals is bounded). Notice that the Laguerre memory is still very easy to compute (a lowpass filter followed by a cascade of first order all pass filters). aguerre memory z domain Delay operator: Z- z- (1 - Jl) z- (1 - Jl) -1 (1- Jl) Gamma II memories. The Gamma memory has a multiple pole that can be adaptively moved along the real Z domain axis, i.e. the Gamma memory can only implement lowpass (0< Jl <1) or highpass (1 <Jl <2) transfer functions. We experimentally observed that in nonlinear prediction of chaotic time series the recursive parameter sometimes adapts to values less than one. The highpass creates an extra ability to match the prediction by alternating the signs of the samples in the gamma memory (the impulse response for 1< Jl <2 is alternating in sign). But with a single real parameter the adaptation is unable to move the poles to complex values. Two conditions come to mind that require a memory structure with complex poles. First, the information relevant for the signal processing task appears in periodic bursts, and second, the input signal is corrupted by periodic noise. A memory structure with adaptive complex poles can successfully cope with these two conditions by selecting in time the intervals where the information is concentrated (or the windows that do not provide any information for the task). Figure 3 shows one possible implementation for the Gamma II kernel. Notice that for stability, the parameter u must obey the condition Jl (1 +~) < 2 and o <Jl <2. Complex poles are obtained for u> O. These parameters can be adapted by gradient descent [Silva et aI, 1992]. In terms of versatility, the Gamma II has a pair of free complex poles, the Gamma I has a pole restricted to the real line in the Z domain, and the tap delay line has the pole set at the origin of the Z domain (z=O). A multilayer perceptron equipped with an input memory layer with the Gamma II memory structure implements a nonlinear mapping on an ARMA model of the input signal. 5 How to use Memory structures in Connectionist networks. Although we have presented this theory with the focused architectures (which Analysis of Short Term Memories for Neural Networks corresponds to a nonlinear moving average model (NMAX?, the memory structures can be placed anywhere in the neural topology. Any nonlinear processing element can feed one of these memory kernels as an extension of [Wan, 1990]. If the memory structures are used to store traces of the output of the net, we obtain a nonlinear autoregressive model (NARX). If they are used both at the input and output, they represent a nonlinear ARMAX model shown very powerful for system identification tasks. When the memory layer is placed in the hidden layers, there is no corresponding linear model. Gamma II Delay operator: _Jl_[z_-_<l_-_Jl)_]_ [z - (l - Jl)] 2+ ~Jl2 One must realize that these types of memory structures are recursive (except the tap delay line), so their training will involve gradients that depend on time. In the focused topologies the network weights can still be trained with static backpropagation, but the recursive parameter must be trained with real time recurrent learning (RTRL) or backpropagation through time (BPTT). When memory structures are scattered through out the topology, training can be easily accomplished with backpropagation through time, provided a systematic way is utilized to decompose the global dynamics in local dynamics as suggested in [Lefebvre and Principe, 1993]. 6 Conclusions The goal of this paper is to present a set of memory structures and show their relationship. The newly introduced Gamma II is the most general of the memories reviewed. By adaptively changing the two parameters u,Jl the memory can create complex poles at any location in the unit circle. This is probably the most general memory mechanism that needs to be considered. With it one can model poles and zeros of the system that created the signal (if it accepts the linear model). In this paper we addressed the general problem of extracting patterns in time. We have been studying this problem by pre-wiring the additive neural model, and decomposing it in a linear part -the memory space- that is dedicated to the storage of past values of the input (output or internal states), and in a nonlinear part which is static. The memory space accepts local recursion, which creates a powerful representational structure and where stability can be easily enforced (test in a single parameter). Recursive memories have the tremendous advantage of being able to trade memory depth by resolution. In vector spaces this means changing the relative 1017 1018 Principe, Hsu, and Kuo position between the projection space and the input signal. However, the problem of finding the best resolution is still open (this means adaptively finding k, the memory order). Likewise ways to adaptively find the optimal value of the memory depth need improvements since the gradient procedures used up to now may be trapped in local minima. It is still necessary to modify the definition of memory depth such that it applies to both of these new memory structures. The method is to define it as the center of mass of the envelope of the last kernel. Acknowledgments:This work was partially supported by NSF grant ECS #920878. 7 Iteferences Back, A. D. and A. C. Tsoi, An Adaptive Lattice Architecture for Dynamic Multilayer Perceptrons, Neural Computation, vol. 4, no. 6, pp. 922-931, November, 1992. de Vries, B. and J. C. Principe, "The gamma model - a new neural model for temporal processing," Neural Networks, vol. 5, no. 4, pp. 565-576, 1992. de Vries, B., J.C. Principe, and P.G. De Oliveira, "Adaline with adaptive recursive memory," Proc. IEEE Workshop Neural Networks on Signal Processing, Princeton, NJ, 1991. Jordan, M., "Attractor dynamics and parallelism in a connectionist sequential machine," Proc. 8th annual Conf. on Cognitive Science Society, pp. 531-546, 1986. Lefebvre, C., and J.C. Principe, "Object-oriented artificial neural network implementations", Proc. World Cong on Neural Nets, vol IV, pp436-439, 1993. Principe, J. deVries B., Oliveira P., "Generalized feedforward structures: a new class of adaptive fitlers", ICASSP92, vol IV, 244-248, San Francisco. Principe, J.C., and B. de Vries, "Short term neural memories for time varying signal classification," in Proc. 26th ASILOMAR Conf., pp. 766-770, 1992. Principe J. C., J.M. Kuo, and S. Celebi," An Analysis of Short Term Memory Structures in Dynamic Neural Networks", accepted in the special issue of recurrent networks of IEEE Trans. on Neural Networks. Palkar M., and J.e. Principe, "Echo cancellation with the gamma filter," to be presented at ICASSP, 1994. Silva, T.O., "On the equivalence between gamma and Laguerre filters," to be presented at ICASSP, 1994. Silva, T.O., J.C. Principe, and B. de Vries, "Generalized feedforward filters with complex poles," Proc. Second IEEE Conf. Neural Networks for Signal Processing, pp.503-510, 1992. Waiber, A., "Modular Construction of Time-Delay Neural Networks for Speech Recognition," Neural Computation I, pp39-46, 1989. Wan, A. E., "Temporal backpropagation: an efficient algorithm for finite impulse response neural networks," Connectionist Models, Proc. of the 1990 Summer School, pp.131-137, 1990.
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Robust Parameter Estimation And Model Selection For Neural Network Regression Yong Liu Department of Physics Institute for Brain and Neural Systems Box 1843, Brown University Providence, RI 02912 yong~cns.brown.edu Abstract In this paper, it is shown that the conventional back-propagation (BPP) algorithm for neural network regression is robust to leverages (data with :n corrupted), but not to outliers (data with y corrupted). A robust model is to model the error as a mixture of normal distribution. The influence function for this mixture model is calculated and the condition for the model to be robust to outliers is given. EM algorithm [5] is used to estimate the parameter. The usefulness of model selection criteria is also discussed. Illustrative simulations are performed. 1 Introduction In neural network research, the back-propagation (BPP) algorithm is the most popular algorithm. In the regression problem y = 7](:n, w) + ?, in which 7](:n, 8) denote a neural network with weight 8, the algorithm is equivalent to modeling the error as identically independently normally distributed (i.i.d.), and using the maximum likelihood method to estimate the parameter [13]. Howerer, the training data set may contain surprising data points either due to errors in y space (outliers) when the response vectors ys of these data points are far away from the underlying function surface, or due to errors in :n space (leverages), when the the feature vectors 192 Robust Parameter Estimation and Model Selection for Neural Network Regression xs of these data points are far away from the mass of the feature vectors of the rest of the data points. These abnormal data points may be able to cause the parameter estimation biased towards them. A robust algorithm or robust model is the one that overcome the influence of the abnormal data points. A lot of work has been done in linear robust regression [8, 6, 3]. In neural network. it is generally believed that the role of sigmoidal function of the basic computing unit in the neural net has some significance in the robustness of the neural net to outliers and leverages. In this article, we investigate this more thoroughly. It turns out the conventional normal model (BPP algorithm) is robust to leverages due to sigmoidal property of the neurons, but not to outliers (section 2). From the Bayesian point of view [2], modeling the error as a mixture of normal distributions with different variances, with flat prior distribution on the variances, is more robust. The influence function for this mixture model is calculated and condition for the model to be robust to outliers is given (section 3.1). An efficient algorithm for parameter estimation in this situation is the EM algorithm [5] (section 3.2). In section 3.3, we discuss a choice of prior and its properties. In order to choose among different probability models or different forms of priors, and neural nets with different architecture, we discuss the model selection criteria in section 4. Illustrative simulations on the choice of prior, or the t distribution model, and the normal distribution model are given. Model selection statistics, is used to choose the degree of freedom oft distribution, different neural network, and choose between a t model and a normal model (section 4 and 5). 2 Issue Of Robustness In Normal Model For Neural Net Regression One way to think of the outliers and leverages is to regard them as a data perturbation on the data distribution of the good data. Remember that a estimated parameter T = T(F) is an implicit function of the underlying data distribution F. To evaluate the influence of T by this distribution perturbation, we use the influence function [6] of estimator T at point z = (x, y) with data distribution F, which is defined as T((1 - t)F + t~z) - T(F) IF(T, z, F ) --1?Imt -+ 0+ ----.:'-'------'------'-----'----'(1 ) t in which ~:r: has mass 1 at This definition is equivalent to a definition of derivative with respect to F except what we are dealing now is the derivative of functional. This definition gives the amount of change in the estimator T with respect to a distribution perturbation t~z at point z = (x, y). For a robust estimation of the parameter, we expect the estimated parameter does not change significantly with respect to a data perturbation. In another word, the influence function is bounded for a robust estimation. x. 1 Denote the conditional probability model of y given x as i.i.d. f(ylx,8) with parameter 8. If the error function is the negative log-likelihood plus or not plus a penalty term, then a general property of the influence function of the estimated parameter B, is IF(B, (Xi, Yi), F) ex \71l1ogf(ydxi, B) (for proof, see [11]). Denote the neural lThe probability density of the distribution D.", is 6(y - 2:). 193 194 Liu net, with h hidden units and the dimension of the output being one (d y = 1), as h 17(:z:,8) = L akO"( Wk:Z: + tk) (2) k=l in which O"(:z:) is the sigmoidal function or 1/(1 + exp(:z:)) and 8 = {ak, Wk, td. For a normal model, f(yl:z:, 8, 0") = JV(Yj 17(:Z:, 8), 0") in which .N'(y; c, 0") denotes dy variate normal distribution with mean c and covariance matrix 0"2 I. Straightforward calculation yield (d y = 1) IF(8, (:Z:i' Yi), F) <X (O"(Wi:z:+ti))hXl ) ( (y - 17(X, 8)) (O,:O"',(w:x + t~)x ) aiO" (WiX + td hx 1 (3) Since y with a large value makes the influence function unbounded, thus the normal model or the back-propagation algorithm for regression is not robust to outliers. Since 0"' (wx +t) tends to be zero for x that is far away from the projection wx +i = 0, the influence function is bounded for a abnormal x, or the normal model for regression is robust to leverages. This analysis can be easily extented to a neural net with multiple hidden layers and multiple outputs. Since the neural net model is robust to leverages, we shall concentrate on the discussion of robustness with respect to outliers afterwards. 3 3.1 Robust Probability Model And Parameter Estimation Mixture Model One method for the robust estimation is by the Bayesian analysis [2J. Since our goal is to overcome the influence of outliers in the data set, we model the error as a mixture of normal distributions, or, f(yl:z:,8,0") = J f(ylx,8,q,0")7r(q)dq (4) with f(ylx, 8, q, 0") = N'(y; 17(x, 8), 0"2 /q) and the prior distribution on q is denoted as 7r(q). Intuitively, a mixture of different normal distributions with different qs, or different variances, somehow conveys the idea that a data point is generated from a normal distribution with large variance, which can be considered to be outliers, or from that with small variance, which can be considered to be good data. This requires 7r(q) to be flat to accommodate the abnormal data points. A case of extreme non-flat prior is to choose 7r(q) = 6(q - 1), which will make f(ylx, 8, 0") to be a normal distribution model. This model has been discussed in previous section and it is not robust to outliers. Calculation yields (d y = 1) the influence function as ~ IF(8, (x, y), F) ( <X (y - 17(x, 8)) w (O"(ti\X+ti))hXl ) ( a:a',( wix + t~)x ) ai a (Wi X + td hx 1 (5) Robust Parameter Estimation and Model Selection for Neural Network Regression in which (6) where expectation is taken with respect to the posterior distribution of q, or 7r(qly , x , 0- , 8) = f(ylx,9,q,u)'1r(q) For the influence function to be bounded for a y f(ylx,9,u) with large value, (y - 7](x, 8))w must be bounded. This is the condition on 7r(q) when the distribution f(ylx, 8, 0-) is robust to outliers. It can be noticed that the mixture model is robust to leverages for the same reason as in the case of the normal distribution model. 3.2 Algorithm For Parameter Estimation An efficient parameter estimation method for the model in equation 4 is the EM algorithm [5]. In EM algorithm, a portion ofthe parameter is regarded as the missing observations. During the estimation, these missing observations are estimated through previous estimated parameter of the model. Afterwards, these estimated missing observations are combined with the real observations to estimate the parameter of the model. In our mixture model, we shall regard {qi, i = 1, ... n} as the missing observations. Denote w = {Xi, Yi, i = 1, ... n} as the training data set. It is a straight forward calculation for the EM algorithm (see Liu, 1993b) once one w~it~ ~o~n the full probability f( {Yi, qdl{xd, 0-, 8). The algorithm is equivalent to mmimIzmg n L w~S-l)(Yi - (7) 7](Xi' 8))2 i=l and estimating 0- at the s step by (0-2)(S) = ~ l:~l W~!-l)(Yi - 7](Xi' 8(5?))2. = If we use f(ylx, 8, cr) oc exp( -p(IY-7]( x, 8) 110-)) and denote 1/J(z) p' (z), calculation yield, w E [qly, x, 0-, 8] ""~z) Iz=IY-71(X,9)I/u' This has exact the same choice of = wr = weight S - 1 ) as in the iterative reweighted regression algorithm [7]. What we have here, different from the work of Holland et al., is that we link the EM algorithm with the iterative reweighted algorithm, and also extend the algorithm to a much more general situation. The weighting Wi provides a measure of the goodness of a data point. Equation 7 estimates the parameters based on the portion of the data that are good. A penalization term on 8 can also be included in equation 7. 2 3.3 Choice Of Prior There are a lot choices of prior distribution 7r(q) (for discussion, see [11]). We only discuss the choice IIq '" X~, i.e., a chi distribution with II degree of freedom. By intergrating equation 4 f(Ylx 8 0-) = r'( v +dl/)/2) (1 + (Y-71(x,9?2)-(Il+dl/)/2. , " r(V/2)(q2V'1r)ctl//2 vu 2 It is a dy variate t distribution with II degree of freedom, mean 0 and covariance matrix cr 2 I. Calculation yields, E [q ly, x, 0-, 8] = v + (Y-~tx~9?)27u2 The t distribution prior on 8 can be 1r(8) ex: e- a (A ,9)/(2cr 2 ), which yields a additional penalization term 0:( A, 8) in equation 7, in which A denotes a tunning parameters of the penalization. 2A 195 196 Liu becomes a normal distribution as 1.1 goes to infinity. For finite 1.1, it has heavier tail than the normal distribution and thus is appropriate for regression with to outliers. Actually the condition for robustness, (y - 1J(x,8))w being bounded for a y with large value, is satisfied. The weighting w ex: 1/{1 + [Y -1J(x,8)f /a 2 } balances the influence of the ys with large values, achieving robustness with respect to outliers for the t distribution. 4 Model Selection Criteria The meaning of model is in a broad sense. It can be the degree of penalization, or a probability model, or a neural net architecture, or the combination of the above. A lot of work has been done in model selection [1, 17, 15, 4, 13, 14, 10, 12] . The choice of a model is based on its prediction ability. A natural choice is the expected negative log-likelihood. This is equivalent to using the Kullback-Leibler measure [9] for model selection, or -E [logf(ylx, model)] + E [log f(ylx, true model)]. This has problem if the model can not be normalized as in the case of a improper prior. Equation 7 implies that we can use Tm(w) = - 1 n ,,"",* Lt Wi (Yi - 1J(Xi' (Ld) A 2 (8) neff i=l as the cross-validation [16] assessment of model m, in which neff = Ei wi, wi is the convergence limit of w~s), or equation 6, and 8_ i is the estimator of 8 with ith data deleted from the full data set. The successfulness of the cross-validation method depends on a robust parameter estimation. The cross-validation method is to calculate the average prediction error on a data based on the rest of the data in the training data set. In the presence of outliers, predicting an outlier based on the rest of the data, is simply not meaningful in the evaluation of the model. Equation 8 takes consideration of the outliers. Using result from [10], we can show [11] with penalization term 0:(>',8), Tm(w) 1 ~ * -L t w i (Yi-1J(Xi,8)) 2 ~ (9) A + neff i=1 ~ t eff wirigJ i=1 [2: wi (gigJ - ri(i) + 'VI) 'VI)O:(>', 8)]-1 rigi (10) i in which gi = 'V1)1J(xi,8), (i = 'V1)'V~1J(xi,8) and ri = Yi -1J(xi,8). Thus if the models in comparison contains a improper prior, the above model selection statistics can be used. If the models in comparison have close forms of f(ylx, 8, u), the average negative log-likelihood can be used as the model selection criteria. In Liu's work [10], an approximation form for the unbiased estimation of expected negative log-likelihood was provided. If we use the negative log-likelihood plus a penalty term 0:(>.,8) as the parameter optimization criteria, the model selection statistics is 1~ A Tm(w) = - - Ltlogf(Yilxi,8_i) n . ~=1 ~ 1~ 1 -- Ltlogf(Yilxi,8) + -Tr(C n i=1 A n -1 D) (11) Robust Parameter Estimation and Model Selection for Neural Network Regression which C E~=l V' (1 log f(Yi lXi, B)V'~ log f(Yi lXi, B) and D = - E~=l V'(1V'pogf(Yilxi,B) + V'(1\7~a().,8). The optimal model is the one that minimizes this statistics. If the true underlying distribution is the normal distribution model and there is no penalization terms, it is easy to prove C -+ D as n goes to infinite. Then the statistics becomes AIC [1]. 10 o S o -1.5 ~-- o o o 00 o __~______~~__~______~____~______~____~ o 1 2 3 4 5 6 7 Figure 1: BPP fit to data set with leverages, and comparison with BPP fit to the data set without the leverages. An one hidden layer neural net with 4 hidden units, is fitted to a data set with 10 leverage, which are on the right side of X = 3.5, by using the conventional BPP method. The main body of the data (90 data points) was generated from Y = sin(x) + ? with ? .V(?j 0, a = 0.2). It can be noticed that the fit on the part of good data points was not dramatically influenced by the leverages. This verified our theoretical result about the robustness of a neural net with respect to leverages '"V 5 Illustrative Simulations For the results shown in figure 2 and 3, the training data set contains 93 data point from Y == sin( x) + ? and seven Y values (outliers) randomly generated from region [1, 2), in which ? '" .:\:'( ?j 0, a = 0.2). The neural net we use is of the form in equation 2. Denote h as the number of hidden units in the neural net. The caption of each figure (1, 2, 3) explains the usefulness of the parameter estimation algorithm and the model selection. Acknowledgements The author thanks Leon N Cooper, M. P. Perrone. The author also thanks his wife Congo This research was supported by grants from NSF, ONR and ARO. References [1] H. Akaike. Information theory and an extension of the maximum likelihood 197 198 Liu 1.1 1 .--.--~--~~--~--~--~~--~--~--~~--~~ 0.9 0.8 0.7 0.6 0.5 Tm statistics MSE on the test set (x 10- 1 ) OA'=-----'-__-'--__..L----l_ _---'-_ _---L--_L-----..l_ _---L-_ _..l.--_L-..---'-_ _-'---..d (3,3)(2,3)( 4,3)(2,4)(3,4)(5,3)(3,5)( 1,3)(3,7)( n,3X n,4X n,5X n, 7) models (/.I, h), n stands for normal distribution model (BPP fit) Figure 2: Model selection statistics Tm for fits to data set with outliers, tests on a independent data set with 1000 data points from y = sin(:z:) + ?, where ? '" JV(f.; 0, U 0.2). it can be seen that Tm statistics is in consistent with the error on the test data set. The Tm statistics favors t model with small /.I than for the normal distribution models. = 2 0 0 0 1.5 00 0 0 1 0.5 Y 0 0 t3 model with outliers BPP fit with outliers PP fit without outliers -0.5 -1 -1.5 0 1 2 4 3 5 6 7 :z: Figure 3: Fits to data set with outliers, and comparison with BPP fit to the data set without the outliers. The best fit in the four BPP fits (h = 3), according to Tm statistics, was influenced by the outliers, tending to shift upwards. Although the distribution is not a t distribution at all, the best fit by the EM algorithm under the t model (/.I = 3, h = 3), also according to Tm statistics, gives better result than the BPP fit, actually is almost the same as the BPP fit (h = 3) to the training data set without the outliers. This is due to the fact that a t distribution has a heavy tail to accommodate the outliers Robust Parameter Estimation and Model Selection for Neural Network Regression principle. In Petrov and Czaki, editors, Proceedings of the 2nd International Symposium on Information Theory, pages 267-281, 1973. [2] J. O . Berger. Statistical Decision Theory and Bayesian Analysis. SpringerVerlag, 1985. [3] R. D. Cook and S. Weisberg. Characterization of an empirical influence function for detecting influential cases in regression. Technometrics, 22:495-508, 1980. [4] P. Craven and G. Wahba. Smoothing noisy data with spline functions:estimating the correct degree of smoothing by the method of generalized cross-validation. Numer. Math., 31:377-403, 1979. [5] A. P. Dempster, N. M. Laird, and D. B. Rubin. Maximum likelihood from incomplete data via the EM algorithm. (with discussion). J. Roy. Stat. Soc. Ser. B, 39:1-38, 1977. [6] F.R. Hampel, E.M. Rouchetti, P.l. Rousseeuw, and W.A. Stahel. Robust Statistics: The approach based on influence functions. Wiley, 1986. [7] P.J. Holland and R.E. Welsch. Robust regression using iteratively reweighted least-squares. Commun. Stat. A, 6:813-88, 1977. [8] P.l. Huber. Robust Statistics. New York: Wiley, 1981. [9] S. Kullback and R.A. Leibler. On information and sufficiency. 22:79-86, 1951. Ann. Stat., [10] Y. Liu. Neural Network Model Selection Using Asymptotic Jackknife Estimator and Cross-Validation Method. In C.L. Giles, S.l.and Hanson, and J.D. Cowan, editors, Advances in neural information processing system 5. Morgan Kaufmann Publication, 1993. [11] Y. Liu. Robust neural network parameter estimation and model selection for regression. Submitted., 1993. [12] Y. Liu. Unbiased estimate of generalization error and model selection criterion in neural network. Submitted to Neural Network, 1993. [13] D. MacKay. Bayesian methods for adaptive models. PhD thesis, California Institute of Technology, 1991. [14] J. E. Moody. The effective number of parameters, an analysis of generalization and regularization in nonlinear learning system. In l. E. Moody, S. l. Hanson, and R. P. Lippmann, editors, Advances in neural information processing system 4, pages 847-854. Morgan Kaufmann Publication, 1992. [15] G. Schwartz. Estimating the dimension of a model. Ann. Stat, 6:461-464, 1978. [16] M. Stone. Cross-validatory choice and assessment of statistical predictions (with discussion). J. Roy. Stat. Soc. Ser. B, 36:111-147, 1974. [17] M. Stone. An asymptotic equivalence of choice of model by cross-validation and Akaike's criterion. J. Roy. Stat. Soc., Ser. B, 39(1):44-47, 1977. 199
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Learning in Computer Vision and Image Understanding Hayit Greenspan Department of Electrical Engineering California Institute of Technology, 116-81 Pasadena, CA 91125 There is an increasing interest in the area of Learning in Computer Vision and Image Understanding, both from researchers in the learning community and from researchers involved with the computer vision world. The field is characterized by a shift away from the classical, purely model-based, computer vision techniques, towards data-driven learning paradigms for solving real-world vision problems. Using learning in segmentation or recognition tasks has several advantages over classical model-based techniques. These include adaptivity to noise and changing environments, as well as in many cases, a simplified system generation procedure. Yet, learning from examples introduces a new challenge - getting a representative data set of examples from which to learn. Applications of learning systems to practical problems have shown that the performance of the system is often critically dependent on both the size and quality of the training set. Federico Girosi of MIT suggested the use of prior information as a general method for synthesizing many training examples from few exemplars. Prototypical transformations are used for general 3D object recognition. Face-recognition was presented as a particular example. Dean Pomerleau of Carnegie Mellon addressed the training data problem as well, within the context of ALVINN, a neural network vision system which drives an autonomous van without human intervention. Some general problems emerge, such as getting sufficient training data for the more unexpected scenes including passing cars and intersections. Several techniques for exploiting prior geometric knowledge during training and testing of the neural-network, were presented. A somewhat different perspective was presented by Bartlett Mel of Caltech. Bartlett introduced a 3D object recognition approach based on concepts from the human visual system. Here the assumption is that a large database of examples exists, with varying viewing angles and distances, as is available to human observers as they manipulate and inspect common objects. A different issue of interest was using learning schemes in general recognition frameworks which can handle several different vision problems. Hayit Greenspan of Caltech suggested combining unsupervised and supervised learning approaches within a multiresolution image representation space, for texture and shape recognition. It was suggested that shifting the input pixel representation to a more robust representation (using a pyramid filtering approach) in combination with learning 1182 Learning in Computer Vision and Image Understanding schemes can combine the advantages of both approaches. Jonathan Marshall of Univ. of North Carolina concentrated on unsupervised learning and proposed that a common set of unsupervised learning rules might provide a basis for communication between different visual modules (such as stereopsis, motion perception, depth and so forth). The role of unsupervised learning in vision tasks, and its combination with supervised learning, was an issue of discussion. The question arose on how much unsupervised learning is actually unsupervised. Some a-priori knowledge, or bias, is always present (e.g., the metric chosen for the task). Eric Saund of Xerox introduced the window registration problem in unsupervised learning of visual features. He argued that there is a strong dependence on the window placement as slight shifts in the window placement can represent confounding assignments of image data to the input units of the classifying network. Chris Williams of Toronto introduced the use of unsupervised learning for classifying objects. Given a set of images, each of which contains one instance of a small but unknown set of objects imaged from a random viewpoint, unsupervised learning is used to discover the object classes. Data is grouped into objects via a mixture model which is trained with the EM algorithm. Real-world computer vision applications in which learning can playa major role, and the challenges involved, was an additional theme in the workshop. Yann Le Cun of AT&T described a handwritten word recognizer system of multiple modules, as an example of a large scale vision system. Yann suggested that increasing the role of learning in all modules allows one to minimize the amount of hand-built heuristics and improves the robustness and generality of the system. Challenges include training large learning machines which are composed of multiple, heterogeneous modules, and what the modules should contain. Padhraic Smyth of JPL introduced the challenges for vision and learning in the context of large scientific image databases. In this domain there is often a large amount of data which typically has no ground truth labeling. In addition, natural objects can be much more difficult to deal with than man made objects. Learning can be valuable here, as a low-cost solution and sometimes the only solution (with model-based schemes being impractical). The task of face recognition was addressed by Joachim Buhmann of Bonn. Elastic matching was introduced for translation, rotation and scale invariant recognition. Methods to combine unsupervised and supervised data clustering with elastic matching to learn a discriminant metric and enhance saliency of prototypes were discussed. Related issues from a recent AAAI forum on Machine Learning in Computer Vision, were presented by Rich Zemel of the Salk Institute. In Conclusion The vision world is very diverse with each different task introducing a whole spectrum of challenges and open issues. Currently, many of the approaches are very application dependent. It is clear that much effort still needs to be put in the definition of the underlying themes of the field as combined across the different application domains. There was general agreement at the workshop that the issues brought up should be pursued further and discussed at future follow-up workshops. Special thanks to Padhraic Smyth, Tommy Poggio, and Rama Chellappa for their contribution to the organization of the workshop. 1183
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Autoencoders, Minimum Description Length and Helmholtz Free Energy Geoffrey E. Hinton Department of Computer Science University of Toronto 6 King's College Road Toronto M5S lA4, Canada Richard S. Zemel Computational Neuroscience Laboratory The Salk Institute 10010 North Torrey Pines Road La Jolla, CA 92037 Abstract An autoencoder network uses a set of recognition weights to convert an input vector into a code vector. It then uses a set of generative weights to convert the code vector into an approximate reconstruction of the input vector. We derive an objective function for training autoencoders based on the Minimum Description Length (MDL) principle. The aim is to minimize the information required to describe both the code vector and the reconstruction error. We show that this information is minimized by choosing code vectors stochastically according to a Boltzmann distribution, where the generative weights define the energy of each possible code vector given the input vector. Unfortunately, if the code vectors use distributed representations, it is exponentially expensive to compute this Boltzmann distribution because it involves all possible code vectors. We show that the recognition weights of an autoencoder can be used to compute an approximation to the Boltzmann distribution and that this approximation gives an upper bound on the description length. Even when this bound is poor, it can be used as a Lyapunov function for learning both the generative and the recognition weights. We demonstrate that this approach can be used to learn factorial codes. 1 INTRODUCTION Many of the unsupervised learning algorithms that have been suggested for neural networks can be seen as variations on two basic methods: Principal Components Analysis (PCA) 3 4 Hinton and Zemel and Vector Quantization (VQ) which is also called clustering or competitive learning. Both of these algorithms can be implemented simply within the autoencoder framework (Baldi and Hornik, 1989; Hinton, 1989) which suggests that this framework may also include other algorithms that combine aspects of both. VQ is powerful because it uses a very non-linear mapping from the input vector to the code but weak because the code is a purely local representation. Conversely, PCA is weak because the mapping is linear but powerful because the code is a distributed, factorial representation. We describe a new objective function for training autoencoders that allows them to discover non-linear, factorial representations. 2 THE MINIMUM DESCRIPfION LENGTH APPROACH One method of deriving a cost function for the activities of the hidden units in an autoencoder is to apply the Minimum Description Length (MDL) principle (Rissanen 1989). We imagine a communication game in which a sender observes an ensemble of training vectors and must then communicate these vectors to a receiver. For our purposes, the sender can wait until all of the input vectors have been observed before communicating any of them - an online method is not required. Assuming that the components of the vectors are finely quantized we can ask how many bits must be communicated to allow the receiver to reconstruct the input vectors perfectly. Perhaps the simplest method of communicating the vectors would be to send each component of each vector separately. Even this simple method requires some further specification before we can count the number of bits required. To send the value, Xi,c, of component i of input vector c we must encode this value as a bit string. If the sender and the receiver have already agreed on a probability distribution that assigns a probability p( x) to each possible quantized value, x, Shannon's coding theorem implies that x can be communicated at a cost that is bounded below by -log p( x) bits. Moreover, by using block coding techniques we can get arbitrarily close to this bound so we shall treat it as the true cost. For coding real values to within a quantization width of t it is often convenient to assume a Gaussian probability distribution with mean zero and standard deviation (1'. Provided that (1' is large compared with t, the cost of coding the value x is then -logt + 0.5 log 21r(1'2 + x 2 /2(1'2. This simple method of communicating the trainjng vectors is generally very wasteful. If the components of a vector are correlated it is generally more efficient to convert the input vector into some other representation before communicating it. The essence of the MDL principle is that the best model of the data is the one that minimizes the total number of bits required to communicate it, including the bits required to describe the coding scheme. For an autoencoder it is convenient to divide the total description length into three terms. An input vector is communicated to the receiver by sending the activities of the hidden units and the residual differences between the true input vector and the one that can be reconstructed from the hidden activities. There is a code cost for the hidden activities and a reconstruction cost for the residual differences. In addition there is a one-time model cost for communicating the weights that are required to convert the hidden activities into the output of the net. This model cost is generally very important within the MDL framework, but in this paper we will ignore it. In effect, we are considering the limit in which there is so much data that this limited model cost is negligible. PCA can be viewed as a special case of MDL in which we ignore the model cost and we limit the code cost by only using m hidden units. The question of how many bits are required Autoencoders, Minimum Description Length, and Helmhotz Free Energy to code each hidden unit activity is also ignored. Thus the only remaining term is the reconstruction cost. Assuming that the residual differences are encoded using a zero-mean Gaussian with the same predetermined variance for each component, the reconstruction cost is minimized by minimizing the squared differences. Similarly, VQ is a version of MDL in which we limit the code cost to at most log m bits by using only m winner-lake-all hidden units, we ignore the model cost, and we minimize the reconstruction cost. In standard VQ we assume that each input vector is converted into a specific code. Surprisingly, it is more efficient to choose the codes stochastically so that the very same input vector is sometimes communicated using one code and sometimes using another. This type of "stochastic VQ" is exactly equivalent to maximizing the log probability of the data under a mixture of Gaussians model. Each code of the VQ then corresponds to the mean of a Gaussian and the probability of picking the code is the posterior probability of the input vector under that Gaussian. Since this derivation of the mixture of Gaussians model is crucial to the new techniques described later, we shall describe it in some detail. 2.1 The "bits-back" argument The description length of an input vector using a particular code is the sum of the code cost and reconstruction cost. We define this to be the energy of the code, for reasons that will become clear later. Given an input vector, we define the energy of a code to be the sum of the code cost and the reconstruction cost. If the prior probability of code i is 1f'i and its squared reconstruction error is the energy of the code is d; Ei = -log 1f'i - k log t k d2 + "2 log 21f'0'2 + 20'2 (1) where k is the dimensionality of the input vector, 0'2 is the variance of the fixed Gaussian used for encoding the reconstruction errors and t is the quantization width. Now consider the following situation: We have fitted a VQ to some training data and, for a particular input vector, two of the codes are equally good in the sense that they have equal energies. In a standard VQ we would gain no advantage from the fact that there are two equally good codes. However, the fact that we have a choice of two codes should be worth something. It does not matter which code we use so if we are vague about the choice of code we should be able to save one bit when communicating the code. To make this argument precise consider the following communication game: The sender is already communicating a large number of random bits to the receiver, and we want to compute the additional cost of communicating some input vectors. For each input vector we have a number of alternative codes h1 ... hi ... h m and each code has an energy, Ei. In a standard VQ we would pick the code, j, with the lowest energy. But suppose we pick code i with a probability Pi that depends on Ei. Our expected cost then appears to be higher since we sometimes pick codes that do not have the minimum value of E. < Cost >= LPiEi (2) i where < ... > is used to denote an expected value. However, the sender can use her freedom of choice in stochastically picking codes to communicate some of the random 5 6 Hinton and Zemel bits that need to be communicated anyway. It is easy to see how random bits can be used to stochastically choose a code, but it is less obvious how these bits can be recovered by the receiver, because he is only sent the chosen code and does not know the probability distribution from which it was picked. This distribution depends on the particular input vector that is being communicated. To recover the random bits, the receiver waits until all of the training vectors have been communicated losslessly and then runs exactly the same learning algorithm as the sender used. This allows the receiver to recover the recognition weights that are used to convert input vectors into codes, even though the only weights that are explicitly communicated from the sender to the receiver are the generative weights that convert codes into approximate reconstructions of the input. After learning the recognition weights, the receiver can reconstruct the probability distribution from which each code was stochastically picked because the input vector has already been communicated. Since he also knows which code was chosen, he can figure out the random bits that were used to do the picking. The expected number of random bits required to pick a code stochastically is simply the entropy of the probability distribution over codes H=- LPi logpi (3) So, allowing for the fact that these random bits have been successfully communicated, the true expected combined cost is (4) Note that F has exactly the form of Helmholtz free energy. It can be shown that the probability distribution which minimizes F is e- E ; Pi = Lj e-Ej (5) This is exactly the posterior probability distribution obtained when fitting a mixture of Gaussians to an input vector. The idea that a stochastic choice of codes is more efficient than just choosing the code with the smallest value of E is an example of the concept of stochastic complexity (Rissanen, 1989) and can also be derived in other ways. The concept of stochastic complexity is unnecessarily complicated if we are only interested in fitting a mixture of Gaussians. Instead of thinking in terms of a stochastically chosen code plus a reconstruction error, we can simply use Shannon's coding theorem directly by assuming that we code the input vectors using the mixture of Gaussians probability distribution. However, when we start using more complicated coding schemes in which the input is reconstructed from the activities of several different hidden units, the formulation in terms of F is much easier to work with because it liberates us from the constraint that the probability distribution over codes must be the optimal one. There is generally no efficient way of computing the optimal distribution, but it is nevertheless possible to use F with a suboptimal distribution as a Lyapunov function for learning (Neal and Hinton, 1993). In MDL terms we are simply using a suboptimal coding scheme in order to make the computation tractable. One particular class of suboptimal distributions is very attractive for computational reasons. In a factorial distribution the probability distribution over m d alternatives factors into d independent distributions over m alternatives. Because they can be represented compactly, Autoencoders, Minimum Description Length, and Helmhotz Free Energy factorial distributions can be computed conveniently by a non-stochastic feed-forward recognition network. 3 FACTORIAL STOCHASTIC VECTOR QUANTIZATION Instead of coding the input vector by a single, stochastically chosen hidden unit, we could use several different pools of hidden units and stochastically pick one unit in each pool. All of the selected units within this distributed representation are then used to reconstruct the input. This amounts to using several different VQs which cooperate to reconstruct the input. Each VQ can be viewed as a dimension and the chosen unit within the VQ is the value on that dimension. The number of possible distributed codes is m d where d is the number of VQs and m is the number of units within a VQ. The weights from the hidden units to the output units determine what output is produced by each possible distributed code. Once these weights are fixed, they determine the reconstruction error that would be caused by using a particular distributed code. If the prior probabilities of each code are also fixed, Eq. 5 defines the optimal probability distribution over distributed codes, where the index i now ranges over the m d possible codes. Computing the correct distribution requires an amount of work that is exponential in d, so we restrict ourselves to the suboptimal distributions that can be factored into d independent distributions, one for each VQ. The fact that the correct distribution is not really factorial will not lead to major problems as it does in mean field approximations of Boltzmann machines (Galland, 1993). It will simply lead to an overestimate of the description length but this overestimate can still be used as a bound when learning the weights. Also the excess bits caused by the non-independence will force the generative weights towards values that cause the correct distribution to be approximately factorial. 3.1 Computing the Expected Reconstruction Error To perform gradient descent in the description length given in Eq. 4, it is necessary to compute, for each training example, the derivative of the expected reconstruction cost with respect to the activation probability of each hidden unit. An obvious way to approximate this derivative is to use Monte Carlo simulations in which we stochastically pick one hidden unit in each pool. This way of computing derivatives is faithful to the underlying stochastic model, but it is inevitably either slow or inaccurate. Fortunately, it can be replaced by a fast exact method when the output units are linear and there is a squared error measure for the reconstruction. Given the probability, hi, of picking hidden unit i in VQ v, we can compute the expected reconstructed output Yj for output unit j on a given training case (6) where bj is the bias of unit j and wji is the generative weight from ito j in VQ v. We can also compute the variance in the reconstructed output caused by the stochastic choices within the VQs. Under the assumption that the stochastic choices within different VQs are independent, the variances contributed by the different VQs can simply be added. (7) 7 8 Hinton and Zemel The expected squared reconstruction error for each output unit is Vi + (Yj - dj )2 where dj is the desired output. So if the reconstruction error is coded assuming a zero-mean Gaussian distribution the expected reconstruction cost can be computed exactlyl. It is therefore straightforward to compute the derivatives, with respect to any weight in the network, of all the terms in Eq. 4. 4 AN EXAMPLE OF FACTORIAL VECTOR QUANTIZATION Zemel (1993) presents several different data sets for which factorial vector quantization (FVQ) produces efficient encodings. We briefly describe one of those examples. The data set consists of 200 images of simple curves as shown in figure 1. A network containing 4 VQs, each containing 6 hidden units, is trained on this data set. After training, the final outgoing weights for the hidden units are as shown in figure 2. Each VQ has learned to represent the height of the spline segment that connects a pair of control points. By chaining these four segments together the image can be reconstructed fairly accurately. For new images generated in the same way, the description length is approximately 18 bits for the reconstruction cost and 7 bits for the code. By contrast, a stochastic vector quantizer with 24 hidden units in a single competing group has a reconstruction cost of 36 bits and a code cost of 4 bits. A set of 4 separate stochastic VQs each of which is trained on a different 8x3 vertical slice of the image also does slightly worse than the factorial VQ (by 5 bits) because it cannot smoothly blend the separate segments of the curve together. A purely linear network with 24 hidden units that performs a version of principal components analysis has a slightly lower reconstruction cost but a much higher code cost. Fixed x Positions Random y -------> Positions Figure 1: Each image in the spline dataset is generated by fitting a spline to 5 control points with randomly chosen y-positions. An image is formed by blurring the spline with a Gaussian. The intensity of each pixel is indicated by the area of white in the display. The resulting images are 8x12 pixels, but have only 5 underlying degrees of freedom. 1 Each VQ contributes non-Gaussian noise and the combined noise is also non-Gaussian. But since its variance is known, the expected cost of coding the reconstruction error using a Gaussian prior can be computed exactly. The fact that this prior is not ideal simply means that the computed reconstruction cost is an upper bound on the cost using a better prior. Autoencoders, Minimum Description Length, and Helmhotz Free Energy -':' ". I 1""-: ??"" :.> : :] .':':. " "~--~ .. Figure 2: The outgoing weights of the hidden units for a network containing 4 VQs with 6 units in each, trained on the spline dataset. Each 8x 12 weight block corresponds to a single unit, and each row of these blocks corresponds to one VQ. 5 DISCUSSION A natural approach to unsupervised learning is to use a generative model that defines a probability distribution over observable vectors. The obvious maximum likelihood learning procedure is then to adjust the parameters of the model so as to maximize the sum of the log probabilities of a set of observed vectors. This approach works very well for generative models, such as a mixture of Gaussians, in which it is tractable to compute the expectations that are required for the application of the EM algorithm. It can also be applied to the wider class of models in which it is tractable to compute the derivatives of the log probability of the data with respect to each model parameter. However. for non-linear models that use distributed codes it is usually intractable to compute these derivatives since they require that we integrate over all of the exponentially many codes that could have been used to generate each particular observed vector. The MDL principle suggest a way of making learning tractable in these more complicated generative models. The optimal way to code an observed vector is to use the correct posterior probability distribution over codes given the current model parameters. However, we are free to use a suboptimal probability distribution that is easier to compute. The description length using this suboptimal method can still be used as a Lyapunov function for learning the model parameters because it is an upper bound on the optimal description length. The excess description length caused by using the wrong distribution has the form of a Kullback-Liebler distance and acts as a penalty term that encourages the recognition weights to approximate the correct distribution as well as possible. There is an interesting relationship to statistical physics. Given an input vector, each possible code acts like an alternative configuration of a physical system. The function 9 10 Hinton and Zemel E defined in Eq. 1 is the energy of this configuration. The function F in Eq. 4 is the Helmholtz free energy which is minimized by the thermal equilibrium or Boltzmann distribution. The probability assigned to each code at this minimum is exactly its posterior probability given the parameters of the generative model. The difficulty of performing maximum likelihood learning corresponds to the difficulty of computing properties of the equilibrium distribution. Learning is much more tractable if we use the non-equilibrium Helmholtz free energy as a Lyapunov function (Neal and Hinton, 1993). We can then use the recognition weights of an autoencoder to compute some non-equilibrium distribution. The derivatives of F encourage the recognition weights to approximate the equilibrium distribution as well as they can, but we do not need to reach the equilibrium distribution before adjusting the generative weights that define the energy function of the analogous physical system. In this paper we have shown that an autoencoder network can learn factorial codes by using non-equilibrium Helmholtz free energy as an objective function. In related work (Zemel and Hinton 1994) we apply the same approach to learning population codes. We anticipate that the general approach described here will be useful for a wide variety of complicated generative models. It may even be relevant for gradient descent learning in situations where the model is so complicated that it is seldom feasible to consider more than one or two of the innumerable ways in which the model could generate each observation. Acknowledgements This research was supported by grants from the Ontario Information Technology Research Center, the Institute for Robotics and Intelligent Systems, and NSERC. Geoffrey Hinton is the Noranda Fellow of the Canadian Institute for Advanced Research. We thank Peter Dayan, Yann Le Cun, Radford Neal and Chris Williams for helpful discussions. References Baldi, P. and Hornik, K. (1989) Neural networks and principal components analysis: Learning from examples without local minima. Neural Networks, 2, 53-58. Galland, C. C. (1993) The limitations of deterministic Boltzmann machine learning. Network, 4, 355-379. Hinton, G. E. (1989) Connectionist learning procedures. Artificial Intelligence, 40, 185234. Neal, R., and Hinton. G. E. (1993) A new view of the EM algorithm that justifies incremental and other variants. Manuscript available/rom the authors. Rissanen.1. ( 1989) Stochastic Complexity in Statistical Inquiry. World Scientific Publishing Co .? Singapore. Zemel. R. S. (1993) A Minimum Description Length Framework/or Unsupervised Learning. PhD. Thesis. Department of Computer Science, University of Toronto. Zemel, R. S. and Hinton. G. E. (1994) Developing Population Codes by Minimizing Description Length. In I. Cowan, G. Tesauro. and I. Alspector (Eds.), Advances in Neural In/ormation Processing Systems 6, San Mateo, CA: Morgan Kaufmann.
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Catastrophic interference in connectionist networks: Can it be predicted, can it be prevented? Robert M. French Computer Science Department Willamette University Salem, Oregon 97301 [email protected] 1 OVERVIEW Catastrophic forgetting occurs when connectionist networks learn new information, and by so doing, forget all previously learned information. This workshop focused primarily on the causes of catastrophic interference, the techniques that have been developed to reduce it, the effect of these techniques on the networks' ability to generalize, and the degree to which prediction of catastrophic forgetting is possible. The speakers were Robert French, Phil Hetherington (Psychology Department, McGill University, [email protected]), and Stephan Lewandowsky (Psychology Department, University of Oklahoma, [email protected]). 2 PROTOTYPE BIASING AND FORCED SEPARATION OF HIDDEN-LAYER REPRESENTATIONS French indicated that catastrophic forgetting is at its worst when high representation overlap at the hidden layer combines with significant teacher-output error. He showed that techniques to reduce this overlap tended to decrease catastrophic forgetting. Activation sharpening, a technique that produces representations having a few highly active nodes and many low-activation nodes, was shown to be effective because it reduced representation overlap. However, this technique was ineffective for large data sets because creating localized representations reduced the number of possible hidden-layer representations. Hidden layer representations that were more distributed but still highly separated were needed. French introduced prototype biasing, a technique that uses a separate network to learn a prototype for each teacher pattern. Hidden-layer representations of new items are made to resemble their prototypes. Each representation is also "separated" from the representation of the previously encountered pattern according to the difference between the respective teachers. This technique produced hidden-layer representations that 1176 Catastrophic Interference in Connectionist Networks were both distributed and well separated. The result was a significant decrease in catastrophic forgetting. 3 ELIMINATING CATASTROPHIC INTERFERENCE BY PRETRAINING Hetherington presented a technique that consisted of prior training of the network on a large body of items of the same type as the new items in the sequential learning task. Hetherington measured the degree of actual forgetting, as did all of the authors, by the method of savings, i.e., by determining how long the network takes to relearn the original data set that has been "erased" by learning the new data. He showed that when networks are given the benefit of relevant prior knowledge, the representations of the new items are constrained naturally and interference may be virtually eliminated. The previously encoded knowledge causes new items to be encoded in more orthogonal manner (i.e., with less mutual overlap) than in a naive (Le., non-pretrained) network. The resulting decrease in representation overlap produced the virtual elimination of catastrophic forgetting. Hetherington also presented another technique that substantially reduced catastrophic interference in the sequential learning task. Learning of new items takes place in a windowed, or overlapping fashion. In other words, as new items are learned the network continues learning on the most recently presented items. 4 THE RELATIONSHIP BETWEEN INTERFERENCE AND GENERALIZATION Lewandowsky examined the hypothesis that generalization is compromised in networks that had been "manipulated" to decrease catastrophic interference by creating semi-distributed (i.e., only partially overlapping) representations at the hidden layer. He gave a theoretical analysis of the relationship between interference and generalization and then presented results from several different simulations using semi-distributed representations. His conclusions were that semi-distributed representations can significantly reduce catastrophic interference in backpropagation networks without diminishing their generalization abilities. This was only true, however, for techniques (e.g., activation sharpening) that reduced interference by creating a more robust final weight pattern but that did not change the activation surfaces of the hidden units. On the other hand, in models where interference is reduced by eliminating overlap between receptive fields of static hidden units (i.e., by altering their response surface), generalization abilities are impaired. In addition, Lewandowsky presented a technique that relied on orthogonalizing the input vectors to a standard backpropagation network by converting standard asymmetric input vectors (each node at 0 or 1) to symmetric input vectors (each input node at -lor 1). This technique was also found to significantly reduce catastrophic interference. 1177
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242 THE SIGMOID NONLINEARITY IN PREPYRIFORM CORTEX Frank H. Eeckman University of California, Berkeley, CA 94720 ABSlRACT We report a study ?on the relationship between EEG amplitude values and unit spike output in the prepyriform cortex of awake and motivated rats. This relationship takes the form of a sigmoid curve, that describes normalized pulse-output for normalized wave input. The curve is fitted using nonlinear regression and is described by its slope and maximum value. Measurements were made for both excitatory and inhibitory neurons in the cortex. These neurons are known to form a monosynaptic negative feedback loop. Both classes of cells can be described by the same parameters. The sigmoid curve is asymmetric in that the region of maximal slope is displaced toward the excitatory side. The data are compatible with Freeman's model of prepyriform burst generation. Other analogies with existing neural nets are being discussed, and the implications for signal processing are reviewed. In particular the relationship of sigmoid slope to efficiency of neural computation is examined. INTRODUCTION The olfactory cortex of mammals generates repeated nearly sinusoidal bursts of electrical activity (EEG) in the 30 to 60 Hz. range 1. These bursts ride on top of a slower ( 1 to 2 Hz.), high amplitude wave related to respiration. Each burst begins shortly after inspiration and terminates during expiration. They are generated locally in the cortex. Similar bursts occur in the olfactory bulb (OB) and there is a high degree of correlation between the activity in the two structures!' The two main cell types in the olfactory cortex are the superficial pyramidal cell (type A), an excitatory neuron receiving direct input from the OB, and the cortical granule cell (type B), an inhibitory interneuron. These cell groups are monosynaptically connected in a negative feedback loop2. Superficial pyramidal cells are mutually excitatory3, 4, 5 as well as being excitatory to the granule cells. The granule cells are inhibitory to the pyramidal cells as well as to each other3, 4, 6. In this paper we focus on the analysis of amplitude dependent properties: How is the output of a cellmass (pulses) related to the synaptic potentials (ie. waves)? The concurrent recording of multi-unit spikes and EEG allows us to study these phenomena in the olfactory cortex. The anatomy of the olfactory system has been extensively studied beginning with the work of S. Ramon y Cajal 7. The regular geometry and the simple three-layered architecture makes these structures ideally suitable for EEG recording 4, 8. The EEG generators in the various olfactory regions have been identified and their synaptic connectivities have been extensively studied9, 10,5,4, 11,6. The EEG is the scalar sum of synaptic currents in the underlying cortex. It can be recorded using low impedance ? .5 Mohm) cortical or depth electrodes. Multiunit signals are recorded in the appropriate cell layers using high impedance (> .5 Mohm) electrodes and appropriate high pass filtering. Here we derive a function that relates waves (EEG) to pulses in the olfactory cortex of the rat. This function has a sigmoidal shape. The derivative of this curve ? American Institute of Physics 1988 243 gives us the gain curve for wave-to-pulse conversion. This is the forward gain for neurons embedded in the cortical cellmass. The product of the forward gain values of both sets of neurons (excitatory and inhibitory) gives us the feedback gain values. These ultimately determine the dynamics of the system under study. MATERIALS AND METI-IODS A total of twenty-nine rats were entered in this study. In each rat a linear array of 6 100 micron stainless steel electrodes was chronically implanted in the prepyriform (olfactory) cortex. The tips of the electrodes were electrolytically sharpened to produce a tip impedance on the order of .5 to 1 megaohm. The electrodes were implanted laterally in the midcortex, using stereotaxic coordinates. Their position was verified electrophysiologically using a stimulating electrode in the olfactory tract. This procedure has been described earlier by Freeman 12. At the end of the recording session a small iron deposit was made to help in histological verification. Every electrode position was verified in this manner. Each rat was recorded from over a two week period following implantation. All animals were awake and attentive. No stimulation (electrical or olfactory) was used. The background environment for recording was the animal's home cage placed in the same room during all sessions. For the present study two channels of data were recorded concurrently. Channel 1 carried the EEG signal, filtered between 10 and 300 Hz. and digitized at 1 ms intervals. Channel 2 carried standard pulses 5 V, 1.2 ms wide, that were obtained by passing the multi-unit signal (filtered between 300 Hz. and 3kHz.) through a window discriminator. These two time-series were stored on disk for off-line processing using a PerkinElmer 3220 computer. All routines were written in FORTRAN. They were tested on data files containing standard sine-wave and pulse signals. DATA PROCESSING The procedures for obtaining a two-dimensional conditional pulse probability table have been described earlier 4. This table gives us the probability of occurrence of a spike conditional on both time and normalized EEG amplitude value. By counting the number of pulses at a fixed time-delay, where the EEG is maximal in amplitude, and plotting them versus the normalized EEG amplitudes, one obtains a sigmoidal function: The Pulse probability Sigmoid Curve (PSC) 13, 14. This function is normalized by dividing it by the average pulse level in the record. It is smoothed by passing it through a digital 1: 1: 1 filter and fitted by nonlinear regression. The equations are: Q = Qmax ( 1- exp [ - ( ev - 1) I Qmax ]) for v> - uO Q = -1 for v < - uO (1 ) where uO is the steady state voltage, and Q = (p-PO)/pO. and Qmax =(Pmax-PO)/pO. PO is the background pulse count, Pmax is the maximal pulse count. These equations rely on one parameter only. The derivation and justification for these equations were discussed in an earlier paper by Freeman 13. 244 RESULTS Data were obtained from all animals. They express normalized pulse counts, a dimensionless value as a function of normalized EEG values, expressed as a Z-score (ie. ranging from - 3 sd. to + 3 sd., with mean of 0.0). The true mean for the EEG after filtering is very close to 0.0 m V and the distribution of amplitude values is very nearly Gaussian. The recording convention was such that high EEG-values (ie. > 0.0 to + 3.0 sd.) corresponded to surface-negative waves. These in turn occur with activity at the apical dendrites of the cells of interest. Low EEG values (ie. from - 3.0 sd. to < 0.0) corresponded to surface-positive voltage values, representing inhibition of the cells. The data were smoothed and fitted with equation (1). This yielded a Qrnax value for every data file. There were on average 5 data files per animal. Of these 5, an average of 3.7 per animal could be fitted succesfully with our technique. In 25 % of the traces, each representing a different electrode pair, no correlations between spikes and the EEG were found. Besides Qmax we also calculated Q' the maximum derivative of the PSC, representing the maximal gain. There were 108 traces in all. In the first 61 cases the Qrnax value described the wave-to-pulse conversion for a class of cells whose maximum firing probability is in phase with the EEG. These cells were labelled type A cells 2. These traces correspond to the excitatory pyramidal cells. The mean for Qmax in that group was 14.6, with a standard deviation of 1.84. The range was 10.5 to 17.8. In the remaining 47 traces the Qmax described the wave-to-pulse conversion for class B cells. Class B is a label for those cells whose maximal firing probability lags the EEG maximum by approximately 1/4 cycle. The mean for Qrnax in that group was 14.3, with a standard deviation of 2.05. The range in this group was 11.0 to 18.8. The overall mean for Qmax was 14.4 with a standard deviation of 1.94. There is no difference in Qmax between both groups as measured by the Student t-test. The nonparametric Wilcoxon rank-sum test also found no difference between the groups ( p =0.558 for the t-test; p = 0.729 for the Wilcoxon). Assuming that the two groups have Qmax values that are normally distributed (in group A, mean = 14.6, median = 14.6; in group B, mean = 14.3, median = 14.1), and that they have equal variances ( st. deviation group A is 1.84; st. deviation group B is 2.05) but different means, we estimated the power of the t-test to detect that difference in means. A difference of 3 points between the Qmax's of the respective groups was considered to be physiologically significant. Given these assumptions the power of the t-test to detect a 3 point difference was greater than .999 at the alpha .05 level for a two sided test. We thus feel reasonably confident that there is no difference between the Qmax values of both groups. The first derivative of the PSC gives us the gain for wave-to-pulse conversion4. The maximum value for this first derivative was labelled Q'. The location at which the maximum Q' occurs was labelled Vmax . Vmax is expressed in units of standard deviation of EEG amplitudes. The mean for Q' in group A was 5.7, with a standard deviation of .67, in group B it was 5.6 with standard deviation of .73. Since Q' depends on Qmax, the same statistics apply to both: there was no significant difference between the two groups for slope maxima. 245 Figure 1. Distribution of Qmax values group A 14 H CII .Q ~ - ",, 12 10 - 8 I- 6 I- group B ~ "' r- >, r-, ; . " ' , ,' , , , , , , , , H CII .Q ~ r"': ; ; ~ , , ,~ , ,, r, , 4 I- ~, , ': 1', ; , , ", 1';' , "" v, 2 .- , , , " v, , , ," ; , ".' o 1011121314151617181920 Qmax values ," 1',' " ; " ; ; 14 - 12 - 10 ~ 8 I- 6 I- 4 ~ 2 .- o "" ,~ , , ~" , , , ,, , ~, ," , , , ;: ,... , , ,, ,, , ,, " , " , , , , , , , , , , " ' , ,"!l~. , , .f71. , p: ; 1011121314151617181920 Qmax values The mean for Vmax was at 2.15 sd. +/- .307. In every case Vmax was on the excitatory side from 0.00, ie. at a positive value of EEG Z-scores. All values were greater than 1.00. A similar phenomenon has been reported in the olfactory bulb 4, 14, 15. Figure 2. Examples of sigmoid fits. A cell B cell 14 14 12 12 10 10 8 8 6 6 CII 4 4 ~ 2 2 0 0 -2 -2 ~ ~ ?rot ~ CII og 11\ Po -4 -3 -2 -1 0 1 2 3 -4 -3 -2 0 -1 1 normalized EEG amplitude Qm = 14.0 Qm = 13.4 2 3 246 COMPARISON WITH DATA FROM TIIE OB Previously we derived Qrnax values for the mitral cell population in the olfactory bulb14. The mitral cells are the output neurons of the bulb and their axons form the lateral olfactory tract (LOT). The LOT is the main input to the pyramidal cells (type A) in the cortex. For awake and motivated rats (N = 10) the mean Qmax value was 6.34 and the standard deviation was 1.46. The range was 4.41- 9.53. For anesthetized animals (N= 8) the mean was 2.36 and the standard deviation was 0.89. The range was 1.153.62. There was a significant difference between anesthetized and awake animals. Furthermore there is a significant difference between the Qmax value for cortical cells and the Qmaxvalue for bulbar cells (non - overlapping distributions). DISCUSSION An important characteristic of a feedback loop is its feedback gain. There is ample evidence for the existence of feedback at all levels in the nervous system. Moreover specific feedback loops between populations of neurons have been described and analyzed in the olfactory bulb and the prepyriform cortex 3, 9, 4. A monosynaptic negative feedback loop has been shown to exist in the PPC, between the pyramidal cells and inhibitory cells, called granule cells 3, 2, 6, 16. Time series analysis of concurrent pulse and EEG recordings agrees with this idea. The pyramidal cells are in the forward limb of the loop: they excite the granule cells. They are also mutually excitatory 2,4,16. The granule cells are in the feedback limb: they inhibit the pyramidal cells. Evidence for mutual inhibition (granule to granule) in the PPC also exists 17, 6. The analysis of cell firings versus EEG amplitude at selected time-lags allows one to derive a function (the PSC) that relates synaptic potentials to output in a neural feedback system. The first derivative of this curve gives an estimate of the forward gain at that stage of the loop. The procedure has been applied to various structures in the olfactory system 4, 13, 15, 14. The olfactory system lends itself well to this type of analysis due to its geometry, topology and well known anatomy. Examination of the experimental gain curves shows that the maximal gain is displaced to the excitatory side. This means that not only will the cells become activated by excitatory input, but their mutual interaction strength will increase. The result is an oscillatory burst of high frequency ( 30- 60 Hz.) activity. This is the mechanism behind bursting in the olfactory EEG 4, 13. In comparison with the data from the olfactory bulb one notices that there is a significant difference in the slope and the maximum of the PSC. In cortex the values are substantially higher, however the Vmax is similar. C. Gray 15 found a mean value of 2.14 +/- 0.41 for V max in the olfactory bulb of the rabbit (N= 6). Our value in the present study is 2.15 +/- .31. The difference is not statistically significant. There are important aspects of nonlinear coupling of the sigmoid type that are of interest in cortical functioning. A sigmoid interaction between groups of elements ("neurons") is a prominent feature in many artificial neural nets. S. Grossberg has extensively studied the many desirable properties of sigmoids in these networks. Sigmoids can be used to contrast-enhance certain features in the stimulus. Together with a thresholding operation a sigmoid rule can effectively quench noise. Sigmoids can also provide for a built in gain control mechanism 18, 19. 247 Changing sigmoid slopes have been investigated by J. Hopfield. In his network changing the slope of the sigmoid interaction between the elements affects the number of attractors that the system can go to 20. We have previously remarked upon the similarities between this and the change in sigmoid slope between waking and anesthetized animals 14. Here we present a system with a steep slope (the PPC) in series with a system with a shallow slope (the DB). Present investigations into similarities between the olfactory bulb and Hopfield networks have been reported 21, 22. Similarities between the cortex and Hopfieldlike networks have also been proposed 23. Spatial amplitude patterns of EEG that correlate with significant odors exist in the bulb 24. A transmission of "wave-packets" from the bulb to the cortex is known to occur 25. It has been shown through cofrequency and phase analysis that the bulb can drive the cortex 25, 26. It thus seeems likely that spatial patterns may also exist in the cortex. A steeper sigmoid, if the analogy with neural networks is correct, would allow the cortex to further classify input patterns coming from the olfactory bulb. In this view the bulb could form an initial classifier as well as a scratch-pad memory for olfactory events. The cortex could then be the second classifier, as well as the more permanent memory. These are at present speculations that may turn out to be premature. They nevertheless are important in guiding experiments as well as in modelling. Theoretical studies will have to inform us of the likelihood of this kind of processing. REFERENCES 1 S.L. Bressler and W.J. Freeman, Electroencephalogr. Clin. Neurophysiol. ~: 19 (1980). . 2 W.J. Freeman, J. Neurophysiol. ll: 1 (1968). 3 W.J. Freeman, Exptl. Neurol. .lO.: 525 (1964). 4 W.J. Freeman, Mass Action in the Nervous System. (Academic Press, N.Y., 1975), Chapter 3. 5 L.B. Haberly and G.M. Shepherd, Neurophys.~: 789 (1973). 6 L.B. Haberly and J.M. Bower, J. Neurophysiol. ll: 90 (1984). 7 S. Ramon y Cajal, Histologie du Systeme Nerveux de l'Homme et des Vertebres. ( Ed. Maloine, Paris, 1911) . 8 W.J. Freeman, BioI. Cybernetics . .3..5.: 21 (1979). 9 W. Rall and G.M. Shepherd, J. Neurophysiol.ll: 884 (1968). 10 G.M. Shepherd, Physiol. Rev. 5l: 864 (1972). 11 L.B. Haberly and J.L. Price, J. Compo Neurol. .l18.; 711 (1978). 12 W.J. Freeman, Exptl. Neurol. ~: 70 (1962). 13 W.J. Freeman, BioI. Cybernetics.ll: 237 (1979). 14 F.H. Eeckman and W.J. Freeman, AlP Proc. ill: 135 (1986). 15 C.M. Gray, Ph.D. thesis, Baylor College of Medicine (Houston,1986) 16 L.B. Haberly, Chemical Senses, .ll!: 219 (1985). 17 M. Satou et aI., J. Neurophysiol. ~: 1157 (1982). 18 S. Grossberg, Studies in Applied Mathematics, Vol LII, 3 (MIT Press, 1973) p 213. 19 S. Grossberg, SIAM-AMS Proc. U: 107 (1981). 20 J.J Hopfield, Proc. Natl. Acad. Sci. USA 8.1: 3088 (1984). 21 W.A. Baird, Physica 2.m: 150 (1986). 22 W.A. Baird, AlP Proceedings ill: 29 (1986). 23 M. Wilson and J. Bower, Neurosci. Abstr. 387,10 (1987). 248 24 K.A. Grajski and W.J. Freeman, AlP Proc.lS.l: 188 (1986). 25 S.L. Bressler, Brain Res. ~: 285 (1986). 26 S.L. Bressler, Brain Res.~: 294 (1986).
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9 Stochastic Learning Networks and their Electronic Implementation Joshua Alspector*. Robert B. Allen. Victor Hut. and Srinagesh Satyanarayanat Bell Communications Research. Morristown. NJ 01960 We describe a family of learning algorithms that operate on a recurrent, symmetrically connected. neuromorphic network that. like the Boltzmann machine, settles in the presence of noise. These networks learn by modifying synaptic connection strengths on the basis of correlations seen locally by each synapse. We describe a version of the supervised learning algorithm for a network with analog activation functions. We also demonstrate unsupervised competitive learning with this approach. where weight saturation and decay play an important role. and describe preliminary experiments in reinforcement learning. where noise is used in the search procedure. We identify the above described phenomena as elements that can unify learning techniques at a physical microscopic level. These algorithms were chosen for ease of implementation in vlsi. We have designed a CMOS test chip in 2 micron rules that can speed up the learning about a millionfold over an equivalent simulation on a VAX lln80. The speedup is due to parallel analog computation for snmming and multiplying weights and activations. and the use of physical processes for generating random noise. The components of the test chip are a noise amplifier. a neuron amplifier. and a 300 transistor adaptive synapse. each of which is separately testable. These components are also integrated into a 6 neuron and 15 synapse network. Finally. we point out techniques for reducing the area of the electronic correlational synapse both in technology and design and show how the algorithms we study can be implemented naturally in electronic systems. 1. INTRODUCTION Ibere has been significant progress. in recent years. in modeling brain function as the collective behavior of highly interconnected networks of simple model neurons. This paper focuses on the issue of learning in these networks especially with regard to their implementation in an electronic system. Learning phenomena that have been studied include associative memoryllJ. supervised leaming by error correction(2) and by stochastic search(3). competitive learning(4 ) lS) reinforcement leamingI6 ). and other forms of unsupervised leaming(7). From the point of view of neural plausibility as well as electronic implementation. we particularly like learning algorithms that change synaptic connection strengths asynchronously and are based only on information available locally at the synapse. This is illustrated in Fig. 1. where a model synapse uses only the correlations of the neurons it connects and perhaps some weak global evaluation signal not specific to individual neurons to decide how to adjust its conductance. ? t Address for correspondence: J. Alspector, BeU Communications ReselllCh, 2E-378, 435 South St., Morristown, Nl 07960 / (201) 8294342/ [email protected] Pennanent address: University of California, Belkeley, EE Department, Cory HaU, Belkeley, CA 94720 * PennllDeDt address: Columbia University, EE Department, S.W. Mudd Bldg., New Yolk, NY 10027 @ American Institute of Physics 1988 10 S, I C.=<s '1 i 's j > S, J <r> Hebb-type learning rule: If global scalar evaluation signal C ij Increases, (perhaps in the presence of r ) Increment W ij Fig. 1. A local correlational synapse. We believe that a stochastic search procedure is most compatible with this viewpoint. Statistical procedures based on noise form the communication pathways by which global optimization can take place based only on the interaction of neurons. Search is a necessary part of any learning procedure as the network attempts to find a connection strength matrix that solves a particular problem. Some learning procedures attack the search directly by gradient following through error (orrection[8J (9J but electronic implementation requires specifying which neurons are input, tudden and output in advanC'e and nece!;sitates global control of the error correction[2J procedure m a way that requires specific connectivity and ~ynch!'Ony at the neural Jevel. There is also the question of how such procedures would work with unsupervised methods and whether they might get stuck in local minima. Stochastic processes can also do gradient foUowing but they are better at avoiding minima, are compatible with asynchronous updates and local weight adjustments, and, as we show in this paper, can generalize well to less supervifM!d learning. The phenomena we studied are 1) analog activation, 2) noise, 3) semi-local Hebbian synaptic modification, and 4) weight decay and saturation. These techniques were applied to problems in supervised, unsupervised, and reinforcement learning. The goal of the study was to see if these diverse learning styles can be unified at the microscopic level with a small set of physically plausible and electronically implementable phenomena. The hope is to point the way for powerful electronic learning systems in the future by elucidating the conditions and the types of circuits that may be necessary. It may also be true that the conditions for electronic learning may 11 have some bearing on the general principles of biologicalleaming. 2. WCAL LEAltNlNG AND STOCHASl'IC SEARCH 2.1 Supervised Learning in Recurrent Networks with Analog Activations We have previously shown! 10] how the supervised learning procedure of the Boltzmann machine(3) can be implemented in an electronic system. This system works on a recurrent, symmetrically connected network which can be characterized as settling to a minimum in its Liapunov function(l]!II). While this architecture may stretch our criterion of neural plausibility, it does provide for stability and analyzability. The feedback connectivity provides a way for a supervised learning procedure to propagate information back through the network as the stochastic search proceeds. More plausible would be a randomly connected network where symmetry is a statistical approximation and inhibition damps oscillations, but symmetry is more efficient and weD matched to our choice of learning rule and search procedure. We have extended our electronic model of the Boltzmann machine to include analog activations. Fig. 2 shows the model of the neuron we used and its tanh or sigmoid transfer function. The net input consists of the usual weighted sum of activations from other neurons but, in the case of Boltzmann machine learning, these are added to a noise signal chosen from a variety of distributions so that the neuron performs the physical computation: activation =1 (neti FI (EwijSj+noise ):::tanh(gain*neti) Instead of counting the number of on-on and off-off cooccurrences of neurons which a synapse connects, the correlation rule now defines the value of a cooccurrence as: Cij=/i*/i where Ii is the activation of neuron i which is a real value from -1 to 1. Note that this rule effectively counts both on-on and off-off cooccurrences in the high gain limit. In this limit, for Gaussian noise, the cumulative probability distribution for the neuron to have activation +1 (on) is close to sigmoidal. The effect of noise "jitter" is illustrated at the bottom of the figure. The weight change rule is still: if Cij+ > Cij- then increment Wij .... else decrement where the plus phase clamps the output neurons in their desired states while the minus phase allows them to run free. As? mentioned, we have studied a variety of noise distributions other than those based on the Boltzmann distribution. The 2-2-1 XOR problem was selected as a test case since it has been shown! 10] to be easily caught in local minima. The gain was manipulated in conditions with no noise or with noise sampled from one of three distributions. The Gaussian distribution is closest to true electronic thermal noise such as used in our implementation, but we also considered a cut-off uniform distribution and a Cauchy distribution with long noise tails for comparison. The inset to Fig. 3 shows a histogram of samples from the noise distributions used. The noise was multiplied by the temperature to 'jitter' the transfer function. Hence. the jitter decreased as the annealing schedule proceeded. 12 1;. Vnol se 1;. f.(r. J I W II II vout or + noise) 1;. Vln+ or r. 1;. Vnol sl WIJI J + noise = ne~ high IIIln tr8nl'.. function wUh noll. 'line" Fig. 2. Electronic analog neuron. Fig. 3 shows average performance across 100 runs for the last 100 patterns of 2000 training pattern presentations. It can be seen that reducing the gain from a sharp step can improve learning in a small region of gain, even without noise. There seems to be an optimal gain level. However, the addition of noise for any distribution can substantially improve learning at all levels of gain. 1 ~ ----- - ~ 0.9 Gaussian Unifona Cauchy HO Hoise tlCLI ~ u~ c 0.8 0 ......-, .'.' ....u __. . . , .. .,.j ~ ~ 8.0 0.7 &: 0.6- ... 0.5 10 -3 ., 10 -2 -1 10 Inverse Gain Fig. 3. Proportion correct vs. inverse gain. 1 10 1 13 2.2 Stochastic Competitive Learning We have studied how competitive leaming(4J[~) can be accomplished with stochastic local units. Mter the presentation of the input pattern. the network is annealed and the weight is increased between the winning cluster unit and the input units which are on. As shown in Fig. 4 this approach was applied to the dipole problem of Rumelhart and Zipser. A 4x4 pixel array input layer connects to a 2 unit competitive layer with recurrent inhibitory connections that are not adjusted. The inhibitory connections provide the competition by means of a winner-lake-all process as the network settles. The input patterns are dipoles - only two input units are turned OIl at each pattern presentatiOll and they must be physically adjacent. either vertically or horizontally. In this way, the network learns about the connectedness of the space and eventually divides it into two equal spatial regions with each of the cluster units responding only to dipoles from one of the halves. Rumelhart and Zipser renormalized the weights after each pattern and picked the winning unit as the one with the highest activation. Instead of explicit nonnalization of the weights. we include a decay term proportional to the weight. The weights between the input layer and cluster layer are incremented for on-on correlations, but here there are no alternating phases so that even this gross synchrony is not necessary. Indeed. if small time constants are introduced to the weight updates. no external timing should be needed. winner-lake-all cluster layer input/ayer Pig. 4. Competitive learning network for the dipole problem. Fig. S shows the results of several runs. A 1 at the po~ition of an input unit means that unit 1 of the cluster layer has the larger weight leading to it from that position. A + between two units means the dipole from these two units excites unit 1. A 0 and - means that unit 0 is the winner in the complementary case. Note that adjacent l's should always have a + between them since both weights to unit 1 are stronger. H, however, there is a 1 next to a 0, then there is a tension in the dipole and a competition for dominance in the cluster layer. We define a figure of merit called "surface tension" which is the number of such dipoles in dispute. The smaller the number, the 14 better. Note in Runs A and B, the number is reduced to 4, the minimum possible value, after 2000 pattern presentations. The space is divided vertically and horizontally, respectively. Run C bas adopted a less favorable diagonal division with a surface tension of 6. Number of dipole pattern presentations 2000 1400 0 200 800 0-0-0-0 1+0-0+1 + + + + 1+1+1+1 + + 1+1-0-0 + 0-0-0-0 1+1+1+1 + + + 1+1+1-0 + + 1-0-0-0 1+1+1+1 + + + + 1+1+1+1 + - + 0-0-0-0 1+1+1+1 + + + + 1+1+1+1 - + 0-0-0-0 0-0-0-0 0-0-0-0 0-0-0-0 0-0-0+1 + + 0-0-1+1 - + + 0-0-1+1 - + + 0-0+1+1 -0-0-1+1 -- + - + + -0-0-1+1 0-0-0-1 -++ -0-0-1+1 - + + -0-0-1+1 --++ 0-0+1+1 0-0-0-0 RUn A 0-0-0-0 0-0-0-0 0-0-0-0 --- 0-0-0-0 0-0-0-0 -0-0-0+1 --+ -1-0-1+1 --+ 0-0-0-0 + - + + 1+0+1+1 0-0-0-0 Run B 0-0-0-0 0-0-0-0 Run C 0-0-0-0 0- 0-0-0 - -- - - - - - + + 0-0+1+1 -+++ 0-1+1+1 -++ + 0+1+1+1 + + + 0+1+1+1 + + + 0-0-0-0 - 1+1+1+1 + + + + 0+1+1+1 + + 0-0-0-0 0-0-0-0 0-0-0-0 0-0-0-0 0+1+1+1 0-1+1+1 - -- - - 0-0-1+1 1+1+1+1 + + + 0-0+1+1 + + 0-0-0-1 - - + 0-0-0-1 - -- Fig. 5. Results of competitive learning runs on the dipole problem. Table 1 sbows the result of several competitive algorithms compared when averaged over 100 such runs. The deterministic algorithm of Rumelhart and Zipser gives an average surface tension of 4.6 while the stochastic procedure is almost as good. Note that noise is essential in belping the competitive layer settle. Without noise the surface tension is 9.8, sbowing that the winner-takeall procedure is not working properly. Competitive learning algorithm "surface tension" Stochastic net with decay - anneal: T=3H T=1.0 - no anneal: 70 @ T=1.0 4.8 Stochastic net with renonnallzation 5.6 Deterministic, winner-take-all (Rumelhart & Zipser) 4.6 9.8 Table 1. Performance of competitive learning algorithms across 1()() runs. We also tried a procedure where, instead of decay, weights were renormalized. The model is that each neuron can support a maximum amount of weight leading into it. Biologically, this might be the area that other neurons can form synapses on, so that one synapse cannot increase its strength except at the expense of some of the others. Electronically, this can be implemented as 15 current emanating from a fixed clUTent source per neuron. As shown in Table 1, this works nearly as well as decay. Moreover, preliminary results show that renormalization is especiaUy effective when more then two cluster units are employed. Both of the stochastic algorithms, which can be implemented in an electronic synapse in nearly the same way as the supervised learning algorithm, divide the space just as the deterministic normalization procedure14J does. This suggests that our chip can do both styles of learning, supervised if one includes both phases and unsupervised if only the procedure of the minus phase is used. 1.3 Reiolorcelfteot Learning We have tried several approaches to reinforcement learning using the synaptic model of Fig. 1 where the evaluation signal is a scalar value available globally that represents how well the system performed on each trial. We applied this model to an xor problem with only one output unit. The reinforcement was r = 1 for the correct output and r = -1 otherwise. To the network, this was similar to supervised learning since for a single unit, the output state is fully specified by a scalar value. A major difference, however, is that we do not clamp the output unit in the desired state in order to compare plus and minus phases. This feature of supervised learning has the effect of adjusting weights to follow a gradient to the desired state. In the reinforcement learning described here, there is no plus phase. This has a satisfying aspect in that no overall synchrony is necessary to compare phases, but is also much slower at converging to a solution because the network has to search the solution space without the guidance of a teacher clamping the output units. This situation becomes much worse when there is more than one output unit. In that case, the probability of reinforcement goes down exponentially with the number of outputs. To test multiple outputs, we chose the simple replication problem whereby the output simply has to replicate the input. We chose the number of bidden units equal to the input (or output). 10 the absence of a teacher to clamp the outputs, the network has to find the answer by chance, guided only by a "critic" which rates its effort as "better" or "worse". This means the units must somehow search the space. We use the same stochastic units as in the supervised or unsupervised techniques, but now it is important to have the noise or the annealing temperature set to a proper level. If it is too high, the reinforcement received is random rather than directed by the weights in the network. If it is too low, the available states searched become too smaU and the probability of finding the right solution decreases. We tuned our annealing schedule by looking at a volatility measure defined at each neuron which is simply the fraction of the time the neuron activation is above zero. We then adjust the final anneal temperature so that this number is neither 0 or 1 (noise too low) nor 0.5 (noise too high). We used both a fixed annealing schedule for all neurons and a unit-specific schedule where the noise was proportional to the sum of weight magnitudes into the unit. A characteristic of reinforcement learning is that the percent correct initially increases but then decreases and often oscillates widely. To avoid this, we added a factor of (I - <r ? multiplying the final temperature. This helped to stabilize the learning. In keeping with our simple model of the synapse, we chose a weight adjustment technique that consisted of correlating the states of the connected neurons with the global reinforcement signal. Each synapse measured the quantity R =rs;sj for each pattern presented. If R >0, then ~';j is incremented and it is decremented if R <0. We later refined this procedure by insisting that the reinforcement be greater than a recent average so that R =(r-<,. > hi Sj. This type of procedure 16 appears in previous work in a number of fonns.(12] (13) For r =?l only, this "excess reinforcement" is the same as our previous algorithm but differs if we make a comparison between short term and long tenn averages or use a graded reinforcement such as the negative of the sum squared error. Following a suggestion by G. Hinton, we also investigated a more complex technique whereby each synapse must store a time average of three quantities: <r>, <SiSj>, and <rsiSj>. The definition now is R =<rsiSj>-<r><SjSj> and the rule is the same as before. Statistically, this is the same as "excess reinforcement" if the latter is averaged over trials. For the results reported below the values were collected across 10 pattern presentations. A variation. which employed a continuous moving average, gave similar results. Table 2 summarizes the perfonnance on the xor and the replication task of these reinforcement learning techniques. As the table shows a variety of increasingly sophisticated weight adjustment rules were explored; nevertheless we were unable to obtain good results with the techniques described for more than S output units. In the third column, a small threshold had to be exceeded prior to weight adjustment. In the fourth column, unit-specific temperatures dependent on the sum of weights, were employed. The last column in the table refers to frequency dependent learning where we trained on a single pattern until the network produced a correct answer and then moved on to another pattern. This final procedure is one of several possible techniques related to 'shaping' in operant learning theory in which difficult patterns are presented more often to the network. network xor 24-1 2-2-1 - eplication 2-2-2 3-3-3 444 S-S-S 6-6-6 t=1 time-averaged +?=0.1 +T-I:W +freq (0.60) 0.64 (0.58) 0.57 (0.70) 0.88 (0.69) 0.74 (0.76) 0.88 (0.96) 1.00 (0.92)0.99 (0.85) 1.00 (0.98) 1.00 (0.78) 0.88 (0.94)0.94 (0.15) 0.21 (0.46) 0.46 (0.31) 0.33 (0.91) 0.97 (0.31) 0.62 (0.87) 0.99 (0.37)0.37 (0.97) 1.00 (0.97) 1.00 (0.75) 1.00 (0.13) 0.87 (0.02) 0.03 - - - - - - - Table 2. Proportion correct performance of reinforcement learning after (2K) and 10K patterns. Our experiments. while incomplete, hint that reinforcement learning can also be implemented by the same type of local-global synapse that characterize the other learning paradigms. Noise is also necessary here for the random search procedure. 2... Sanunary of Study of hDdameatai Learning Par...eters In summary, we see that the use of noise and our model of a local correlational synapse with a DOn-specific global evaluation signal are two important features in all the learning paradigms. Graded activation is somewhat less important. Weight decay seems to be quite important although saturation can substitute for it in unsupervised learning. Most interesting from our point of view is that all these phenomena are electronically implementable and therefore physically 17 plausible. Hopefully this means they are also related to true neural phenomena and therefore provide a basis for unifying the various approaches of learning at a microscopic level. 3. ELECTRONIC IMPLEMENTATION 3.1 The Supervised LearDiog Chip We have completed the design of the chip previously proposed.(IO] Its physical style of computation speeds up learning a millionfold over a computer simulation. Fig. 6 shows a block diagram of the neuron. It is a double differential amplifier. One branch forms a sum of the inputs from the differential outputs of aU other neurons with connections to it. The other adds noise from the noise amplifier. This first stage has low gain to preserve dynamic range at the summing nodes. The second stage has high gain and converts to a single ended output. This is fed to a switching arrangement whereby either this output state or some externally applied desired state is fed into the final set of inverter stages which provide for more gain and guaranteed digital complementarity . Sdlslrld Fig. 6. Block diagram of neuron. The noise amplifier is shown schematically in Fig. 7. Thermal noise, with an nns level of tens of microvolts, from the channel of an FET is fed into a 3 stage amplifier. Each stage provides a potential gain of 100 over the noise bandwidth. Low pass feedback in each stage stabilizes the DC output as well as controls gain and bandwidth by means of an externally controlled variable resistance for tuning the annealing cycle. Fig. 8 shows a block diagram of the synapse. The weight is stored in 5 flip-flops as a sign and magnitude binary number. These flip-flops control the conductance from the outputs of neuron i to the inputs of neuron j and vice-versa as shown in the figure. The conductance of the FETs are in the ratio 1:2:4:8 to correspond to the value of the binary number while the sign bit determines whether the true or complementary lines connect. The flip-flops are arranged in a counter which is controUed by the correlation logic. If the plus phase correlations are greater than the minus phase, then the counter is incremented by a single unit If less, it is decremented. 18 Vcontrol I I l I >--.._V._.nOISI Fig. 7. Block diagram of noise amplifier. Sj or I Sj or I nior~ " T---~'-~__~--~ up. .r----... correlation "ncrement logic sgn down. o & set i------lhnl logic WI) or JI 2 phase 3 Fig. 8. Block diagram of synapse. Fig. 9 sbows the layout of a test chip. A 6 neuron, 15 synapse network may be seen in the lower left comer. Eacb neuron bas attacbed to it a noise amplifier to assure that the noise is uncorrelated. The network occupies an area about 2.5 mm on a side in 2 micron design rules. Eacb 300 transistor synapse occupies 400 by 600 microns. In contrast, a biological synapse occupies only about one square micron. The real miracle of biological learning is in the synapse wbere plasticity operates on a molecular level, not in the neuron. We can't bope to compete using transistors, bowevc:r small, especially in the digital domain. Aside from this small network, the rest of the chip is occupied with test structures of the various components. 3.1 Analog Synapse Analog circuit tecbni~ues can reduce the size of the synapse and increase its functionality. Several recent papers( 4] II~I have shown how to make a voltage controlled resistor in MOS technology. The voltage controlling the conductance representing the synaptic weight can be obtained by an analog charge integrator from the correlated activation of the neurons which the synapse in question connects. A charge integrator with a "leaky capacitor" bas a time constant 19 which can be used to make comparisons as a continuous time average over the last several trials. thereby' adding temporal information. One can envision this time constant as being adaptive as well. The charge integrator directly implements the analog Hebb-typel 16] correlation rules of section 2. ~.~ ~,~~~' ~ .. ~i~ 'i~ ~ ~~ilf'~~ .' ? ~., ?? ' /., ~ "'" )A , ..?'<""~ :~";" .. ? ./ . ' . \ ' :": :" . _ . ?????????? *?? :i . c?.. ..? ~.* If. ., ? iii ? - I I .? ~ii.:' ... ??.???? ??????????? ., ? ? ? ? ' ~ . _ ? ?? . .. . . . ~.~ It ill ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ~.I ':;;::dU:;.;;;.UEEi ......... . ? 1!~'.' -Jot- : ~ II. ~ ~" , i nr-':,~"?"";??;. :i ii r. ? . '. ,: :-"fO.,a'l.~"~;" ....... ..?.?..... ...?',...... ..... . . . . .. .? ??".? ? . ' ;~-. ...:t~"1I ? ??? ,;.:" 1IIi1. ~.... ...... ,? ?~I' ! : '. .. ,.... " ~ . :i .................. JjI! II~.~ ' ' :" :::'.l- ,.;,:,... s ?Ii,?iI'. . ? ? .. ....... :::, ':. Fig. 9. Chip layout. 3.3 Tecbnologicalbnprovemeots for Flectronic Neural Networks It is still necessary to store the voltage which controls the analog conductance and we propose the EPROMll7] or EEPROM device for this. Such a device can hold the value of the weight in the same way that flip-flops do in the digital implementation of the synapse(lOJ. The process which creates this device has two polysilicon layers which are useful for making high valued capacitances in analog circuitry. In addition. the second polysilicon layer could be used to make CCD devices for charge storage and transport. Coupled with the charge storage on a floating gate(l8], this forms a compact. low power representation for weight values that apyroach biological values. Another useful addition would be a high valued stable resistive layerl l9 . One 20 could thereby avoid space-wasting long-channel MOSFETs which are currently the only rea~ble way to achieve high resistance in MOS technology. Lastly, the addition of a diffusion step or two creates a Bi-CMOS process which adds high quality bipolar transistors useful in analog design. Furthermore, one gets the logarithmic dependence of voltage on current in bipolar technology in a natural, robust way, that is not subject to the variations inherent in using MOSFETs in the subthreshold region. This is especially useful in compressing the dynamic range in sensory processing[20J? 4. CONCLUSION We have shown how a simple adaptive synapse which measures correlations can account for a variety of learning styles in stochastic networks. By embellishing the standard CMOS process and using analog design techniques. a technology suitable for implementing such a synapse electronically can be developed. Noise is an important element in our formulation of learning. It can help a network settle, interpolate between discrete values of conductance during learning. and search a large solution space. Weight decay ("forgetting") and saturation are also important for stability. These phenomena not only unify diverse learning styles but are electronically implementabfe. ACKNOWLEDGMENT: This work has been influenced by many researchers. We would especially like to thank Andy Barto and Geoffrey Hinton for valuable discussions on reinforcement learning, Yannis Tsividis for contributing many ideas in analog circuit design, and Joel Gannett for timely releases of his vlsi verification software. 21 References 1. JJ. Hopfield, "Neural netwolks and physical systems with emergent coUective computational abilities", Proc. Natl. Acad. Sci. USA 79,2554-2558 (1982). 2. D.E. Rumelhart, G.E. Hinton, and RJ. Williams, "Learning internal representations by error propagation", in Paralld Distribuled Processing: Explorations in th~ Microstructur~ of Cognition. Vol. 1: Foundations. edited by D.E. Rumelhart and J.L. McClelland, (MrT Press, Cambridge, MA, 1986), p. 318. 3. D.H. Ackley, G.E. Hinton, and T J. Sejnowski, "A learning algorithm for Boltzmann machines", Cognitive Science 9, 147-169 (1985). 4. D.E. Rumelhart and D. apser, ''Feature dillCovery by competitive learning", Cognitive Science 9, 75-112 (1985). 5. s. Grossberg, "Adaptive pattern classification and universal recoding: Part L Parallel development and coding of neural feature detectors.", Biological Cybernetics 23, 121-134 (1976). 6. A.G. Barto, R.S. Sutton, and C.W. Anderson, "Neuronlike adaptive elements that can solve difficult learning control problems",1EEE Trans. Sys. Man Cyber. 13,835 (1983). 7. B.A. Pearlmutter and G.E. Hinton, "G-Maximization: An unsupervised learning procedure for discovering regularities", in N~ural Networks for Computing. edited by J.S. Denker, AIP Conference Proceedings 151, American Inst. of Physics, New Yolk (1986), p.333. 8. F. Rosenblatt, Principirs of Neurodyrramics: Perc~ptrons and the Th~ory of Brain Mechanisms (Spartan Books, Washington, D.C., 1961). 9. G. Widrowand M.E. Hoff, "Adaptive switching cirt:uits", Inst. of Radio Engineers, Western Electric Show and Convention. COftycntion Record, Part 4, ~104 (1960). 10. J. Alspeaor and R.B. Allen, "A neuromorphic vlsi learning system". in M~'aN:rd Rrs~arch in VLSl: Procudings ofth~ 1987 StQ1lfordConf~rtnu. edited by P. Losleben (MIT Press, Cambridge, MA.1987), pp. 313-349. 11. M.A. Cohen and S. Grossberg, "Absolute stability of global pattern formation and parallel memory storage by competitive neural networks", Trans. IEEE 13,815, (1983). 12. B. Widrow. N.K. Gupta, and S. Maitra, "Punish,IReward: Learning with a critic in adaptive threshold systems", IEEE Trans. on Sys. Man & Cyber., SMC-3, 455 (1973). 13. R.S. Sutton, "Temporal credit assignment in reinforcement learning", unpublished doctoral dissertation, U. Mass. Amherst, technical report COINS 84-02 (1984). ]4. Z. Czamul, "Design of voltage-controlled linear ttansconductance elements with a muched pair of FET transistors", IEEE Trans. Cire. Sys. 33, 1012, (1986). 15. M. Banu and Y. Tsividis, "Flouing voltage-controUed resistors in CMOS technology", Electron. Lett. 18,678-679 (1982). 16. D.O. Hebb, Th~ OrganizotiOlf ofBtMV;oT (Wiley, NY, 19(9). 17. D. Frohman-Bentchkowsky. HFAMOS - ? new semiconductor charge storage device", Solid-State Electronics 17, 517 (1974). 18. J.P. Sage, K.. Thompson, and R.S. Withers, "An artificial neural network integrued circuit based on MNOS/CCD principles", in Nrural Networks for Computing. edited by J.S. Denker. AIP Conference Proceedings 151, American lost. of Physics, New York (1986), p.38 1. 19. A.P. ThaJcoor, J.L. Lamb. A. Moopenn, and J. Lambe, "Binary synaptic connections ba!ICd on memory switching in a-Si:H". in Neural N~"""orks for Computing. edited by J.S. Denker, AIP Conference Proceedings 151. American Inst. of Physics, New York (1986), p.426. 20. M.A. Sivilotti, M.A. Mahowald, and C.A. Mead, ~ReaJ-Time visual computations using analog CMOS processing arrays", in Advanud R~S('arch in VLSl: Prou~dings of thr 1987 Stanford (MIT Press, Cambridge, MA, 1987), pp. 295-312. Corrf~r~nu. edited by P. Losleben
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Foraging in an Uncertain Environment Using Predictive Hebbian Learning P. Read Montague: Peter Dayan, and Terrence J. Sejnowski Computational Neurobiology Lab, The Salk Institute, 100 ION. Torrey Pines Rd, La Jolla, CA, 92037, USA read~bohr.bcm.tmc.edu Abstract Survival is enhanced by an ability to predict the availability of food, the likelihood of predators, and the presence of mates. We present a concrete model that uses diffuse neurotransmitter systems to implement a predictive version of a Hebb learning rule embedded in a neural architecture based on anatomical and physiological studies on bees. The model captured the strategies seen in the behavior of bees and a number of other animals when foraging in an uncertain environment. The predictive model suggests a unified way in which neuromodulatory influences can be used to bias actions and control synaptic plasticity. Successful predictions enhance adaptive behavior by allowing organisms to prepare for future actions, rewards, or punishments. Moreover, it is possible to improve upon behavioral choices if the consequences of executing different actions can be reliably predicted. Although classical and instrumental conditioning results from the psychological literature [1] demonstrate that the vertebrate brain is capable of reliable prediction, how these predictions are computed in brains is not yet known. The brains of vertebrates and invertebrates possess small nuclei which project axons throughout large expanses of target tissue and deliver various neurotransmitters such as dopamine, norepinephrine, and acetylcholine [4]. The activity in these systems may report on reinforcing stimuli in the world or may reflect an expectation of future reward [5, 6,7,8]. *Division of Neuroscience, Baylor College of Medicine, Houston, TX 77030 598 Foraging in an Uncertain Environment Using Predictive Hebbian Learning A particularly striking example is that of the honeybee. Honeybees can be conditioned to a sensory stimulus such as a color, visual pattern, or an odorant when the sensory stimulus is paired with application of sucrose to the antennae or proboscis. An identified neuron, VUMmxl, projects widely throughout the entire bee brain, becomes active in response to sucrose, and its firing can substitute for the unconditioned odor stimulus in classical conditioning experiments [8]. Similar diffusely projecting neurons in the bee brain may substitute for reward when paired with a visual stimulus. In this paper, we suggest a role for diffuse neurotransmitter systems in learning and behavior that is analogous to the function we previously postulated for them in developmental selforganization[3, 2]. Specifically, we: (i) identify a neural substrate/architecture which is known to exist in both vertebrates and invertebrates and which delivers information to widespread regions of the brain; (ii) describe an algorithm that is both mathematically sound and biologically feasible; and (iii) show that a version of this local algorithm, in the context of the neural architecture, reproduces the foraging and decision behavior observed in bumble bees and a number of other animals. Our premise is that the predictive relationships between sensory stimuli and rewards are constructed through these diffuse systems and are used to shape both ongoing behavior and reward-dependent synaptic plasticity. We illustrate this using a simple example from the ethological literature for which constraints are available at a number of different levels. A Foraging Problem Real and colleagues [9, 10] performed a series of experiments on bumble bees foraging on artificial flowers whose colors, blue and yellow, predicted of the delivery of nectar. They examined how bees respond to the mean and variability of this reward delivery in a foraging version of a stochastic two-armed bandit problem [11]. All the blue flowers contained 2\-1l of nectar, of the yellow flowers contained 6 \-1l, and the remaining j of the yellow flowers contained no nectar at all. In practice, 85% of the bees' visits were to the constant yield blue flowers despite the equivalent mean return from the more variable yellow flowers. When the contingencies for reward were reversed, the bees switched their preference for flower color within 1 to 3 visits to flowers. They further demonstrated that the bees could be induced to visit the variable and constant flowers with equal frequency if the mean reward from the variable flower type was made sufficiently high. l This experimental finding shows that bumble bees, like honeybees, can learn to associate color with reward. Further, color and odor learning in honeybees has approximately the same time course as the shift in preference descri bed above for the bumble bees [12]. It also indicates that under the conditions of a foraging task, bees prefer less variable rewards and compute the reward availability in the short term. This is a behavioral strategy utilized by a variety of animals under similar conditions for reward [9, 10, 13] suggesting a common set of constraints in the underlying neural substrate. The Model Fig. 1 shows a diagram of the model architecture, which is based on the considerations above about diffuse systems. Sensory input drives the units 'B' and 'Y' representing blue and yellow flowers. These neurons (outputs x~ and respectively at time t) project xi 599 600 Montague, Dayan, and Sejnowski Action selection Motor systems Lateral inhibition Figure 1: Neural architecture showing how predictions about future expected reinforcement can be made in the brain using a diffuse neurotransmitter system [3, 2]. In the context of bee foraging [9], sensory input drives the units Band Y representing blue and yellow flowers. These units project to a reinforcement neuron P through a set of variable weights (filled circles w B and w Y) and to an action selection system. Unit S provides input to n and fires while the bee sips the nectar. R projects its output rt through a fixed weight to P. The variable weights onto P implement predictions about future reward rt (see text) and P's output is sensitive to temporal changes in its input. The output projections of P, bt (lines with arrows), influence learning and also the selection of actions such as steering in flight and landing, as in equation 5 (see text). Modulated lateral inhibition (dark circle) in the action selection layer symbolizes this. Before encountering a flower and its nectar, the output of P will reflect the temporal difference only between the sensory inputs Band Y. During an encounter with a flower and nectar, the prediction error bt is determined by the output of B or Y and R, and learning occurs at connections w B and w Y. These strengths are modified according to the correlation between presynaptic activity and the prediction error bt produced by neuron P as in equation 3 (see text). Learning is restricted to visits to flowers [14]. through excitatory connection weights both to a diffusely projecting neuron P (weights w B and w Y) and to other processing stages which control the selection of actions such as steering in flight and landing. P receives additional input rt through unchangeable wei~hts. In the absence of nectar (rt = 0), the net input to P becomes V t W t ?Xt = w~x~ +w t x~. = The first assumption in the construction of this model is that learning (adjustment of weights) is contingent upon approaching and landing on a flower. This assumption is supported specifically by data from learning in the honeybee: color learning for flowers is restricted to the final few seconds prior to landing on the flower and experiencing the nectar [14]. This fact suggests a simple model in which the strengths of variable connections adjusted according to a presynaptic correlational rule: Wt are (1 ) where oc is the learning rate [15]. There are two problems with this formulation: (i) learning would only occur about contingencies in the presence of a reinforcing stimulus (rt =/: 0); Foraging in an Uncertain Environment Using Predictive Hebbian Learning A B -- 1.0 ~ 0 .8 -..... (1) :::::s . .0 0 .->- 0.4 <:n ...... <:n 0.2 0.0 80.0 '-' ..... :::::s 0..0 .6 ..... :::::s o 100.0 '----~---~----' 0.0 5.0 10.0 Nectar volume (f-ll) 60.0 40.0 20.0 0.0 0 5 10 15 20 25 30 Trial Figure 2: Simulations of bee foraging behavior using predictive Hebbian learning. A) Reinforcement neuron output as a function of nectar volume for a fixed concentration of nectar[9, 10]. B) Proportion of visits to blue flowers. Each trial represents approximately 40 flower visits averaged over 5 real bees and exactly 40 flower visits for a single model bee. Trials 1 - 15 for the real and model bees had blue flowers as the constant type, the remaining trials had yellow flowers as constant. At the beginning of each trial, wYand w B were set to 0.5 consistent with evidence that information from past foraging bouts is not used[14]. The real bees were more variable than the model bees - sources of stochasticity such as the two-dimensional feeding ground were not represented. The real bees also had a slight preference for blue flowers [21]. Note the slower drop for A = 0.1 when the flowers are switched. and (ii) there is no provision for allowing a sensory event to predict the future delivery of reinforcement. The latter problem makes equation 1 inconsistent with a substantial volume of data on classical and instrumental conditioning [16]. Adding a postsynaptic factor to equation 1 does not alter these conclusions [17]. This inadequacy suggests that another form of learning rule and a model in which P has a direct input from rt. Assume that the firing rate of P is sensitive only to changes in its input over time and habituates to constant or slowly varying input, like magnocellular ganglion cells in the retina [18]. Under this assumption, the output of P, bt. reflects a temporal derivative of its net input, approximated by: (2) where y is a factor that controls the weighting of near against distant rewards. We take y = 1 for the current discussion. In the presence of the reinforcement, the weights w B and w Yare adjusted according to the simple correlational rule: (3) This permits the weights onto P to act as predictions of the expected reward consequent on landing on a flower and can also be derived in a more general way for the prediction of future values of any scalar quantity [19]. 601 602 Montague, Dayan, and Sejnowski A B . - 100.0 ~ 30.0 '-' Q.) 0... 80.0 ~ - Q.) ~ .~ > 8 C'-l ..... .-.-> 8 60.0 ~ 20.0 ?0 ~ 40.0 8--?lv=2 <r-----(> v = 8 b------i!. V = 30 20.0 C'-l 0 .0 0 .0 2 .0 4.0 6.0 > 10.0 A= 0 . 1 o + A= 0.9 0 .0 0.0 2.0 4.0 6 .0 Mean Mean Figure 3: Tradeoff between the mean and variance of nectar delivery. A) Method of selecting indifference points. The indifference point is taken as the first mean for a given variance (bold v in legend) for which a stochastic trial demonstrates the indifference. This method of calculation tends to bias the indifference points to the left. B) Indifference plot for model and real bees. Each point represents the (mean, variance) pair for which the bee sampled each flower type equally. The circles are for A 0.1 and the pluses are for A 0.9. = = When the bee actually lands on a flower and samples the nectar, R influences the output of P through its fixed connection (Fig. 1). Suppose that just prior to sampling the nectar the bee switched to viewing a blue flower, for example. Then, since T t -l 0, lit would be Tt - x~_1 w~_I. In this way, the term x~_1 w~_1 is a prediction of the value of T t and the difference Tt - x~_1 wt 1 is the error in that prediction. Adjusting the weight w~ according to the correlational rule in equation 3 allows the weight w~, through P's outputs, to report to the rest of the brain the amount of reinforcement Tt expected from blue flowers when they are sensed. = As the model bee flies between flowers, reinforcement from nectar is not present (Tt = 0) and lit is proportional to V t - V t- 1. w B and w Y can again be used as predictions but through modulation of action choice. For example, suppose the learning process in equation 3 sets w Y less than w B? In flight, switching from viewing yellow flowers to viewing blue flowers causes lit to be positive and biases the activity in any action selection units driven by outgoing connections from B. This makes the bee more likely than chance to land on or steer towards blue flowers. This discussion is not offered as an accurate model of action choice, rather, it simply indicates how output from a diffuse system could also be used to influence action choice. The biological assumptions of this neural architecture are explicit: (i) the diffusely projecting neuron changes its firing according to the temporal difference in its inputs; (ii) the output of P is used to adjust its weights upon landing; and (iii) the output otherwise biases the selection of actions by modulating the activity of its target neurons. For the particular case of the bee, both the learning rule described in equation 3 and the biasing of action selection described above can be further simplified for the purposes of a Foraging in an Uncertain Environment Using Predictive Hebbian Learning simple demonstration. As mentioned above, significant learning about a particular flower color may occur only in the 1 - 2 seconds just prior to an encounter [21, 14]. This is tantamount to restricting weight changes to each encounter with the reinforcer which allows only the sensory input just preceding the delivery or non-delivery of r t to drive synaptic plasticity. We therefore make the learning rule punctate, updating the weights on a flower by flower basis. During each encounter with the reinforcer in the environment, P produces a prediction error cSt = rt - V t -l where rt is the actual reward at time t, and the lX~_l last flower color seen by the bee at time t, say blue, causes a prediction V t -l = of future reward rt to be made through the weight w~_l and the input activity l' The weights are then updated using a form of the delta rule[20]: wt xt (4) where A is a time constant and controls the rate of forgetting. In this rule, the weights from the sensory input onto P still mediate a prediction of r; however, the temporal component for choosing how to steer and when to land has been removed. We model the temporal biasing of actions such as steering and landing with a probabilistic algorithm that uses the same weights onto P to choose which flower is actually visited on each trial. At each flower visit, the predictions are used directly to choose an action, according to: e~(WYxY) q(Y) = e~(wBxB) + ell(wYxY) (5) where q(Y) is the probability of choosing a yellow flower. Values of J.L > 0 amplify the difference between the two predictions so that larger values of J.L make it more likely that the larger prediction will result in choice toward the associated flower color. In the limit as J.L ---+ 00 this approaches a winner-take-all rule. In the simulations, J.L was varied from 2.8 to 6.0 and comparable results obtained. Changing J.L alters the magnitude of the weights that develop onto neuron P since different values of J.L enforce different degrees of competition between the predictions. To apply the model to the foraging experiment, it is necessary to specify how the amount of nectar in a particular flower gets reported to P. We assume that the reinforcement neuron R delivers its signal rt as a saturating function of nectar volume (Fig. 2A). Harder and Real [10] suggest just this sort of decelerating function of nectar volume and justify it on biomechanical grounds. Fig. 2B shows the behavior of model bees compared with that of real bees [9] in the experiment testing the extent to which they prefer a constant reward to a variable reward of the same long-term mean. Further details are presented in the figure legend. The behavior of the model matched the observed data for A = 0.9 suggesting that the real bee utilizes information over a small time window for controlling its foraging [9]. At this value of A, the average proportion of visits to blue was 85% for the real bees and 83% for the model bees. The constant and variable flower types were switched at trial 15 and both bees switched flower preference in 1 - 3 subsequent visits. The average proportion of visits to blue changed to 23% and 20%, respectively, for the real and model bee. Part of the reason for the real bees' apparent preference for blue may come from inherent biases. Honey bees, for instance, are known to learn about shorter wavelengths more quickly than others [21]. In our model, A is a measure of the length of time over which an observation exerts an influence on flower selection rather than being a measure of the bee's time horizon in terms of the mean rate of energy intake [9, 10]. 603 604 Montague, Dayan, and Sejnowski Real bees can be induced to forage equally on the constant and variable flower types if the mean reward from the variable type is made sufficiently large, as in Fig. 3B. For a given variance, the mean reward was increased until the bees appeared indifferent between the flowers. In this experiment, the constant flower type contained 0.5J.11 of nectar. The data for the real bee is shown as points connected by a solid line in order to make clear the envelope of the real data. The indifference points for A = 0.1 (circles) and A = 0.9 (pluses) also demonstrate that a higher value of A is again better at reproducing the bee's behavior. The model captured both the functional relationship and the spread of the real data. The diffuse neurotransmitter system reports prediction errors to control learning and bias the selection of actions. Distributing such a signal diffusely throughout a large set of target structures permits this prediction error to influence learning generally as a factor in a correlational or Hebbian rule. The same signal, in its second role, biases activity in an action selection system to favor rewarding behavior. In the model, construction of the prediction error only requires convergent input from sensory representations onto a neuron or neurons whose output is a temporal derivative of its input. The output of this neuron can also be used as a secondary reinforcer to associate other sensory stimuli with the predicted reward. We have shown how this relatively simple predictive learning system closely simulates the behavior of bumble bees in a foraging task. Acknowledgements This work was supported by the Howard Hughes Medical Institute, the National Institute of Mental Health, the UK Science and Engineering Research Council, and computational resources from the San Diego Supercomputer Center. We would like to thank Patricia Churchland, Anthony Dayan, Alexandre Pouget, David Raizen, Steven Quartz and Richard Zemel for their helpful comments and criticisms. References [1] Konorksi, 1. Conditioned reflexes and neuron organization, (Cambridge, England, Cambridge University Press, 1948). [2] Quartz, SR, Dayan, P, Montague, PR, Sejnowski, Tl. (1992) Society for Neurosciences Abstracts. 18, 210. [3] Montague, PR, Dayan, P, Nowlan, Sl, Pouget, A, Sejnowski, Tl. (1993) In Advances in Neural Information Processing Systems 5, Sl Hanson, ID Cowan, CL Giles, editors, (San Mateo CA: Morgan Kaufmann), pp. 969-976. [4] Morrison, IH and Magistretti, Pl. Trends in Neurosciences, 6, 146 (1983). [5] Wise, RA. Behavioral and Brain Sciences, 5,39 (1982). [6] Cole, Bl and Robbins, TW. Neuropsychopharmacology, 7, 129 (1992). [7] Schultz, W. Seminars in the Neurosciences, 4, 129 (1992). [8] Hammer, M, thesis, FU Berlin (1991). [9] Real, LA. Science, 253, pp 980 (1991). Foraging in an Uncertain Environment Using Predictive Hebbian Learning [10] Real, LA. Ecology, 62,20 (1981); Harder, LD and Real, LA. Ecology, 68(4), 1104 (1987); Real, LA, Ellner, S, Harder, LD. Ecology, 71(4), 1625 (1990). [11] Berry, DA and Fristedt, B. Bandit Problems: Sequential Allocation of Experiments. (London, England: Chapman and Hall, 1985). [12] Gould, JL. In Foraging Behavior, AC Kamil, JR Krebs and HR Pulliam, editors, (New York, NY: Plenum, 1987), p 479. [13] Krebs, JR, Kacelnik, A, Taylor, P. Nature" 275, 27 (1978), Houston, A, Kacelnik, A, McNamara, J. In Functional Ontogeny, D McFarland, editor, (London: Pitman, 1982). [14] Menzel, R and Erber, 1. Scientific American, 239(1), 102. [15] Carew, TJ, Hawkins RD, Abrams 1W and Kandel ER. Journal of Neuroscience, 4(5), 1217 (1984). [16] Mackintosh, NJ. Conditioning and Associative Learning. (Oxford, England: Oxford University Press, 1983). Sutton, RS and Barto, AG. Psychological Review, 882, 135 (1981). Sutton, RS and Barto, AG. Proceedings of the Ninth Annual Conference of the Cognitive Science Society. Seattle, WA (1987). [17] Reeke, GN, Jr and Sporns, O. Annual Review of Neuroscience. 16,597 (1993). [18] Dowling, JE. The Retina. (Cambridge, MA: Harvard University Press, 1987). [19] The overall algorithm is a temporal difference (TO) learning rule and is related to an algorithm Samuel devised for teaching a checker playing program, Samuel, AL. IBM Journal of Research and Development, 3,211 (1959). It was first suggested in its present form in Sutton, RS, thesis, University of Massachusetts (1984); Sutton and Barto [1] showed how it could be used for classical conditioning; Barto, AG, Sutton, RS and Anderson, CWo IEEE Transactions on Systems, Man, and Cybernetics, 13, 834 (1983) used a variant of it in a form of instrumental conditioning task; Barto, AG, Sutton, RS, Watkins, CJCH, Technical Report 89-95, (Computer and Information Science, University of Massachusetts, Amherst, MA, 1989); Barto, AG, Bradtke, SJ, Singh, SP, Technical Report 91-57, (Computer and Information Science, University of Massachusetts, Amherst, MA, 1991) showed its relationship to dynamic programming, an engineering method of optimal control. [20] Rescorla, RA and Wagner, AR. In Classical Conditioning II: Current Research and Theory, AH Black and WF Prokasy, editors, (New York, NY: Appleton-CenturyCrofts, 1972), p 64; Widrow, B and Stearns, SD. Adaptive Signal Processing, (Englewood Cliffs, NJ: Prentice-Hall, 1985). [21] Menzel, R, Erber, J and Masuhr, J. In Experimental Analysis of Insect Behavior, LB Browne, editor, (Berlin, Germany: Springer-Verlag, 1974), p 195. 605
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Use of Bad Training Data For Better Predictions Tal Grossman Complex Systems Group (T13) and CNLS LANL, MS B213 Los Alamos N.M. 87545 Alan Lapedes Complex Systems Group (T13) LANL, MS B213 Los Alamos N.M. 87545 and The Santa Fe Institute, Santa Fe, New Mexico Abstract We show how randomly scrambling the output classes of various fractions of the training data may be used to improve predictive accuracy of a classification algorithm. We present a method for calculating the "noise sensitivity signature" of a learning algorithm which is based on scrambling the output classes. This signature can be used to indicate a good match between the complexity of the classifier and the complexity of the data. Use of noise sensitivity signatures is distinctly different from other schemes to avoid overtraining, such as cross-validation, which uses only part of the training data, or various penalty functions, which are not data-adaptive. Noise sensitivity signature methods use all of the training data and are manifestly data-adaptive and non-parametric. They are well suited for situations with limited training data. 1 INTRODUCTION A major problem of pattern recognition and classification algorithms that learn from a training set of examples is to select the complexity of the model to be trained. How is it possible to avoid an overparameterized algorithm from "memorizing" the training data? The dangers inherent in over-parameterization are typically 343 344 Grossman and Lapedes illustrated by analogy to the simple numerical problem of fitting a curve to data points drawn from a simple function. If the fit is with a high degree polynomial then prediction on new points, i.e. generalization, can be quite bad, although the training set accuracy is quite good. The wild oscillations in the fitted function, needed to acheive high training set accuracy, cause poor predictions for new data. When using neural networks, this problem has two basic aspects. One is how to choose the optimal architecture (e.g. the number oflayers and units in a feed forward net), the other is to know when to stop training. Of course, these two aspects are related: Training a large net to the highest training set accuracy usually causes overfitting. However, when training is stopped at the "correct" point (where train-set accuracy is lower), large nets are generalizing as good as, or even better than, small networks (as observed e.g. in Weigend 1994). This prompts serious consideration of methods to avoid overparameterization. Various methods to select network architecture or to decide when to stop training have been suggested. These include: (1) use of a penalty function (c.!. Weigend et al. 1991). (2) use of cross validation (Stone 1974). (3) minimum description length methods (Rissanen 1989), or (4) "pruning" methods (e.g. Le Cun et al. 1990). Although all these methods are effective to various degrees, they all also suffer some form of non-optimality: (1) various forms of penalty function have been proposed and results differ between them. Typically, using a penalty function is generally preferable to not using one. However, it is not at all clear that there exists one "correct" penalty function and hence any given penalty function is usually not optimal. (2) Cross validation holds back part of the training data as a separate valdiation set. It therefore works best in the situation where use of smaller training sets, and use of relatively small validation sets, still allows close approximation to the optimal classifier. This is not likely to be the case in a significantly data-limited regime. (3) MDL methods may be viewed as a form of penalty function and are subject to the issues in point (1) above. (4) pruning methods require training a large net, which can be time consuming, and then "de-tuning" the large network using penalty functions. The issues expressed in point(l) above apply. We present a new method to avoid overfitting that uses "noisy" training data where some of the output classes for a fraction of the data are scrambled. We describe how to obtain the "noise sensitivity signature" of a classifier (with its learning algorithm), which is based on the scrambled data. This new methodology is not computationally cheap, but neither is it prohibitively expensive. It can provide an alternative to methods (1 )-( 4) above that (i) can test any complexity parameter of any classifying algorithm (i.e. the architecture, the stopping criterion etc.) (ii) uses all the training data, and (iii) is data adaptive, in contrast to fixed penalty/pruning functions. 2 A DETAILED DESCRIPTION OF THE METHOD Define a "Learning Algorithm" L(S, P), as any procedure which produces a classifier f(~), which is a (discrete) function over a given input space X (~ E X). The input of the learning algorithm L is a Training Set S and a set of parameters P. The training set S is a set of M examples, each example is a pair of an input instance ~i Use of Bad Training Data for Better Predictions = and the desired output Yi associated with it (i l..M). We assume that the desired output represents an unknown "target function" f* which we try to approximate, i.e. Yi f*(:ni). The set of parameters P includes all the relevant parameters of the specific learning algorithm and architecture used. When using a feed-forward neural network classifier this set usually includes the size of the network, its connectivity pattern, the distribution of the initial weights and the learning parameters (e.g. the learning rate and momentum term size in usual back-propagation). Some of these parameters determine the "complexity" of the classifiers produced by the learning algorithm, or the set of functions f that are realizable by L. The number of hidden units in a two layer perceptron, for example, determines the number of free parameters of the model (the weights) that the learning algorithm will fit to tbe data (the training set). In general, the output of L can be any classifier: a neural network, a decision tree, boolean formula etc. The classifier f can also depend on some random choices, like the initial choice of weights in many network lenrning algortihm. It can also depend, like in pruning algorithms on any "stopping crite~'ion" which may also influence its complexity. = 2.1 PRODUCING ff The classification task is given as the training set S. The first step of our method is to prepare a set of noisy, or partially scrambled realizations of S. We define S: as one partiCUlar such realization, in which for fraction P of the M examples tne desired ou.tpu.t values (classes) are changed. In this work we consider only binary classification tasks, which means that we choose pM examples at random for which = 1 - Yi? For each noise level p and set of n such realizations S; (f.L l..n) is prepared, each with a different random choice of scrambled examples. Practically, 8-10 noise levels in the range p = 0.0 - 0.4, with n "" 4 - 10 realizations of for each level are enough. The second step is to apply the learning algorithm to each of the different to produce the corresponding classifiers, which are the boolean functions ff L(S;, P). = yf S: = 2.2 S: NOISE SENSITIVITY MEASURES Using the set of ff, three quantities are measured for each noise level p: ? The average performance on the original (noise free) training set S. We define the average noise-free error as 1 Ej(p) = Mn n M I: L If;(:ni) I/o Yil (1) i And the noise-free pereformance, or score as Qj(p) = 1 - Ej(p). ? In a similar way, we define the average error on the noisy training-sets S:: 1 En(P) = Mn n M I/o \ L ~ If;(:ni) - yfl f; (2) Note that the error of each classifier is measured on the training set by which it was created. The noisy-set performance is then defined as Qn(P) = 1 - En(P)? 345 346 Grossman and Lapedes ? The average functional distance between classifiers. The functional distance between two classifiers, or boolean functions, d(J, g) is the probability of I(z) #- g(z). For a uniform input distribution, it is simply the fraction of the input space X for which I(z) #- g(z). In order to approximate this quantity, we can use another set of examples. In contrast with validation set methods, these examples need not be classified, i.e. we only need a set of inputs z, without the target outputs y, so we can usually use an "artificial" set of m random inputs. Although, in principle at least, these z instances should be taken from the same distribution as the original task examples. The approximated distance between two classifiers is therefore 1 m d(J, g) = m ~ I/(Zi) - g(zi)1 , We then calculate the average distance, D(p), between the n classifiers obtained for each noise level p: (3) It n D(p) = n(n 2_ 1) L d(J:, I;) (4) IJ.>V 3 NOISE SENSITIVITY BEHAVIOR Observing the three quantities Q,(p), Qn(P) and D(p), can we distinguish between an overparametrized classifier and a "well tuned" one? Can we use this data in order to choose the best generalizer out of several candidates? Or to find the right point to stop the learning algorithm L in order to achieve better generalization? Lets estimate how the plots of Q" Qn and D vs. p, which we call the "Noise Sensitivity Signature" (NSS) of the algorithm L, look like in several different scenarios. 3.1 D(p) The average functional distance between realizations, D(p), measures the sensitivity of the classifier (or the model) to noise. An over-parametrized architecture is expected to be very sensitive to noise since it is capable of changing its classification boundary to learn the scrambled examples. Different realizations of the noisy training set will therefore result in different classifiers. On the other hand, an under-parametrized classifier should be stable against at least a small amount of noise. Its classification boundary will not change when a few examples change their class. Note, however, that if the training set is not very "dense", an under-parametrized architecture can still yield different classifiers, even when trained on a noise free training set (e.g. when using BP with different initial weights). Therefore, it may be possible to observe some "background variance", i.e. non-zero average distance for small (down to zero) noise levels for under-parametrized classifiers. Similar considerations apply for the two quantities Q,(p) and Qn(P). When the training set is large enough, an under-parametrized classifier cannot "follow" all Use of Bad Training Data for Better Predictions the changed examples. Therefore most of them just add to the training error. Nevertheless, its performance on the noise free training set, Qf(P), will not change much. As a result, when increasing the noise level P from zero (where Qf(P) Qn(P)), we should find Qf (p) > Qn(P) up to a high noise level - where the decision boundary has changed enough so the error on the original training set becomes larg '~r than the error on the actual noisy set. The more parameters our model has, the sooner (i.e. smaller p) it will switch to the Qf(P) < Qn(P) state. If a network starts with Qf(P) Qn(P) and then exhibits a behavior with Qf(P) < Qn(P), this is a signature of overparameterization. = = 3.3 THE TRAINING SET In addition to the set of parameters P and the learning algorithm itself, there is another important factor in the learning process. This is the training set S. The dependence on M, the number of examples is evident. When M is not large enough, the training set does not provide enough data in order to capture the full complexity of the original task. In other words, there are not enough constraints - to approximate well the target function f*. Therefore overfitting will occur for smaller classifier complexity and the optimal network will be smaller. 4 EXPERIMENTAL RESULTS To demonstrate the possible outcomes of the method described above in several cases, we have performed the following experiment . A random neural network "teacher" was created as the target function f*. This is a two layer percept ron with 20 inputs, 5 hidden units and one output. A set of M random binary input examples was created and the teacher network was used to classify the training examples. Namely, a desired output Yi was obtained by recording the output of the teacher net when input :l:i was presented to the network, and the output was calculated by applying the usual feed forward dynamincs: (5) This binary threshold update rule is applied to each of the network's units j, i.e the hidden and the output units. The weights of the teacher were chosen from a uniform distribution [-1,1]. No threshold (bias weights) were used. St The set of scrambled training sets was produced as explained above and different network architectures were trained on it to produce the set of classifiers jl1o. The learning networks are standard two layer networks of sigmoid units, trained by conjugate gradient back-propagation, using a quadratic error function with tolerance, i.e. if the difference between an output of the net and the desired 0 or 1 target is smaller than the tolerance (taken as 0.2 in our experiment) it does not contribute to the error. The tolerance is, of course, another parameter which may influences the complexity of the resulting network, however, in this experiment it is fixed. The quantities Qf(P), Qn(P) and D(p) were calculated for networks with 1,2,3, .. 7 hidden units (1 hidden unit means just a perceptron, trained with the same error function). In our terminology, the architecture specification is part of the set of 347 348 Grossman and Lapedes hidden units 1 2 3 4 5 6 7 400 0.81 0.81 0.78 0.77 0.74 0.74 0.71 0.04 0.04 0.02 0.03 ( 0.03 ( 0.01 ( 0.01 Training Set Size 1024 700 0.81 0.001) 0.82 0.84 0.05 0.86 0.82 0.06 0.90 0.81 0.05 0.90 0.87 0.79 0.03 0.89 0.80 0.05 0.76 0.02 0.85 0. 0011 0.04 0.03 0.03 0.04 0.03 0.05 Table 1: The prediction rate for 1..7 hidden units, averaged on 4 nets that were trained on the noisefree training set of size M = 400,700,1024 (the standard deviation is given in parenthesis). parameters P that is input to the learning algorithm L. The goal is to identify the "correct" architecture according to the behavior of QJ, Qn and D with p. = The experiment was done with three training set sizes M 400, 700 and 1024. Another set of m = 1000 random examples was used to calculate D. As an "external control" this set was also classified by the teacher network and was used to measure the generalization (or prediciton rate) of the different learning networks. The prediction rate, for the networks trained on the noise free training set (averaged over 4 networks, trained with different random initial weights) is given for the 1 to 7 hidden unit architectures, for the 3 sizes of M, in Table 1. The noise sensitivity signatures of three architectures trained with M = 400 (1,2,3 hidden units) and with M = 1024 examples (2,4,6 units) are shown in Figure 1. Compare these (representative) results with the expected behaviour of the NSS as described qualitatively in the previous section. 5 CONCLUSIONS and DISCUSSION We have introduced a method of testing a learning model (with its learning algorithm) against a learning task given as a finite set of examples, by producing and characterizing its "noise sensitivity signature". Relying on the experimental results presented here, and similar results obtained with other (less artificial) learning tasks and algorithms, we suggest some guidelines for using the NSS for model tuning: 1. If D(p) approaches zero with p -+ 0, or if QJ(p) is significantly better than Qn(P) for noise levels up to 0.3 or more - the network/model complexity can be safely inreased. 2. If QJ(p) < Qn(P) already for small levels of noise (say 0.2 or less) - reduce the network complexity. 3. In more delicate situations: a "good" model will have at least a trace of concavity in D(p). A clearly convex D(p) probably indicates an over-parametrized model. In a "good" model choice, Qn (p) will follow Q J (p) closely, from below, up to a high noise level. Use of Bad Training Data for Better Predictions 04 ? 02 oL-__L -_ _ o oos ~ 01 __ ~ __ 015 ~ 02 _ _-L__ 0 25 ~ __ 03 ~ __ 035 ~ __ I I 01 015 ~ 04 005 045 02 025 400 IlX~. 2 hrd:len UIlIIs 03 035 04 1024 exa~9S 4 hidden units 08 - ...?... .?.-.--....-......-,----~ ........., 06 -" 04 '1 t ~ I 02 045 oL-__L -_ _ o 005 01 ~ __ ~ 015 __ ~ 02 _ _-L__ 025 ~ __ 03 ~ __ 0 35 ~ __ 04 ~ oos 04 ~' 01 015 0, 025 03 035 04 045 08 O~ ? 04 04 I 02 OL_--~--~--~--~---L--~--~--~--~ o 005 01 015 02 025 03 OJ5 04 04~ ? i I ?0L---O~OS---0~1---0~15--~ 02--~02~5---0~ 3 ---0~35---0~4--~045 Figure 1: The signatures (Q and D vs. p) of networks with 1,2,3 hidden units (top to bottom) trained on M=400 examples (left), and networks with 2,4,6 hidden units trained on M=1024 examples. The (noisy) training set score Qn(P) is plotted with full line, the noise free score Qf(P) with dotted line, and the average functional distance D(p) with error bars (representing the standard deviation of the distance). 349 350 Grossman and Lapedes 5.1 Advanatages of the Method 1. The method uses all the data for training. Therefore we can extract all the available information. Unlike validation set methods - there is no need to spare part of the examples for testing (note that classified examples are not needed for the functional distance estimation). This may be an important advantage when the data is limited. As the experiment presented here shows: taking 300 examples out of the 1024 given, may result in choosing a smaller network that will give inferior prediction (see table 1). Using "delete-1 cross-validation" will minimize this problem but will need at least as much computation as the NSS calculation in order to achieve reliable prediction estimation. 2. It is an "external" method, i.e. independent of the classifier and the training algorithm. It can be used with neural nets, decision trees, boolean circuits etc. It can evaluate different classifiers, algorithms or stopping/prunning criteria. 5.2 Disadvantages 1. Computationally expensive (but not prohibitively so). In principle one can use just a few noise levels to reduce computational cost. 2. Presently requires a subjective decision in order to identify the signature, unlike cross-validation methods which produce one number. In some situations, the noise sensitivity signature gives no clear distinction between similar architectures. In these cases, however, there is almost no difference in their generalization rate. Acknowledgements We thank David Wolpert, Michael Perrone and Jerom Friedman for many iluminating discussions and usefull comments. We also thank Rob Farber for his invaluable help with software and for his assistance with the Connection Machine. Referencess Le Cun Y., Denker J.S. and Solla S. (1990), in Adv. in NIPS 2, Touretzky D.S. ed. (Morgan Kaufmann 1990) 598. Rissanen J. (1989), Stochastic Complezity in Statistical Inquiry (World Scientific 1989). Stone M. (1974), J.Roy.Statist.Soc.Ser.B 36 (1974) 11I. Wiegend A.S. (1994), in the Proc. of the 1993 Connectionist Models Summer School, edited by M.C. Mozer, P. Smolensky, D.S. Touretzky, J.L. Elman and A.S. Weigend, pp. 335-342 (Erlbaum Associates, Hillsdale NJ, 1994). Wiegend A.S., Rummelhart D. and Huberman B.A. (1991), in Adv. in NIPS 3, Lippmann et al. eds. (Morgen Kaufmann 1991) 875.
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Constructive Learning Using Internal Representation Conflicts Laurens R. Leerink and Marwan A. J abri Systems Engineering & Design Automation Laboratory Department of Electrical Engineering The University of Sydney Sydney, NSW 2006, Australia Abstract We present an algorithm for the training of feedforward and recurrent neural networks. It detects internal representation conflicts and uses these conflicts in a constructive manner to add new neurons to the network . The advantages are twofold: (1) starting with a small network neurons are only allocated when required; (2) by detecting and resolving internal conflicts at an early stage learning time is reduced. Empirical results on two real-world problems substantiate the faster learning speed; when applied to the training of a recurrent network on a well researched sequence recognition task (the Reber grammar), training times are significantly less than previously reported . 1 Introduction Selecting the optimal network architecture for a specific application is a nontrivial task, and several algorithms have been proposed to automate this process. The first class of network adaptation algorithms start out with a redundant architecture and proceed by pruning away seemingly unimportant weights (Sietsma and Dow, 1988; Le Cun et aI, 1990). A second class of algorithms starts off with a sparse architecture and grows the network to the complexity required by the problem. Several algorithms have been proposed for growing feedforward networks. The upstart algorithm of Frean (1990) and the cascade-correlation algorithm of Fahlman (1990) are examples of this approach. 279 280 Leerink and Jabri The cascade correlation algorithm has also been extended to recurrent networks (Fahlman, 1991), and has been shown to produce good results. The recurrent cascade-correlation (RCC) algorithm adds a fully connected layer to the network after every step, in the process attempting to correlate the output of the additional layer with the error. In contrast, our proposed algorithm uses the statistical properties of the weight adjustments produced during batch learning to add additional units. The RCC algorithm will be used as a baseline against which the performance of our method will be compared. In a recent paper, Chen et al (1993) presented an algorithm which adds one recurrent neuron with small weights every N epochs. However, no significant improvement in training speed was reported over training the corresponding fixed size network, and the algorithm will not be further analyzed. To the authors knowledge little work besides the two mentioned papers have applied constructive algorithms to recurrent networks. In the majority of our empirical studies we have used partially recurrent neural networks, and in this paper we will focus our attention on such networks. The motivation for the development of this algorithm partly stemmed from the long training times experienced with the problems of phoneme and word recognition from continuous speech. However, the algorithm is directly applicable to feedforward networks. The same criteria and method used to add recurrent neurons to a recurrent network can be used for adding neurons to any hidden layer of a feed-forward network. 2 Architecture In a standard feedforward network, the outputs only depend on the current inputs, the network architecture and the weights in the network. However, because of the temporal nature of several applications, in particular speech recognition, it might be necessary for the network to have a short term memory. Partially recurrent networks, often referred to as Jordan (1989) or Elman (1990) networks, are well suited to these problems. The architecture examined in this paper is based on the work done by Robinson and Fallside (1991) who have applied their recurrent error propagation network to continuous speech recognition. A common feature of all partially recurrent networks is that there is a special set of neurons called context units which receive feedback signals from a previous time step. Let the values of the context units at time t be represented by C(t). During normal operation the input vector at time t are applied to the input nodes I(t), and during the feedforward calculation values are produced at both the output nodes O(t + 1) and the context units C(t + 1). The values of the context units are then copied back to the input layer for use as input in the following time step. Several training algorithms exist for training partially recurrent neural networks, but for tasks with large training sets the back-propagation through time (Werbos, 1990) is often used. This method is computationally efficient and does not use any approximations in following the gradient. For an application where the time information is spread over T. input patterns, the algorithm simply duplicates the network T times - which results in a feedforward network that can be trained by a variation of the standard backpropagation algorithm. Constructive Learning Using Internal Representation Conflicts 3 The Algorithm For partially recurrent networks consisting of input, output and context neurons, the following assertions can be made: ? The role of the context units in the network is to extract and store all relevant prior information from the sequence pertaining to the classification problem. ? For weights entering context units the weight update values accumulated during batch learning will eventually determine what context information is stored in the unit (the sum of the weight update values is larger than the initial random weights). ? We assume that initially the number of context units in the network is insufficient to implement this extraction and storage of information (we start training with a small network). Then, at different moments in time during the recognition of long temporal sequences, a context unit could be required to preserve several different contexts. ? These conflicts are manifested as distinct peaks in the distribution of the weight update values during the epoch. All but the last fact follows directly from the network architecture and requires no further elaboration. The peaks in the distribution of the weight update values are a result of the training algorithm attempting to adjust the value of the context units in order to provide a context value that will resolve short-term memory requirements. After the algorithm had been developed, it was discovered that this aspect of the weight update values had been used in the past by Wynne-Jones (1992) and in the Meiosis Networks of Hanson (1990). The method of Wynne-Jones (1992) in particular is very closely related; in this case principal component analysis of the weight updates and the Hessian matrix is used to detect oscillating nodes in fully trained feed-forward networks. This aspect of backpropagation training is fully discussed in Wynne-Jones (1992), to which reader is referred for further details. The above assertions lead to the proposed training algorithm, which states that if there are distinct maxima in the distribution of weight update values of the weights entering a context unit, then this is an indication that the batch learning algorithm requires this context unit for the storage of more than one context. If this conflict can be resolved, the network can effectively store all the contexts required, leading to a reduction in training time and potentially an increase III performance . The training algorithm is given below (the mode of the distribution is defined as the number of distinct maxima): For all context units { Set N = modality ot the distribution ot weight update values; It N > 1 then { Add N-1 new context units to the network which are identical (in terms ot weighted inputs) to the current context unit. 281 282 Leerink and Jabri Adjust each of these N context units (including the original) by the weight update value determined by each maxima (the average value of the mode). Adjust all weights leaving these N context units so that the addition of the new units do not affect any subsequent layers (division by N). This ensures that the network retains all previously acquired knowledge. } } The main problem in the implementation of the above algorithm is the automatic detection of significant maxima in the distribution of weight updates. A standard statistical approach for the determination of the modality (the number of maxima) of a distribution of noisy data is to fit a curve of a certain predetermined order to the data. The maxima (and minima) are then found by setting the derivative to zero. This method was found to be unsuitable mainly because after curve fitting it was difficult to determine the significance of the detected peaks. It was decided that only instances of bi-modality and tri-modality were to be iden- tified, each corresponding to the addition of one or two context units. The following heuristic was constructed: ? Calculate the mean and standard deviation of the weight update values. ? Obtain the maximum value in the distribution. ? If there are any peaks larger than 60% of the maxima outside one standard deviation of the mean, regard this as significant. This heuristic provided adequate identification of the modalities. The distribution was divided into three areas using the mean ? the standard deviation as boundaries. Depending on the number of maxima detected, the average within each area is used to adjust the weights. 4 Discussion According to our algorithm it follows that if at least one weight entering a context unit has a multi-modal distribution, then that context unit is duplicated. In the case where multi-modality is detected in more than one weight, context units were added according to the highest modality. Although this algorithm increases the computational load during training, the standard deviation of the weight updates rapidly decreases as the network converges. The narrowing of the distribution makes it more difficult to determine the modality. In practice it was only found useful to apply the algorithm during the initial training epochs, typically during the first 20. During simulations in which strong multi-modalities were detected in certain nodes, frequently the multi-modalities would persist in the newly created nodes. In this Constructive Learning Using Internal Representation Conflicts manner a strong bi-modality would cause one node to split into two, the two nodes to grow to four, etc. This behaviour was prevented by disabling the splitting of a node for a variable number of epochs after a multi-modality had been detected. Disabling this behaviour for two epochs provided good results. 5 Simulation Results The algorithm was evaluated empirically on two different tasks: ? Phoneme recognition from continuous multi-speaker speech usmg the TIMIT (Garofolo, 1988) acoustic-phonetic database . ? Sequence Recognition: Learning a finite-state grammar from examples of valid sequences. For the phoneme recognition task the algorithm decreased training times by a factor of 2 to 10, depending on the size of the network and the size of the training set. The sequence recognition task has been studied by other researchers in the past, notably Fahlman (1991). Fahlman compared the performance of the recurrent cascade correlation (RCC) network with that of previous results by Cleeremans et al (1989) who used an Elman (1990) network. It was concluded that the RCC algorithm provides the same or better performance than the Elman network with less training cycles on a smaller training set. Our simulations have shown that the recurrent error propagation network of Robinson and Fallside (1991), when trained with our constructive algorithm and a learning rate adaptation heuristic, can provide the same performance as the RCC architecture in 40% fewer training epochs using a training set of the same size. The resulting network has the same number of weights as the minimum size RCC network which correctly solves this problem. Constructive algorithms are often criticized in terms of efficiency, i.e. "Is the increase in learning speed due to the algorithm or just the additional degrees of freedom resulting from the added neuron and associated weights?". To address this question several simulations were conducted on the speech recognition task, comparing the performance and learning time of a network with N fixed context units to that of a network with small number of context units and growing a network with a maximum of N context units. Results indicate that the constructive algorithm consistently trains faster, even though both networks often have the same final performance. 6 Summary In this paper the statistical properties of the weight update values obtained during the training of a simple recurrent network using back-propagation through time have been examined. An algorithm has been presented for using these properties to detect internal representation conflicts during training and to use this information to add recurrent units to the network. Simulation results show that the algorithm decreases training time compared to networks which have a fixed number of context units. The algorithm has not been applied to feedforward networks, but can III principle be added to all training algorithms that operate in batch mode. 283 284 Leerink and Jabri References Chen, D., Giles, C.L., Sun, G.Z., Chen, H.H., Lee, Y.C., Goudreau, M.W. (1993). Constructive Learning of Recurrent Neural Networks. In 1993 IEEE International Conference on Neural Networks, 111:1196-1201. Piscataway, NJ: IEEE Press. Cleeremans, A., Servan-Schreiber, D., and McClelland, J.L. (1989). Finite State Automata and Simple Recurrent Networks. Neural Computation 1:372-381. Elman, J .L. (1990). Finding Structure in Time. Cognitive Science 14:179-21l. Fahlman, S.E. and C. Lebiere (1990). The Cascade Correlation Learning Architecture. In D. S. Touretzky (ed.), Advances in Neural Information Processing Systems 2, 524-532. San Mateo, CA: Morgan Kaufmann. Fahlman, S.E. (1991). The Recurrent Cascade Correlation Architecture. Technical Report CMU-CS-91-100. School of Computer Science, Carnegie Mellon University. Frean, M. (1990). The Upstart Algorithm: A Method for Constructing and Training Feedforward Neural Networks. Neural Computation 2:198-209. Garofolo, J.S. (1988). Getting Started with the DARPA TIMIT CD-ROM: an Acoustic Phonetic Continuous Speech Database. National Institute of Standards and Technology (NIST), Gaithersburgh, Maryland. Hanson, S.J. (1990). Meiosis Networks. In D. S. Touretzky (ed.), Advances in Neural Information Processing Systems 2, 533-541, San Mateo, CA: Morgan Kaufmann. Jordan, M.1. (1989). Serial Order: A Parallel, Distributed Processing Approach. In Advances in Connectionist Theory: Speech, eds. J.L. Elman and D.E. Rumelhart. Hillsdale: Erlbaum. Le Cun, Y., J .S. Denker, and S.A Solla (1990). Optimal Brain Damage. In D. S. Touretzky (ed.), Advances in Neural Information Processing Systems 2, 598-605. San Mateo, CA: Morgan Kaufmann. Reber, A.S. (1967). Implicit learning of artificial grammars. Journal of Verbal Learning and Verbal Behavior 5:855-863. Robinson, A.J. and Fallside F. (1991). An error propagation network speech recognition system. Computer Speech and Language 5:259-274. Sietsma, J. and RJ.F Dow (1988). Neural Net Pruning-\Vhy and How. In IEEE International Conference on Neural Networks. (San Diego 1988), 1:325-333. Wynne-Jones, M. (1992) Node Splitting: A Constructive Algorithm for FeedForward Neural Networks. In D. S. Touretzky (ed.), Advances in Neural Information Processing Systems 4, 1072-1079. San Mateo, CA: Morgan Kaufmann. Werbos, P.J. (1990). Backpropagation Through Time, How It Works and How to Do It. Proceedings of the IEEE, 78:1550-1560.
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Learning Curves: Asymptotic Values and Rate of Convergence Corinna Cortes, L. D. Jackel, Sara A. Solla, Vladimir Vapnik, and John S. Denker AT&T Bell Laboratories Holmdel, NJ 07733 Abstract Training classifiers on large databases is computationally demanding. It is desirable to develop efficient procedures for a reliable prediction of a classifier's suitability for implementing a given task, so that resources can be assigned to the most promising candidates or freed for exploring new classifier candidates. We propose such a practical and principled predictive method. Practical because it avoids the costly procedure of training poor classifiers on the whole training set, and principled because of its theoretical foundation. The effectiveness of the proposed procedure is demonstrated for both single- and multi-layer networks. 1 Introd uction Training classifiers on large data.bases is computationally demanding. It is desirable to develop efficient procedures for a reliable prediction of a classifier's suitability for implementing a given task. Here we describe such a practical and principled predictive method. The procedure applies to real-life situations with huge databases and limited resources. Classifier selection poses a problem because training requires resources especially CPU-cycles, and because there is a combinatorical explosion of classifier candidates. Training just a few of the many possible classifiers on the full database might take up all the available resources, and finding a classifier particular suitable for the task requires a search strategy. 327 328 Cortes, Jackel, SoBa, Vapnik, and Denker test error -,~.......----------------- ........... ~~~~,~----------- 10,000 30,000 50,000 training set size Figure 1: Test errors as a function of the size of the training set for three different classifiers. A classifier choice based on best test error at training set size 10 = 10,000 will result in an inferior classifier choice if the full database contains more than 15,000 patterns. The naive solution to the resource dilemma is to reduce the size of the database to 1 10 , so that it is feasible to train all classifier candidates. The performance of the classifiers is estimated from an independently chosen test set after training. This makes up one point for each classifier in a plot of the test error as a function of the size 1 of the training set. The naive search strategy is to keep the best classifier at 10 , under the assumption that the relative ordering of the classifiers is unchanged when the test error is extrapolated from the reduced size 10 to the full database size. Such an assumption is questionable and could easily result in an inferior classifier choice as illustrated in Fig. 1. = Our predictive method also utilizes extrapolation from medium sizes to large sizes of the training set, but it is based on several data points obtained at various sizes of the training set in the intermediate size regime where the computational cost of training is low. A change in the representation of the measured data points is used to gain confidence in t.he extrapolation. 2 A Predictive Method Our predictive method is based on a simple modeling of the learning curves of a classifier. By learning curves we mean the expectation value of the test and training errors as a function of the training set size I. The expectat.ion value is taken over all the possible ways of choosing a training set of a given size. A typical example of learning curves is shown in Fig. 2. The test error is always larger than the training error, but asymptotically t.hey reach a common value, a. We model the errors for large siz?'s of the training s?'t as power-law decays to the Learning Curves: Asymptotic Values and Rate of Convergence error a?? ..?. ???? ?.? ~~- ?~.~?~.~.~.~.~.~?~Trr.P.~ _------------training error training set size, I Figure 2: Learning curves for a typical classifier. For all finite values of the training set size I the test error is larger t han the training error. Asymptotically they converge to the same value a. asymptotic error value, a: b ['test = a + ler c and ['train = a - 1i3 where I is the size of the training set, and a and f3 are positive exponents. From these two expressions the sum and difference is formed: ['test + ['train ['test - ['train If we make the assumption 0'= b c 2a + ler - 1i3 (1) b ler (2) c + 1i3 f3 and b = c the equation (1) and (2) reduce to ['test + [train [test - [train 2a 2b ler (3) These expressions suggest a log-log representation of the sum and difference of the test and training errors as a function of the the training set size I, resulting in two straight lines for large sizes of the training set: a constant "-' log(2a) for the sum, and a straight line with slope -a and intersection log(b + c) "-' log(2b) for the difference, as shown in Fig. 3. = The assumption of equal amplitudes b c of the two convergent terms is a convenient but not crucial simplification of the model. \Ve find experimentally that for classifiers where this approximation does not hold, the difference ['test - ['train still forms a straight line in a log-log-plot. From this line the sum s b+c can be extracted as the intersection, as indicated on Fig. 3. The weighted sum = 329 330 Cortes, Jackel, Solla, Vapnik, and Denker log(error) log(b+c) log(2b) .. .. .... .. log(?tesl +?train) -log(2a) log(trainlng set size, l) Figure 3: Within the validity of the power-law modeling of the test and training errors, the sum and difference between the two errors as a function of training set size give two straight lines in a log-log-plot: a constant"" log(2a) for the sum, and a straight line with slope -0' and intersection log(b + c) ,..., log(2b) for the difference. c . Etest + b . Etrain will give a constant for an appropriate choice of band c, with b + c s. = The validity of the above model was tested on numerous boolean classifiers with linear decision surfaces. In all experiments we found good agreement with the model and we were able to extract reliable estimates of the three parameters needed to model the learning curves: the asymptotic value a, and the power 0', and amplitude b of the power-law decay. An example is shown in Fig. 4, (left). The considered task is separation of handwritten digits 0-4 from the digits 5-9. This problem is unrealizable with the given database and classifier. The simple modeling of the test and training errors of equation (3) is only assumed to hold for large sizes of the training set, but it appears to be valid already at intermediate sizes, as seen in Fig. 4, (left). The predictive model suggested here is based on this observation, and it can be illustrated from Fig. 4, (left): with test and training errors measured for I ~ 2560 it is possible to estimate the two straight lines, extract approximate values for the three parameters which characterize the learning curves, and use the resulting power-laws to extrapolate the learning curves to the full size of the database. The algorithm for the predictive method is therefore as follows: 1. Measure Etest and Etrain for intermediate sizes of the training set. 2. Plot 10g(Etest 3. Estimate the two straight lines and extract the asymptotic value a the amplitude b, and the exponent 0'. 4. Extrapolate the learning curves to the full size of the database. + Etrain) and 10g(Etest - Etrain) versus log I. Learning Curves: Asymptotic Values and Rate of Convergence log (error) error 0.25 -1 + - points used for prediction ???? predicted learning curves 0.2 0.15 -2 0.1 -3r---------~~----o 1 2 log (1/ 256) I 256 2560 25600 ? I 0.05 I ...... ~. -4-??...-.am .?. _?? A.~-?-A? -~ training error 0+------------2560 7680 15360 training set size, I Figure 4: Left: Test of the model for a 256 dimensional boolean classifier trained by minimizing a mean squared error. The sum and difference of the test and training errors are shown as a function of the normalized training set size in a log-log-plot (base 10). Each point is the mean with standard deviation for ten different choices of a training set of the given size. The straight line with a 1, corresponding to a 1/1 decay, is shown as a reference. Right: Prediction of learning curves for a 256 dimensional boolean classifier trained by minimizing a mean squared error. Measured errors for training set size of I ~ 2560 are used to fit the two proposed straight lines in a log-log plot. The three parameters which characterize the learning curves are extracted and used for extrapolation. = A prediction for a boolean classifier with linear decision surface is illustrated in Fig. 4, (right). The prediction is excellent for this type of classifiers because the sum and difference of the test and training errors converge quickly to two straight lines in a log-log-plot. Unfortunately, linear decision surfaces are in general not adequate for many real-life applications. The usefulness of the predictive method proposed here can be judged from its performance on real-life sophisticated multi-layer networks. Fig. 5 demonstrates the validity of the model even for a fully-connected multi-layer network operating in its non-linear regime to implement an unrealizable digit recognition task. Already for intermediate sizes of the training set the sum and difference between the test and training errors are again observed to follow straight lines. The predictive method was finally tested on sparsely connected multi-layer networks. Fig. 6, (left), shows the test and training errors for two networks trained for the recognition of handwritten digits. The network termed "old" is commonly referred to as LeNet [LCBD+90]. The network termed "new" is a modification of LeN et with additional feature maps. The full size of the database is 60,000 patterns, 331 332 Cortes, Jackel, SoHa, Vapnik, and Denker log (error) E lest + E train -1 -2 -3 log ( 11100) , 1000 10000 . 100000 I Figure 5: Test of the model for a fully-connected 100-10-10 network. The sum and the difference of the test and training error are shown as a function of the normalized training set size in a log-log-plot. Each point is the mean with standard deviation for 20 different choices of a training set of the given size. a 50-50 % mixture of the NIST 1 training and test sets. After training on 12,000 patterns it becomes obvious that the new network will outperform the old network when trained on the full database, but we wish to quantify the expected improvement. If our predictive method gives a good quantitative estimate of the new network's test error at 60,000 patterns, we can decide whether three weeks of training should be devoted to the new architecture. A log-log-plot based on the three datapoints from the new network result in values for the three parameters that determine the power-laws used to extrapolate the learning curves of the new network to the full size of the database, as illustrated in Fig. 6, (right). The predicted test error at the full size of the database I = 60,000 is less than half of the test error for the old architecture, which strongly suggest performing the training on the full database. The result of the full training is also indicated in Fig. 6, (right). The good agreement between predicted and measured values illustrates the power and applicability of the predictive method proposed here to real-life applications. 3 Theoretical Foundation The proposed predictive method based on power-law modeling of the learning curves is not just heuristic. A fair amount of theoretical work has been done within the framework of statistical mechanics [SST92] to compute learning curves for simple classifiers implementing unrealizable rules with non-zero asymptotic error value. A key assumption of this theoretical approach is that the number of weights in the network is large. 1 National Institute for Standards and Technology, Special Database 3. Learning Curves: Asymptotic Values and Rate of Convergence error error 0.03 ? . . ? : old network - : new network 0.02 : new network - - - : new network predicted 0.02 .................. a . ...... C; 0.01 0.01 , o 20 30 40 50 60 training set size, 111000 --.- ..... ---------- - - 't:) ... -- ..------------n --- o ~~---------------------. 20 30 40 50 60 training set size, 111000 Figure 6: Left: Test (circles) and training ( triangles) errors for two networks. The "old" network is what commonly is referred to as LeNet. The network termed "new" is a modification of LeNet with additional feature maps. The full size of the database is 60,000 patterns, and it is a 50-50 % mixture of the NIST training and test set. Right: Test (circles) and training (triangles) errors for the new network. The figure shows the predicted values of the learning curves in the range 20,000 - 60,000 training patterns for the "new" network, and the actually measured values at 60,000 patterns. The statistical mechanical calculations support a symmetric power-law decay of the expected test and training errors to their common asymptotic value. The powerlaws describe the behavior in the large I regime, with an exponent a which falls in the interval 1/2 ~ a ~ 1. Our numerical observations and modeling of the test and training errors are in agreement with these theoretical predictions. We have, moreover, observed a correlation between the exponent a and the asymptotic error value a not accounted for by any of the theoretical models considered so far. Fig. 7 shows a plot of the exponent a versus the asymptotic error a evaluated for three different tasks. It appears from this data that the more difficult the target rule, the smaller the exponent, or the slower the learning. A larger generalization error for intermediate training set sizes is in such cases due to the combined effect of a larger asymptotic error and a slower convergence. Numerical results for classifiers of both smaller and larger input dimension support the explanation that this correlation might be due to the finite size of the input dimension of the classifier (here 256). 4 Summary In this paper we propose a practical and principled method for predicting the suitability of classifiers trained on large databases. Such a procedure may eliminate 333 334 Cortes, Jackel, Solla, Vapnik, and Denker exponent, (X. ? 0.9 ~I 0.8 0.7 0.6 0. 0 0.1 0.2 asymptotic error, a Figure 1: Exponent of extracted power-law decay as a function of asymptotic error for three different tasks. The un-realizability of the tasks, as characterized by the asymptotic error a, can be changed by tuning the strength of a weight-decay constraint on the norm of the weights of the classifier. poor classifiers at an early stage of the training procedure and allow for a more intelligent use of computational resources. The method is based on a simple modeling of the expected training and test errors, expected to be valid for large sizes of the training set. In this model both error measures are assumed to follow power-law decays to their common asymptotic error value, with the same exponent and amplitude characterizing the power-law convergence. The validity of the model has been tested on classifiers with linear as well as nonlinear decision surfaces. The free parameters of the model are extracted from data points obtained at medium sizes of the training set, and an extrapolation gives good estimates of the test error at large size of the training set. Our numerical studies of learning curves have revealed a correlation between the exponent of the power-law decay and the asymptotic error rate. This correlation is not accounted for by any existing theoretical models, and is the subject of continuing research. References [LCBD+90] Y. Le Cun, B. Boser, J. S. Denker, D. Henderson, R. E. Howard, W. Hubbard, and L. D. Jackel. Handwritten digit recognition with a back-propagation network. In Advances in Neural Information Processing Systems, volume 2, pages 396-404. Morgan Kaufman, 1990. [SST92] H. S. Seung, H. Sompolinsky, and N. Tishby. Statistical mechanics of learning from examples. Physical Review A, 45:6056-6091, 1992.
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Asynchronous Dynamics of Continuous Time Neural Networks Xin Wang Computer Science Department University of California at Los Angeles Los Angeles, CA 90024 Qingnan Li Department of Mathematics University of Southern California Los Angeles, CA 90089-1113 Edward K. Blum Department of Mathematics University of Southern California Los Angeles, CA 90089-1113 ABSTRACT Motivated by mathematical modeling, analog implementation and distributed simulation of neural networks, we present a definition of asynchronous dynamics of general CT dynamical systems defined by ordinary differential equations, based on notions of local times and communication times. We provide some preliminary results on globally asymptotical convergence of asynchronous dynamics for contractive and monotone CT dynamical systems. When applying the results to neural networks, we obtain some conditions that ensure additive-type neural networks to be asynchronizable. 1 INTRODUCTION Neural networks are massively distributed computing systems. A major issue in parallel and distributed computation is synchronization versus asynchronization (Bertsekas and Tsitsiklis, 1989). To fix our idea, we consider a much studied additive-type model (Cohen and Grossberg, 1983; Hopfield, 1984; Hirsch, 1989) of a continuoustime (CT) neural network of n neurons, whose dynamics is governed by n Xi(t) = -ajXi(t) + L WijO'j (Jlj Xj (t)) + Ii, i = 1,2, ... , n, (1) j=1 493 494 Wang. Li. and Blum with neuron states Xi (t) at time t, constant decay rates ai, external inputs h, gains neuron activation functions Uj and synaptic connection weights Wij. Simulation and implementation of idealized models of neural networks such as (1) on centralized computers not only limit the size of networks, but more importantly preclude exploiting the inherent massive parallelism in network computations. A truly faithful analog implementation or simulation of neural networks defined by (1) over a distributed network requires that neurons follow a global clock t, communicate timed states Xj(t) to all others instantaneously and synchronize global dynamics precisely all the time (e.g., the same Xj(t) should be used in evolution of all Xi(t) at time t). Clearly, hardware and software realities make it very hard and sometimes impossible to fulfill these requirements; any mechanism used to enforce such synchronization may have an important effect on performance of the network. Moreover, absolutely insisting on synchronization contradicts the biological manifestation of inherent asynchrony caused by delays in nerve signal propagation, variability of neuron parameters such as refractory periods and adaptive neuron gains. On the other hand, introduction of asynchrony may change network dynamics, for example, from convergent to oscillatory. Therefore, validity of asynchronous dynamics of neural networks must be assessed in order to ensure desirable dynamics in a distributed environment. JJj, Motivated by the above issues, we study asynchronous dynamics of general CT dynamical systems with neural networks in particular. Asynchronous dynamics has been thoroughly studied in the context of iterative maps or discrete-time (DT) dynamical systems; see, e.g., (Bertsekas and Tsitsiklis, 1989) and references therein. Among other results are that P-contractive maps on Rn (Baudet, 1978) and continuous maps on partially ordered sets (Wang and Parker, 1992) are asynchronizable, i.e., any asynchronous iterations of these maps will converge to the fixed points under synchronous (or parallel) iterations. The synchronization issue has also been addressed in the context of neural networks. In fact, the celebrated DT Hopfield model (Hopfield, 1982) adopts a special kind of asynchronous dynamics: only one randomly chosen neuron is allowed to update its state at each iterative step. The issue is also studied in (Barhen and Gulati, 1989) for CT neural networks. The approach there is, however, to convert the additive model (1) into a DT version through the Euler discretization and then to apply the existing result for contractive mappings in (Baudet, 1978) to ensure the discretized system to be asynchronizable. Overall, studies for asynchronous dynamics of CT dynamical systems are still lacking; there are even no reasonable definitions for what it means, at least to our knowledge. In this paper, we continue our studies on relationships between CT and DT dynamical systems and neural networks (Wang and Blum, 1992; Wang, Blum and Li, 1993) and concentrate on their asynchronous dynamics. We first extend a concept of asynchronous dynamics of DT systems to CT systems, by identifying the distinction between synchronous and asynchronous dynamics as (i) presence or absence of a common global clock used to synchronize the dynamics of the different neurons and (ii) exclusion or inclusion of delay times in communication between neurons, and present some preliminary results for asynchronous dynamics of contractive and monotone CT systems. Asynchronous Dynamics of Continuous Time Neural Networks 2 MATHEMATICAL FORMULATION To be general, we consider a CT dynamical system defined by an n-dimensional system of ordinary differential equations, (2) where Ii : Rn --+ R are continuously differentiable and x(t) E Rn for all t in R+ (the set of all nonnegative real numbers). In contrast to the asynchronous dynamics given below, dynamics of this system will be called synchronous. An asynchronous scheme consists of two families of functions Ci : R+ --+ R+ and rj : R+ --+ R+, i, j 1, ... , n, satisfying the following constraints: for any t > 0, = (i) Initiation: Ci(t) ~ 0 and rJ(t) ~ 0; (ii) Non-starvation: Ci'S are differentiable and l\(t) (iii) Liveness: limt_oo Ci(t) = 00 > 0; and limt_oo rJ(t) = 00; (iv) Accessibility: rj(t) ~ Cj(t). Given an asynchronous scheme ({cd, {rJ}), the associated asynchronous dynamics of the system (2) is the solution of the following parametrized system: (3) We shall call this system an asynchronized system of the original one (2). The functions Ci(t) should be viewed as respective "local" times (or clocks) of components i, as compared to the "global" time (or clock) t. As each component i evolves its state according to its local time Ci(t), no shared global time t is needed explicitly; t only occurs implicitly. The functions rj(t) should be considered as time instants at which corresponding values Xi of components j are used by component i; hence the differences (ci(t) - rj(t? ~ 0 can be interprated as delay times in communication between the components j and i. Constraint (i) reflects the fact that we are interested in the system dynamics after some global time instance, say 0; constraint (ii) states that the functions Ci are monotone increasing and hence the local times evolve only forward; constraint (iii) characterizes the live ness property of the components and communication channels between components; and, finally, constraint (iv) precludes the possibility that component i accesses states x j ahead of the local times Cj(t) of components j which have not yet been generated. Notice that, under the assumption on monotonicity of Ci(t), the inverses C;l(t) exist and the asynchronized system (3) can be transformed into (4) by letting Yi(t) = Xi( Ci(t? and y} (t) = Xj (rJ(t? = Yj (c;l (rJ(t? for i, j = 1,2, ... , n. The vector form of (4) can be given by iJ = C F[Y] f (5) 495 496 Wang, Li, and Blum where yet) = [Yl (t), "" Yn(t)]T, C' = diag(dcl (t)/dt, "" dcn(t)/dt) , F y [Y;] and = _ F[Y] = /1 cYi(t) , yHt), "" y~(t)) hcYr(t), y~(t), "" y~(t)) [ , fn (i/'l (t), y~(t), "" = [/1, "" fn]T, 1 ' y~(t)) Notice that the complication in the way F applies to Y ~imply means ,t hat every component i will use possibly different "global" states [Yi(t) , y2(t) , "" y~(t)] , This peculiarity makes the equation (5) fit into none ofthe categories of general functional 1, "., n are equal, differential equations (Hale, 1977), However, if rJ(t) for i all the components will use a same global state y [yHt) , y~(t), .. " y~(t)] and the asynchronized system (5) assumes a form of retarded functional differential equations, = = (6) iJ = c' FcY), We shall call this case uniformly-delayed, which will be a main consideration in the next section where we discuss asynchronizable systems, The system (5) includes some special cases. In a no communication delay situation, rj(t) Cj(t) for all i and the system (5) reduces to iJ C' F(y), This includes the simplest case where the local times Ci(t) are taken as constant-time scalings cit of the global time t; specially, when all Ci(t) = t the system goes back to the original one (2), If, on the other hand, all the local time~ are identi~al to the global time t and the communication times take the form of rJ(t) t - OJ(t) one obtains a most general delayed system = = = (7) where the state Yj(t) of component j may have different delay times O)(t) for different other components i. Finally, we should point out that the above definitions of asynchronous schemes and dynamics are analogues of their counterparts for DT dynamical systems (Bertsekas and Tsitsiklis, 1989; Blum, 1990), Usually, an asynchronous scheme for a DT system defined by a map f : X -+ X, where X Xl X X 2 X '" X X n , consists of a 1, ,.. , n} of subset~ of discrete times (N) at which components family {Ti ~ N I i i update their states and a family {rJ : N -+ N Ii 1,2"", n} of communication times, Asynchronous dynamics (or chaotic iteration, relaxation) is then given by = X.(t I + 1) = { = = fi(xl(rt(t)), "', xn(r~(t))) Xi(t) if t E ~ otherwise. Notice that the sets Ti can be interpreted as local times of components i . In fact, one can define local time functions Ci : N -+ N as Ci(O) = 0 and Ci(t + 1) = Ci(t) + 1 if t E 11 and Ci(t) otherwise. The asynchronous dynamics can then be defined by Xi(t + 1) - Xi(t) = (Ci(t + 1) - ci(t))(fi(xl(rf(t)), ... ,Xn(r~(t))) - Xi(t)), which is analogous to the definition given in (4). Asynchronous Dynamics of Continuous Time Neural Networks 3 ASYNCHRONIZABLE SYSTEMS In general, we consider a CT dynamical system as asynchronizable ifits synchronous dynamics (limit sets and their asymptotic stability) persists for some set of asynchronous schemes. In many cases, asynchronous dynamics of an arbitrary CT system will be different from its synchronous dynamics, especially when delay times in communication are present. An example can be given for the network (1) with symmetric matrix W. It is well-known that (synchronous) dynamics of such networks is quasi-convergent, namely, all trajectories approach a set of fixed points (Hirsch, 1989). But when delay times are taken into consideration, the networks may have sustained oscillation when the delays exceed some threshold (Marcus and Westervelt, 1989). A more careful analysis on oscillation induced by delays is given in (Wu, 1993) for the networks with symmetric circulant weight matrices. Here, we focus on asynchronizable systems. We consider CT dynamical systems on Rn of the following general form Ax(t) = -x(t) + F(x(t? (8) where x(t) ERn, A = diag(a1,a2, ... ,an ) with aj > 0 and F = [Ji] E G 1(Rn). It is easy to see that a point x E Rn is a fixed point of (8) if and only if x is a fixed point of the map F. Without loss of generality, we assume that 0 is a fixed point of the map F. According to (5), the asynchronized version of (8) for an arbitrary asynchronous scheme ({ cd, {rj}) is Ay where jj 3.1 = G'( -y + F[Y]), (9) = (jjtct), jj~(t), ... , y~(t)]. Contractive Systems Our first effort attempts to obtain a result similar to the one for P-contractive maps in (Baudet, 1978). We call the system (8) strongly P-contractive if there is a symmetric and invertible matrix S such that IS- 1 F(Sx)1 < Ixl for all x E Rn and IS- 1 F(Sx)1 Ixl only for x 0; here Ixl denotes the vector with components Ixil and < is component-wise. = = Theorem 1 If the system (8) is strongly P-contractive, then it is asynchronizable Ci(t) for all for any asynchronous schemes without self time delays (i. e., rf (t) i=1,2, ... ,n). = Proof. It is not hard to see that synchronous dynamics of a strongly P-contractive system is globally convergent to the fixed point O. Now, consider the transformation z = A- 1 y and the system for z Ai =G'( -z + S-1 F[SZ]) =G'( -z + G[Z]), = where G[Z] S-1 FS[Z]. This system has the same type of dynamics as (9). Define a function E : R+ x Rn --+ R+ by E(t) = z T (t)Az(t)j2, whose derivative with respect to t is E = z TG' (-z + G(Z? < IIG'II (-z Tz + IzlT IG(Z)!) < IIG'II( -z Tz + IzlT Izl) ::; O. 497 498 Wang, Li, and Blum Hence E is an energy function and the asynchronous dynamics converges to the fixed point O. 0 Our second result is for asynchronous dynamics of contractive systems with no communication delay. The system (8) is called contractive if there is a real constant o ~ a < 1 such that IIF(x) - F(y)1I ~ for all x, y E Rn; here II . II allz - yll denotes the usual Euclidean norm on Rn. Theorem 2 If the system (8) is contractive, then it is asynchronizable for asynchronous schemes with no communication delay. Proof. The synchronous dynamics of contractive systems is known to be globally convergent to a unique fixed point (Kelly, 1990). For an asynchronous scheme with no communication delay, the system (8) is simplified to Ali G' ( -y + F(y?. We consider again the function E y T Ay/2, which is an energy function as shown below. = = E = YT G' (-y + F(y? ~ IIG/II( -lIyll2 + lIyIlIlF(y)ID < O. o Therefore, the asynchronous dynamics converges to the fixed point O. For the additive-type neural networks (1), we have Corollary 1 Let the network (1) have neuron activation functions type with 0 < uHz) ~ SUPzER ui(z) = 1. If it satisfies the condition Ui of sigmoidal (10) = where M diag(J-ll, ... , J-ln), then it is asynchronizable for any asynchronous schemes with no communication delay. Proof. The condition (10) ensures the map F(x) contractive. = A-I Wu(M x) + A- 1 I to be 0 Notice that the condition (10) is equivalent to many existing ones on globally asymptotical stability based on various norms of matrix W, especially the contraction condition given in (Kelly, 1990) and some very recent ones in (Matsuoka, 1992). The condition (10) is also related very closely to the condition in (Barhen and Gulati, 1989) for asynchronous dynamics of a discretized version of (1) and the condition in (Marcus and Westervelt, 1989) for the networks with delay. We should emphasize that the results in Theorem 2 and Corollary 1 do not directly follow from the result in (Kelly, 1990); this is because local times Ci(t) are allowed to be much more general functions than linear ones Ci t. 3.2 Monotone Systems A binary relation ~ on Rn is called a partial order if it satisfies that, for all x, y, z E x ~ x; (ii) x ~ y and y ~ x imply x = y; and (iii) x -< y and y -< z imply x -< z. For a partial order ~ on Rn , define ~ on Rn by x ~ y iff x < y and Xi # Yi for all i 1, .. " n. A map F : Rn -I- Rn is monotone if x ~ y implies Rn, (i) = Asynchronous Dynamics of Continuous Time Neural Networks F(x) -< F(y). A CT dynamical system of the form (2) is monotone if Xl ~ X2 implies the trajectories Xl(t), X2(t) with Xl(O) = Xl and X2(0) = X2 satisfy Xl(t) ::5 X2(t) for all t ~ 0 (Hirsch, 1988). Theorem 3 If the map F in (8) is monotone, then the system (8) is asynchronizable for uniformly-delayed asynchronous schemes, provided that all orbits x(t) have compact orbit closure and there is a to > 0 with x(to) ~ x(O) or x(to) ~ x(O). Proof. This is an application of a Henry's theorem (see Hirsch, 1988) that implies that the asynchronized system (9) in the no communication delay situation is monotone and Hirsch's theorem (Hirsch, 1988) that guarantees the asymptotic convergence of monotone systems to fixed points. 0 Corollary 2 If the additive-type neural network (1) with sigmoidal activation functions is cooperative (i.e., Wij > 0 for i # j (Hirsch, 1988 and 1989)), then it is asynchronizable for uniformly-delayed asynchronous schemes, provided that there is a to > 0 with x(to) ~ x(O) or x(to) ~ x(O). Proof. According to (Hirsch, 1988), cooperative systems are monotone. As the network has only bounded dynamics, the result follows from the above theorem. 0 4 CONCLUSION By incorporating the concepts of local times and communication times, we have provided a mathematical formulation of asynchronous dynamics of continuous-time dynamical systems. Asynchronized systems in the most general form haven't been studied in theories of dynamical systems and functional differential equations. For contractive and monotone systems, we have shown that for some asynchronous schemes, the systems are asynchronizable, namely, their asynchronizations preserve convergent dynamics of the original (synchronous) systems. When applying these results to the additive-type neural networks, we have obtained some special conditions for the networks to be asynchronizable. We are currently investigating more general results for asynchronizable dynamical systems, with a main interest in oscillatory dynamics. References G. M. Baudet (1978). Asynchronous iterative methods for multiprocessors. Journal of the Association for Computing Machinery, 25:226-244. J. Barhen and S. Gulati (1989). "Chaotic relaxation" in concurrently asynchronous neurodynamics. In Proceedings of International Conference on Neural Networks, volume I, pages 619-626, San Diego, California. Bertsekas and Tsitsiklis (1989). Parallel and Distributed Computation: Numerical Methods. Englewood Cliffs, NJ: Prentice Hall. E. K. Blum (1990). Mathematical aspects of outer-product asynchronous contentaddressable memories. Biological Cybernetics, 62:337-348, 1990. 499 500 Wang, Li, and Blum E. K. Blum and X. Wang (1992). Stability of fixed-points and periodic orbits, and bifurcations in analog neural networks. Neural Networks, 5:577-587. J. Hale (1977). Theory of Functional Differential Equations. New York: SpringerVerlag. M. W. Hirsch (1988). Stability and convergence in strongly monotone dynamical systems. J. reine angew. Math., 383:1-53. M. W. Hirsch (1989). Convergent activation dynamics in continuous time networks. Neural Networks, 2:331-349. J. Hopfield (1982). Neural networks and physical systems with emergent computational abilities. Proc. Nat. Acad. Sci. USA, 79:2554-2558. J. Hopfield (1984) . Neurons with graded response have collective computational properties like those of two-state neurons. Proc. Nat. Acad. Sci. USA, 81:30883092. D. G. Kelly (1990). Stability in contractive nonlinear neural networks. IEEE Trans. Biomedi. Eng., 37:231-242. Q. Li (1993). Mathematical and Numerical Analysis of Biological Neural Networks. Unpublished Ph.D. Thesis, Mathematics Department, University of Southern California. C. M. Marcus and R. M. Westervelt (1989). Stability of analog neural networks with delay. Physical Review A, 39(1):347-359. K. Matsuoka (1992) . Stability conditions for nonlinear continuous neural networks with asymmetric connection weights. Neural Networks, 5:495-500 . J. M. Ortega and W. C. Rheinboldt (1970). Iterative solution of nonlinear equations in several variables. New York: Academic Press. X. Wang, E. K. Blum, and Q. Li (1993). Consistency on Local Dynamics and Bifurcation of Continuous-Time Dynamical Systems and Their Discretizations. To appear in the AMS proceedings of Symposia in Applied Mathematics, Mathematics of Computation 1943 - 1993, Vancouver, BC, August, 1993, edited by W. Gautschi. X. Wang and E. K. Blum (1992). Discrete-time versus continuous-time neural networks. Computer and System Sciences, 49:1-17 . X. Wang and D. S. Parker (1992). Computing least fixed points by asynchronous iterations and random iterations. Technical Report CSD-920025, Computer Science Department, UCLA. J .-H. Wu (1993). Delay-Induced Discrete Waves of Large Amplitudes in Neural Networks with Circulant Connection Matrices. Preprint, Department of Mathematics and Statistics, York University.
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? Probabilistic Anomaly Detection In Dynamic Systems Padhraic Smyth Jet Propulsion Laboratory 238-420 California Institute of Technology 4800 Oak Grove Drive Pasadena, CA 91109 Abstract This paper describes probabilistic methods for novelty detection when using pattern recognition methods for fault monitoring of dynamic systems. The problem of novelty detection is particularly acute when prior knowledge and training data only allow one to construct an incomplete classification model. Allowance must be made in model design so that the classifier will be robust to data generated by classes not included in the training phase. For diagnosis applications one practical approach is to construct both an input density model and a discriminative class model. Using Bayes' rule and prior estimates of the relative likelihood of data of known and unknown origin the resulting classification equations are straightforward. The paper describes the application of this method in the context of hidden Markov models for online fault monitoring of large ground antennas for spacecraft tracking, with particular application to the detection of transient behaviour of unknown origin. 1 PROBLEM BACKGROUND Conventional control-theoretic models for fault detection typically rely on an accurate model ofthe plant being monitored (Patton, Frank, and Clark, 1989). However, in practice it common that no such model exists for complex non-linear systems. The large ground antennas used by JPL's Deep Space Network (DSN) to track 825 826 Smyth Jet Prcpllslon Laboratory Mission Control Figure 1: Block diagram of typical Deep Space Network downlink planetary spacecraft fall into this category. Quite detailed analytical models exist for the electromechanical pointing systems. However, these models are primarily used for determining gross system characteristics such as resonant frequencies; they are known to be a poor fit for fault detection purposes. We have previously described the application of adaptive pattern recognition methods to the problem of online health monitoring of DSN antennas (Smyth and Mellstrom, 1992; Smyth, in press). Rapid detection and identification of failures in the electromechanical antenna pointing systems is highly desirable in order to minimize antenna downtime and thus minimise telemetry data loss when communicating with remote spacecraft (see Figure 1). Fault detection based on manual monitoring of the various antenna sensors is neither reliable or cost-effective. The pattern-recognition monitoring system operates as follows. Sensor data such as motor current, position encoder, tachometer voltages, and so forth are synchronously sampled at 50Hz by a data acquisition system. The data are blocked off into disjoint windows (200 samples are used in practice) and various features (such as estimated autoregressive coefficients) are extracted; let the feature vector be fl. The features are fed into a classification model (every 4 seconds) which in turn provides posterior probability estimates of the m possible states of the system given the estimated features from that window, p(wdfl). WI corresponds to normal conditions, the other Wi'S, 1 ~ i ~ m, correspond to known fault conditions. Finally, since the system has "memory" in the sense that it is more likely to remain in the current state than to change states, the posterior probabilities need to be correlated over time. This is achieved by a standard first-order hidden Markov Probabilistic Anomaly Detection in Dynamic Systems model (HMM) which models the temporal state dependence. The hidden aspect of the model reflects the fact that while the features are directly observable, the underlying system states are not, i.e., they are in effect "hidden." Hence, the purpose of the HMM is to provide a model from which the most likely sequence of system states can be inferred given the observed sequence of feature data. The classifier portion of the model is trained using simulated hard ware faults. The feed-forward neural network has been the model of choice for this application because of its discrimination ability, its posterior probability estimation properties (Richard and Lippmann, 1992; Miller, Goodman and Smyth, 1993) and its relatively simple implementation in software. It should be noted that unlike typical speech recognition HMM applications, the transition probabilities are not estimated from data but are designed into the system based on prior knowledge of the system mean time between failure (MTBF) and other specific knowledge of the system configuration (Smyth, in press). 2 LIMITATIONS OF THE DISCRIMINATIVE MODEL The model described above assumes that there are m known mutually exclusive and exhaustive states (or "classes") of the system, WI, ... ,Wm . The mutually exclusive assumption is reasonable in many applications where multiple simultaneous failures are highly unlikely. However, the exhaustive assumption is somewhat impractical. In particular, for fault detection in a complex system such as a large antenna, there are thousands of possible fault conditions which might occur. The probability of occurrence of any single condition is very small, but nonetheless there is a significant probability that at least one of these conditions will occur over some finite time. While the common faults can be directly modelled it is not practical to assign model states to all the other minor faults which might occur. As discussed in (Smyth and Mellstrom, 1992; Smyth 1994) a discriminative model directly models P(Wi I~), the posterior probabilities of the classes given the feature data, and assumes that the classes WI, . . . ,W m are exhaustive. On the other hand, a generative model directly models the probability density function of the input data conditioned on each class, p(~IWi)' and then indirectly determines posterior class probabilities by application of Bayes' rule. Examples of generative classifiers include parametric models such as Gaussian classifiers and memory-based methods such as kernel density estimators. Generative models are by nature well suited to novelty detection whereas discriminative models have no built-in mechanism for detecting data which are different to that on which the model was trained. However, there is a trade-off; because generative models typically are doing more modelling than just searching for a decision boundary, they can be less efficient (than discriminant methods) in their use of the data. For example, generative models typically scale poorly with input dimensionality for fixed training sample size. 3 HYBRID MODELS A relatively simple and practical approach to the novelty detection problem is to use both a generative and discriminative classifier (an idea originally suggested to the author by R. P. Lippmann). An extra "m+ lth" state is added to the model to 827 828 Smyth cover "all other possible states" not accounted for by the known m states. In this framework, the posterior estimates of the discriminative classifier are conditioned on the event that the data come from one of the m known classes . Let the symbol w{1 ,.. .,m} denote the event that the true system state is one of the known states, let Wm+l be the unknown state, and let p(wm+1I~) be the posterior probability that the system is in an unknown state given the data. Hence, one can estimate the posterior probability of individual known states as (1) where Pd(wd~,w{1,,, . ,m}) is the posterior probability estimate of state i as provided by a discriminative model, i.e., given that the system is in one of the known states. The calculation of p(wm+ll~) can be obtained via the usual application of Bayes' rule if P(~lwm+d, p(wm+d, and P(~IW{l, ,, . ,m}) are known: ( I(}) - P Wm+l - - P(~lwm+dp(wm+d P(I ~ wm+dp(wm+d + P(~Iw{1, ...,m}) ""m' L...Ji p(Wi) (2) Specifying the prior density P(~lwm+d, the distribution of the features conditioned on the occurrence of the unknown state, can be problematic. In practice we have used non-informative Bayesian priors for P(~lwm+d over a bounded space of feature values (details are available in a technical report (Smyth and Mellstrom, 1993)) , although the choosing of a prior density for data of unknown origin is basically ill-posed. The stronger the constraints which can be placed on the features the narrower the resulting prior density and the better the ability of the overall model to detect novelty. If we only have very weak prior information, this will translate into a weaker criterion for accepting points which belong to the unknown category. The term P(W m+l) (in Equation (2)) must be chosen based on the designer's prior belief of how often the system will be in an unknown state - a practical choice is that the system is at least as likely to be in an unknown failure state as any of the known failure states. The P(~IW{l, ,, .,m}) term in Equation (2) is provided directly by the generative model. Typically this can be a mixture of Gaussian component densities or a kernel density estimate over all of the training data (ignoring class labels) . In practice, for simplicity of implementation we use a simple Gaussian mixture model. Furthermore, because of the afore-mentioned scaling problem with input dimensions, only a subset of relatively significant input features are used in the mixture model. A less heuristic approach to this aspect of the problem (with which we have not yet experimented) would be to use a method such as projection pursuit to project the data into a lower dimensional subspace and perform the input density estimation in this space. The main point is that the generative model need not necessarily work in the full dimensional space of the input features. Integration of Equations (1) and (2) into the hidden Markov model scheme is straightforward and is not derived here - the HMM now has an extra state, "unknown." The choice oftransition probabilities between the unknown and other states is once again a matter of design choice. For the antenna application at least, many of the unknown states are believed to be relatively brief transient phenomena which Probabilistic Anomaly Detection in Dynamic Systems last perhaps no longer than a few seconds: hence, the Markov matrix is designed to reflect these beliefs since the expected duration of any state d[wd (in units of sampling intervals) must obey 1 I - PH is the self-transition probability of state d[wd = - - where 4 Pii (3) Wi. EXPERIMENTAL RESULTS For illustrative purposes the experimental results from 2 particular models are compared. Each was applied to monitoring the servo pointing system of a DSN 34m antenna at Goldstone, California. The models were implemented within Lab View data acquisition software running in real-time on a Macintosh II computer at the antenna site. The models had previously been trained off-line on data collected some months earlier. 12 input features were used consisting of estimated autoregressive coefficients and variance terms from each window of 200 samples of multichannel data. For both models a discriminative feedforward neural network model (with 8 hidden units, sigmoidal hidden and output activation functions) was trained (using conjugate-gradient optimization) to discriminate between a normal state and 3 known and commonly occurring fault states (failed tachometer, noisy tachometer, and amplifier short circuit - also known as "compensation loss"). The network output activations were normalised to sum to 1 in order to provide posterior class probability estimates. Model (a) used no HMM and assumed that the 4 known states are exhaustive, i.e., it just used the feedforward network. Model (b) used a HMM with 5 states, where a generative model (a Gaussian mixture model) and a flat prior (with bounds on the feature values) were used to determine the probability of the 5th state (as described by Equations (1) and (2)). The same neural network as in model (a) was used as a discriminator for the other 4 known states. The generative mixture model had 10 components and used only 2 of the 12 input features, the 2 which were judged to be the most sensitive to system change. The parameters of the HMM were designed according to the guidelines described earlier. Known fault states were assumed to be equally likely with 1 hour MTBF's and with 1 hour mean duration. Unknown faults were assumed to have a 20 minute MTBF and a 10 second mean duration. Both HMMs used 5-step backwards smoothing, i.e., the probability estimates at any time n are based on all past data up to time n and future data up to time n + 5 (using a larger number of backward steps was found empirically to produce no effect on the estimates). Figures 2 (a) and (b) show each model's estimates (as a function of time) that the system is in the normal state. The experiment consisted of introducing known hardware faults into the system in a controlled manner after 15 minutes and 45 minutes, each of 15 minutes duration. Model (a) 's estimates are quite noisy and contain a significant number of potential false alarms (highly undesirable in an operational environment). Model (b) is much more stable due to the smoothing effect of the HMM. Nonetheless, we note that between the 8th and 10th minutes, there appear to be some possible false alarms: 829 830 Smyth - - Discriminative model, no HMM .. ' ' I' ~ . . l' Probability of nonnal 0.6 cmditionl 0.4 I 0.2 0 0 l?trom1~mof In 20 taclKmJc1l:r fault ~~~~f nonnal candiuom 40 ~ SO 60 Imrod ctiooof Time minutes) alIIUlCIl&&tim lou fault - - Hybrid model. with HMM , rr0.8 Probability of nonnal 0.6 cmditionl 0.4 0.2 o 0 l~~ctimof In tac:homcliCl' fault 20 30 tim of Rcsum1 nonna1 CCJnditiom ~ 60 SO ctioo of Time minutell) c:om'DCllHlim la-. fault Figure 2: Estimated posterior probability of normal state (a) using no HMM and the exhaustive assumption (normal + 3 fault states), (b) using a HMM with a hybrid model (normal + 3 faults + other state). these data were classified into the unknown state (not shown). On later inspection it was found that large transients (of unknown origin) were in fact present in the original sensor data and that this was what the model had detected, confirming the classification provided by the model. It is worth pointing out that the model without a generative component (whether with or without the HMM) also detected a non-normal state at the same time, but incorrectly classified this state as one of the known fault states (these results are not shown). Also not shown are the results from using a generative model alone, with no discriminative component. While its ability to detect unknown states was similar to the hybrid model, its ability to discriminate between known states was significantly worse than the hybrid model. The hybrid model has been empirically tested on a variety of other conditions where various "known" faults are omitted from the discriminative training step and then Probabilistic Anomaly Detection in Dynamic Systems presented to the model during testing: in all cases, the anomalous unknown state was detected by the model, i.e., classified as a state which the model had not seen before. 5 APPLICATION ISSUES The model described here is currently being integrated into an interactive antenna health monitoring software tool for use by operations personnel at all new DSN antennas. The first such antenna is currently being built at the Goldstone (California) DSN site and is scheduled for delivery to DSN operations in late 1994. Similar antennas, also equipped with fault detectors of the general nature described here, will be constructed at the DSN ground station complexes in Spain and Australia in the 1995-96 time-frame. The ability to detect previously unseen transient behaviour has important practical consequences: as well as being used to warn operators of servo problems in realtime, the model will also be used as a filter to a data logger to record interesting and anomalous servo data on a continuous basis. Hence, potentially novel system characteristics can be recorded for correlation with other antenna-related events (such as maser problems, receiver lock drop during RF feedback tracking, etc.) for later analysis to uncover the true cause of the anomaly. A long-term goal is to develop an algorithm which can automatically analyse the data which have been classified into the unknown state and extract distinct sub-classes which can be added as new explicit states to the HMM monitoring system in a dynamic fashion. Stolcke and Omohundro (1993) have described an algorithm which dynamically creates a state model for HMMs for the case of discrete-valued features. The case of continuous-valued features is considerably more subtle and may not be solvable unless one makes significant prior assumptions regarding the nature of the datagenerating mechanism. 6 CONCLUSION A simple hybrid classifier was proposed for novelty detection within a probabilistic framework . Although presented in the context of hidden Markov models for fault detection, the proposed scheme is perfectly general for generic classification applications. For example, it would seem highly desirable that fielded automated medical diagnosis systems (such as various neural network models which have been proposed in the literature) should always contain a "novelty-detection" component in order that novel data are identified and appropriately classified by the system. The primary weakness of the methodology proposed in this paper is the necessity for prior knowledge in the form of densities for the feature values given the unknown state. The alternative approach is not to explicitly model the the data from the unknown state but to use some form of thresholding on the input densities from the known states (Aitchison, Habbema, and Kay, 1977; Dubuisson and Masson, 1993). However, direct specification of threshold levels is itself problematic. In this sense, the specification of prior densities can be viewed as a method for automatically determining the appropriate thresholds (via Equation (2)). 831 832 Smyth As a final general comment, it is worth noting that online learning systems must use some form of novelty detection. Hence, hybrid generative-discriminative models (a simple form of which has been proposed here) may be a useful framework for modelling online learning. Acknowledgements The author would like to thank Jeff Mellstrom, Paul Scholtz, and Nancy Xiao for assistance in data acquisition and analysis. The research described in this paper was performed at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration and was supported in part by ARPA under grant number NOOOl4-92-J-1860 References R. Patton, P. Frank, and R. Clark (eds.), Fault Diagnosis in Dynamic Systems: Theory and Application, New York, NY: Prentice Hall, 1989. P. Smyth and J. Mellstrom, 'Fault diagnosis of antenna pointing systems using hybrid neural networks and signal processing techniques,' in Advances in Neural Information Processing Systems 4, J. E. Moody, S. J. Hanson, R. P. Lippmann (eds.), San Mateo, CA: Morgan Kaufmann, pp.667-674, 1992. P. Smyth, 'Hidden Markov models for fault detection in dynamic systems,' Pattern Recognition, vo1.27, no.l, in press. M. D. Richard and R. P. Lippmann, 'Neural network classifiers estimate Bayesian a posteriori probabilities,' Neural Computation, 3(4), pp.461-483, 1992. J. Miller, R. Goodman, and P. Smyth, 'On loss functions which minimize to conditional expected values and posterior probabilities,' IEEE Transactions on Information Theory, vo1.39, no.4, pp.1404-1408, July 1993. P. Smyth, 'Probability density estimation and local basis function neural networks,' in Computational Learning Theory and Natural Learning Systems, T. Petsche, M. Kearns, S. Hanson, R. Rivest (eds.), Cambridge, MA: MIT Press, 1994. P. Smyth and J. Mellstrom, 'Failure detection in dynamic systems: model construction without fault training data,' Telecommuncations and Data Acquisition Progress Report, vol. 112, pp.37-49, Jet Propulsion Laboratory, Pasadena, CA, February 15th 1993. A. Stokke and S. Omohundro, 'Hidden Markov model induction by Bayesian merging,' in Advances in Neural Information Processing Systems 5, C. L. Giles, S. J. Hanson and J. D. Cowan (eds.), San Mateo, CA: Morgan Kaufmann, pp.11-18, 1993. J. Aitchison, J. D. F. Habbema, and J. W. Kay, 'A critical comparison of two methods of statistical discrimination,' Applied Statistics, vo1.26, pp.15-25, 1977. B. Dubuisson and M. Masson, 'A statistical decision rule with incomplete knowledge about the classes,' Pattern Recognition, vo1.26 , no.l, pp.155-165, 1993.
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Observability of Neural Network Behavior Max Garzon Fernanda Botelho sarzonmOherme ?. msci.mem.t.edu botelhoflherme ?. msci.mem.t.edu Institute for Intelligent Systems Department of Mathematical Sciences Memphis State University Memphis, TN 38152 U.S.A. Abstract We prove that except possibly for small exceptional sets, discretetime analog neural nets are globally observable, i.e. all their corrupted pseudo-orbits on computer simulations actually reflect the true dynamical behavior of the network. Locally finite discrete (boolean) neural networks are observable without exception. 1 INTRODUCTION We address some aspects of the general problem of implementation and robustness of (mainly recurrent) autonomous discrete-time neural networks with continuous activation (herein referred to as analog networks) and discrete activation (herein, boolean networks). There are three main sources of perturbations from ideal operation in a neural network. First, the network's parameters may have been contaminated with noise from external sources. Second, the network is being implemented in optics or electronics (digital or analog) and inherent measurement limitations preclude the use of perfect information on the network's parameters. Third, as has been the most common practice so far, neural networks are simulated or implemented on a digital device, with the consequent limitations on precision to which net parameters can be represented. Finally, for these or other reasons, the activation functions (e.g. sigmoids) of the network are not known precisely or cannot be evaluated properly. Although perhaps negligible in a single iteration, these perturbations are likely to accumulate under iteration, even in feedforward nets. Eventually, they may, in fact, distort the results of the implementation to the point of making the simulation useless, if not misleading. 455 456 Garzon and Botelho There is, therefore, an important difference between the intended operation of an idealized neural network and its observable behavior. This is a classical problem in systems theory and it has been addressed in several ways. First, the classical notions of distinguishability and observability in control theory (Sontag, 1990) which roughly state that every pair of system's states are distinguishable by different outputs over evolution in finite time. This is thus a notion of local state observability. More recently, several results have established more global notions of identifiability of discrete-time feedfoward (Sussmann, 1992; Chen, Lu, Hecht-Nelson, 1993) and continuous-time recurrent neural nets (Albertini and Sontag, 1993a,b), which roughly state that for given odd activation functions (such as tanh), the weights of a neural network are essentially uniquely determined (up to permutation and cell redundancies) by the input/output behavior of the network. These notions do assume error-free inputs, weights, and activation functions. In general, a computer simulation of an orbit of a given dynamical system in the continuuum (known as a pseudo-orbit) is, in fact, far from the orbit in the ideal system. Motivated by this problem, Birkhoff introduced the so-called shadowing property. A system satisfies the shadowing propertyif all pseudo-orbits are uniformly approximated by actual orbits so that the former capture the long-term behavior of the system. Bowen showed that sufficiently hyperbolic systems in real euclidean spaces do have the shadowing property (Bowen, 1978). However, it appears difficult even to give a characterization of exactly which maps on the interval possess the property -see e.g. (Coven, Kan, Yorke, 1988). Precise definitions of all terms can be found in section 2. By comparison to state observability and identifiability, the shadowing property is a type of global observability of a system through its dynamical behavior. Since autonomous recurrent networks can be seen as dynamical systems, it is natural to investigate this property. Thus, a neural net is observable in the sense that its behavior (i.e. the sequence of its ideal actions on given initial conditions) can be observed on computer simulations or discrete implementations, despite inevitable concomitant approximations and errors. The purpose of this paper is to explore this property as a deterministic model for perturbations of neural network behavior in the presence of arbitrary small errors from various sources. The model includes both discrete and analog networks. In section 4 we sketch a proof that locally finite boolean neural networks (even with an infinite number of neurons)' are all observable in this sense. This is not true in general for analog networks, and section 3 is devoted to sketching necessary and sufficient conditions for the relatively few analog exceptions for the most common transfer functions: hard-thresholds, a variety of sigmoids (hyperbolic tangent, logistic, etc.) and saturated linear maps. Finally, section 5 discusses the results and poses some other problems worthy of further research. 2 DEFINITIONS AND MAIN RESULTS This section contains notation and precise definitions in a general setting, so as to include discrete-time networks both with discrete and continuous activations. Let f :X ~ X be a continuous map of a compact metric space with metric 1*, * I. Observability of Neural Network Behavior The orbit of x E X is the sequence {x, f(x), ... , fk(x) ... }, i.e. a sequence of points {xkh~o for which X k + 1 = f(x k ), for all k ~ o. Given a number 6 > 0, a 6-pseudoorbit is a sequence {xk} so that the distances If(xk), xk+11 < 6 for all k ~ o. Pseudo-orbits arise as trajectories of ideal dynamical processes contaminated by errors and noise. In such cases, especially when errors propagate exponentially, it is important to know when the numerical process is actually representing some meaningful trajectory of the real process. Definition 2.1 The map f on a metric space X is (globally) observable (equivalently] has the shadowing property] or is traceable) if and only if for every f > 0 there exists a 6 > 0 so that any 6 -pseudo-orbit {xk} is f-approximated by the orbit] under f] of some point z E X] i.e. Ixk, fk(z) I < f for all k > o. One might observe that computer simulations only run for finite time. On compact spaces (as is the case below)' observability can be shown to be equivalent to a similar property of shadowing finite pseudo-orbits. 'Analog neural network' here means a finite number n of units (or cells), each of which is characterized by an activation (sometimes called output) function Ui : R -+ R, and weight matrix W of synaptic strengths between the various units. Units can assume real-valued activations Xi, which are updated synchronously and simultaneously at discrete instants of time, according to the equation + 1) - udL wi,ixi(t)]. (1) i The total activation of the network at any time is hence given by a vector x in euclidean space Rn, and the entire network is characterized by a global dynamics Xi(t T(x) u[W x], (2) where W x denotes ordinary product and u is the map acting as Ui along the ith component. This component in a vector x is denoted Xi (as opposed to xk, the kth term of a sequence). The unit hypercube in Rn is denoted In. An analog network is then defined as a dynamical system in a finite-dimensional euclidean space and one may then call a neural network (globally) observable if its global dynamics is an observable dynamical system. Likewise for boolean networks, which will be defined precisely in section 4. We end this section with some background facts about observability on the continuum. It is perhaps surprising but a trivial remark that the identity map of the real interval is not observable in this sense, since orbits remain fixed, but pseudo-orbits may drift away from the original state and can, in fact, be dense in the interval. Likewise, common activation functions of neural networks (such as hard thresholds and logistic maps) are not observable. For linear maps, observability has long been known to be equivalent to hyperbolicity (all eigenvalues>. have 1>'1 =f:. 1). Composition of observable maps is usually not observable (take, for instance, a hyperbolic homeomorphism and its inverse). In contrast, composition of linear and nonobservable activation functions in neural networks are, nevertheless, observable. The main take-home message can be loosely summarized as follows . Theorem 2.1 Except for a negligible fraction of exceptions, discrete-time analog neural nets are observable. All discrete (boolean) neural networks are observable. 457 458 Garzon and Botelho 3 ANALOG NEURAL NETWORKS This section contains (a sketch) of necessary and sufficient conditions for analog networks to be observable for common types of activations functions. 3.1 HARD-THRESHOLD ACTIVATION FUNCTIONS It is not hard to give necessary and sufficient conditions for observability of nets with discrete activation functions of the type .- {~ if 1.? ~ Oi else. where Oi is a theshold characterizing cell i. 1 : Rn -+ Rn with finite range is observable il and only il it is continuous at each point of its range. Lemma 3.1 A map PROOF. The condition is clearly sufficient. If 1 is continuous at every point of its range, small enough perturbations X k + 1 of an image I(x k ) have the same image I(x k+ l ) = l(f(x k )) and hence, for 8 small enough, every 8-pseudo-orbit is traced by the first element of the pseudo-orbit. Conversely, assume 1 is not continuous at a poin t of its range 1(XO). Let xl, x 2, ... be a sequence constant under 1 whose image does not converge to 1(I(xO)) (such a sequence can always be so chosen because the range is discrete). Let c= ~ min 2.z,yER ... I/(x), f(y)l. For a given 8 > 0 the pseudo-orbit xo, xk, f(xk), 12(xk ), ... is not traceable for k large enough. Indeed, for any z within ?-distance of xO, either f(z) =I f(xO), in which case this distance is at least ?, or else they coincide, in which case 1/2(z), l(xk)1 > ? anyway by the choice of xk. 0 Now we can apply Lemma 3.1 to obtain the following characterization. Theorem 3.1 A discrete-time neural net T with weight matrix W := (Wij) and threshold vector 0 is observable if and only ~f for every y in the range OJ for every i (1 ::; i ::; n). 3.2 01 T, (W Y)i =I SIGMOIDAL ACTIVATION FUNCTIONS In this section, we establish the observability of arbitrary neural nets with a fairly general type of sigmoidal activation functions, as defined next. Definition 3.1 A map (j : R -+ R is sigmoidal if it is strictly increasing, bounded (above and below), and continuously differentiable. Important examples are the logistic map a?(1.?) , 1 ---:--~ - 1 + exp( -J.L1.?) , Observability of Neural Network Behavior the arctan and the hyperbolic tangent maps adu) = arctan(J.tu) , adu) =tanh(u) = exp(u) - exp(-u) () (). exp u + exp -u Note that, in particular, the range of a sigmoidal map is an open and bounded interval, which without loss of generality, can be assumed to be the unit interval I. Indeed, if a neural net has weight matrix Wand activation function a which is conjugate to an activation function a' by a conjugacy ~, then a 0 W --.J a' ~W ~-1 where denotes conjugacy. One can, moreover, assume that the gain factors in the sigmoid functions are all J.t = 1 (multiply the rows of W). --.J Theorem 3.2 Every neural networks with a sigmoidal activation function has a strong attractor, and in particular, it is observable. PROOF. Let a neural net with n cells have weight matrix Wand sigmoidal a. Consider a parametrized family {T,L}", of nets with sigmoidals given by a", := J.ta. It is easy to see that each T", (J.t > 0) is conjugate to T. However, W needs to be replaced by a suitable conjugation with a homeomorphism ~w By Brouwer's fixed point theorem, T,L has a fixed point p* in In. The key idea in the proof is the fact that the dynamics of the network admits a Lyapunov function given by the distance from p*. Indeed, II T",(x) - T,L(P*) II~ sup IJT", I II x - p* y II, where J denotes jacobian. Using the chain rule and the fact that the derivatives of ~'" and aiL are bounded (say, below by b and above by B), the Jacobian satisfies IJT,L(Y) I ~ J.tn(bB)nIWI, where IW I denotes the determinant of W. Therefore we can choose J.t small enough that the right-hand side of this expression is less than 1 for arbitrary y, so that T", is a contraction. Thus, the orbit of the first element in any ?-pseudo-orbit ?-traces the orbit. 0 3.3 SATURATED-LINEAR ACTIVATION FUNCTIONS The case of the nondifferentiable saturated linear sigmoid given by the piecewise linear map 0, { u, I, for u < 0 for 0 ~ u ~ 1 for u > 1 (3) presents some difficulties. First, we establish a general necessary condition for observability, which follows easily for linear maps since shadowing is then equivalent to hyperbolicity. Theorem 3.3 If T leaves a segment of positive length pointwise fixed, then T not observable. lS 459 460 Garzon and Botelho Although easy to see in the case of one-dimensional systems due to the fact that the identity map is not observable, a proof in higher dimensions requires showing that a dense pseudo-orbit in the fixed segment is not traceable by points outside the segment. The proof makes use of an auxiliary result. Lemma 3.2 A linear map L : Rn - Rn, acts along the orbit of a point x in the unit hypercube either as an attractor to 0, a repellor to infinity, or else as a rigid rotation or reflection. en - en PROOF. By passing to the complexification L' : of L and then to a conjugate, assume without loss of generality that L has a matrix in Jordan canonical form with blocks either diagonal or diagonal with the first upper minor diagonal of Is. It suffices to show the claim for each block, since the map is a cartesian product of the restrictions to the subspaces corresponding to the blocks. First, consider the diagonal case. If the eigenvalues P,I < 1 (P,I > I, respectively), clearly the orbit Lk(x) _ 0 (II Lk(x) 11- 00). If P,I = I, L acts as a rotation. In the nondiagonal case, it is easy to see that the iterates of x = (XlJ .. " x m ) are given by t-l t Lt(x) .- L (k) ).t-k Xk + + L (k) ).t-k Xk + 1 k=O 2 + ... + ).txm' (4) k=O The previous argument for the diagonal block still applies for 1).1 =I 1. If 1).1 = 1 and if at least two components of x E In are nonzero, then they are positive and again I L(x) 11- 00. In the remaining case, L acts as a rotation since it reduces to multiplication of a single coordinate of x by).. 0 PROOF OF THEOREM 3.3. Assume that T = u 0 Land T leaves invariant a segment xy positive length. Suppose first that L leaves invariant the same segment as well. By Lemma 3.2, a pseudo-orbit in the interior of the hypercube In cannot be traced by the orbit of a point in the hypercube. If L moves the segment xy invariant under T, we can aSsume without loss of generality it lies entirely on a hyperplane face F of In and the action of u on L(xy) is just a projection over F. But in that case, the action of T on the segment is a (composition of two) linear map(s) and the same argument applies. 0 We point out that, in particular, T may not be observable even if W is hyperbolic. The condition in Theorem 3.3 is, in fact, sufficient. The proof is more involved and is given in detail in (Garzon & Botelho, 1994). WIth Theorem 3.3 one can then determine relatively simple necessary and sufficient conditions for observability (in terms of the eigenvalues and determinants of a finite number of linear maps). They establish Theorem 2.1 for saturated-linear activation functions. 4 BOOLEAN NETWORKS This section contains precise definitions of discrete (boolean) neural networks and a sketch of the proof that they are observable in general. Discrete neural networks have a finite number of activations and their state sets are endowed with an addition and multiplication. The activation function OJ (typically Observability of Neural Network Behavior a threshold function) can be given by an arbitrary boolean table, which may vary from cell to cell. They can, moreover, have an infinite number of cells (the only case of interest here, since finite booolean networks are trivially observable). However, since the activation set if is finite, it only makes sense to consider locally finite networks, for which every cell i only receives input from finitely many others. A total state is now usually called a configuration. A configuration is best thought of as a bi-infinite sequence x := XIX2X3 .?? consisting of the activations of all cells listed in some fixed order. The space of all configurations is a compact metric space if endowed with any of a number of equivalent metrics, such as lx, YI := 2;'" where m = inf{i : Xi =1= Yd. In this metric, a small perturbation of a configuration is obtained by changing the values of x at pixels far away from Xl. The simplest question about observability in a general space concerns the shadowing of the identity function. Observability of the identity happens to be a property characteristic of configuration spaces. Recall that a totally disconnected topological space is one in which the connected component of every element is itself. Theorem 4.1 The idenh'ty map id of a compact metric space X is observable iff X is totally disconnected. The first step in the proof of Theorem 4.3 below is to characterize observability of linear boolean networks (i.e. those obeying the superposition principle). Theorem 4.2 Every linear continuous map has the shadowing property. For the other step we use a global decomposition T = F 0 L of the global dynamics of a discrete network as a continuous transformation of configuration space due to (Garzon & Franklin, 1990). The reader is referred to (Garzon & Botelho, 1992) for a detailed proof of all the results in this section. Theorem 4.3 Every discrete (boolean) neural network is observable. 5 CONCLUSION AND OPEN PROBLEMS It has been shown that the particular combination of a linear map with an activation function is usually globally observable, despite the fact that neither of them is observable and the fact that, ordinarily, composition destroys observability. Intuitively, this means that observing the input/output behavior of a neural network will eventually give away the true nature of the network's behavior, even if the network perturbs its behavior slighlty at each step of its evolution. In simple terms, such a network cannot fool all the people all of the time. The results are valid for virtually every type of autonomous first-order network that evolves in discrete-time, whether the activations are boolean or continuous. Several results follow from this characterization. For example, in all likelihood there exist observable universal neural nets, despite the consequent undecidability of their computational behavior. Also, neural nets are thus a very natural set of primitives for approximation and implementation of more general dynamical systems. These and other consequences will be explored elsewhere (Botelho & Garzon, 1994). 461 462 Garzon and Botelho Natural questions arise from these results. First, whether observability is a general property of most analog networks evolving in continuous time as well. Second, what other type of combinations of non observable systems of more general types creates observability, i.e. to what extent neural networks are peculiar in this regard. For example, are higher-order neural networks observable? Those with sigma-pi units? Finally, there is the broader question of robustness of neural network implementations, which bring about inevitable errors in input and/or weights. The results in this paper give a deeper explanation for the touted robustness and fault-tolerance of neural network solutions. But, further, they also seem to indicate that it may be possible to require that neural net solutions have observable behavior as well, without a tradeoff in the quality of the solution. An exact formulation of this question is worthy of further research. Acknow ledgements The work of the first author was partially done while on support from NSF grant CCR-9010985 and CNRS-France. References F. Albertini and E.D. Sontag. (1993) Identifiability of discrete-time neural networks. In Proc. European Control Conference, 460-465. Groningen, The Netherlands: Springer-Verlag. F. Albertini and E.D. Sontag. (1993) For neural networks, function determines form. Neural Networks 6(7): 975-990. F. Botelho and M. Garzon. (1992) Boolean Neural Nets are Observable, Memphis State University: Technical Report 92-18. F. Botelho and M. Garzon. (1994) Generalized Shadowing Properties. J. Random and Computat?onal Dynamics, in print. R. Bowen. (1978) On Axiom A diffeomorphisms. In CBMS Regional Conference Ser?es ?n Math. 35. Providence, Rhode Island: American Math. Society. A.M. Chen, H. Lu, and R. Hecht-Nielsen, (1993) On the Geometry of Feedforward Neural Network Error Surfaces. Neural Computat?on 5(6): 910-927. E. Coven, 1. Kan, and J. Yorke. (1988) Pseudo-orbit shadowing in the family of tent maps. Trans. AMS 308: 227-241. M. Garzon and S. P. Franklin. Complex Systems 4(5): 509-518. (1990) Global dynamics in neural networks II. M. Garzon and F. Botelho. (1994) Observability of Discrete-time Analog Networks, preprint. E.D. Sontag. (1990) Mathemat~?cal Control Theory: Deterministic Fin?teDimens?onal Dynam?cal Systems. New York: Springer-Verlag. H. Sussmann. (1992) Uniqueness of the Weights for Minimal Feedforward Nets with a Given Input-Output Map. Neural Networks 5(4): 589-593.
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Memory-Based Methods for Regression and Classification Thomas G. Dietterich and Dietrich Wettschereck Department of Computer Science Oregon State University Corvallis, OR 97331-3202 Chris G. Atkeson MIT AI Lab 545 Technology Square Cambridge, MA 02139 Andrew W. Moore School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213 Memory-based learning methods operate by storing all (or most) of the training data and deferring analysis of that data until "run time" (i.e., when a query is presented and a decision or prediction must be made). When a query is received, these methods generally answer the query by retrieving and analyzing a small subset of the training data-namely, data in the immediate neighborhood of the query point. In short, memory-based methods are "lazy" (they wait until the query) and "local" (they use only a local neighborhood). The purpose of this workshop was to review the state-of-the-art in memory-based methods and to understand their relationship to "eager" and "global" learning algorithms such as batch backpropagation. There are two essential components to any memory-based algorithm: the method for defining the "local neighborhood" and the learning method that is applied to the training examples in the local neighborhood. We heard several talks on issues related to defining the "local neighborhood". Federico Girosi and Trevor Hastie reviewed "kernel" methods in classification and regression. A kernel function K(d) maps the distance d from the query point to a training example into a real value. In the well-known Parzen window approach, the kernel is a fixed-width gaussian, and a new example is classified by taking a weighted vote of the classes of all training examples, where the weights are determined by the gaussian kernel. Because of the "local" shape of the gaussian, distant training examples have essentially no influence on the classification decision. In regression problems, a common approach is to construct a linear regression fit to the data, where the squared error from each data point is weighted by the kernel. = Hastie described the kernel used in the LOESS method: K(d) (1_d 3)3 (0::; d::; 1 and K(d) = 0 otherwise). To adapt to the local density of training examples, this kernel is scaled to cover the kth nearest neighbor. Many other kernels have been explored, with particular attention to bias and variance at the extremes of the 1165 1166 Dietterich, Wettschereck, Atkeson, and Moore training data. Methods have been developed for computing the effective number of parameters used by these kernel methods. Girosi pointed out that some "global" learning algorithms (e.g., splines) are equivalent to kernel methods. The kernels often have informative shapes. If a kernel places most weight near the query point, then we can say that the learning algorithm is local, even if the algorithm performs a global analysis of the training data at learning time. An open problem is to determine whether multi-layer sigmoidal networks have equivalent kernels and, if so, what their shapes are. David Lowe described a classification algorithm based on gaussian kernels. The kernel is scaled by the mean distance to the k nearest neighbors. His Variablekernel Similarity Metric (VSM) algorithm learns the weights of a weighted Euclidean distance in order to maximize the leave-one-out accuracy of the algorithm. Excellent results have been obtained on benchmark tasks (e.g., NETtalk) . Patrice Simard described the tangent distance method. In optical character recognition, the features describing a character change as that character is rotated, translated, or scaled. Hence, each character actually corresponds to a manifold of points in feature space. The tangent distance is a planar approximation to the distance between two manifolds (for two characters). Using tangent distance with the nearest neighbor rule gives excellent results in a zip code recognition task. Leon Bottou also employed a sophisticated distance metric by using the Euclidean distance between the hidden unit activations of the final hidden layer in the Bell Labs "LeNet" character recognizer. A simple linear classifier (with weight decay) was constructed to classify each query. Bottou also showed that there is a tradeoff between the quality of the distance metric and the locality of the learning algorithm. The tangent distance is a near-perfect metric, and it can use the highly local firstnearest-neighbor rule. The hidden layer of the LeNet gives a somewhat better metric, but it requires approximately 200 "local" examples. With the raw features, LeNet itself requires all of the training examples. We heard several talks on methods that are local but not lazy. John Platt described his RAN (Resource Allocating Network) that learns a linear combination of radial basis functions by iterative training on the data. Bernd Fritzke described his improvements to RAN. Stephen Omohundro explained model merging, which initially learns local patches and, when the data justifies, combines primitive patches into larger high-order patches. Dietrich Wettschereck presented BNGE, which learns a set of local axis-parallel rectangular patches. Finally, Andrew Moore, Chris Atkeson, and Stefan Schaal described integrated memory-based learning systems for control applications. Moore's system applies huge amounts of cross-validation to select distance metrics, kernels, kernel widths, and so on. Atkeson advocated radical localism-all algorithm parameters should be determined by lazy, local methods. He described algorithms for obtaining confidence intervals on the outputs of local regression as well as techniques for outlier removal. One method seeks to minimize the width of the confidence intervals. Some of the questions left unanswered by the workshop include these: Are there inherent computational penalties that lazy methods must pay (but eager methods can avoid)? How about the reverse? For what problems are local methods appropriate?
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Training Neural Networks with Deficient Data Volker Tresp Siemens AG Central Research 81730 Munchen Germany [email protected] Subutai Ahmad Interval Research Corporation 1801-C Page Mill Rd. Palo Alto, CA 94304 [email protected] Ralph N euneier Siemens AG Central Research 81730 Munchen Germany [email protected] Abstract We analyze how data with uncertain or missing input features can be incorporated into the training of a neural network. The general solution requires a weighted integration over the unknown or uncertain input although computationally cheaper closed-form solutions can be found for certain Gaussian Basis Function (GBF) networks. We also discuss cases in which heuristical solutions such as substituting the mean of an unknown input can be harmful. 1 INTRODUCTION The ability to learn from data with uncertain and missing information is a fundamental requirement for learning systems. In the "real world" , features are missing due to unrecorded information or due to occlusion in vision, and measurements are affected by noise. In some cases the experimenter might want to assign varying degrees of reliability to the data. In regression, uncertainty is typically attributed to the dependent variable which is assumed to be disturbed by additive noise. But there is no reason to assume that input features might not be uncertain as well or even missing competely. In some cases, we can ignore the problem: instead of trying to model the relationship between the true input and the output we are satisfied with modeling the relationship between the uncertain input and the output. But there are at least two 128 Training Neural Networks with Deficient Data reasons why we might want to explicitly deal with uncertain inputs. First, we might be interested in the underlying relationship between the true input and the output (e.g. the relationship has some physical meaning). Second, the problem might be non-stationary in the sense that for different samples different inputs are uncertain or missing or the levels of uncertainty vary. The naive strategy of training networks for all possible input combinations explodes in complexity and would require sufficient data for all relevant cases. It makes more sense to define one underlying true model and relate all data to this one model. Ahmad and Tresp (1993) have shown how to include uncertainty during recall under the assumption that the network approximates the "true" underlying function. In this paper, we first show how input uncertainty can be taken into account in the training of a feedforward neural network. Then we show that for networks of Gaussian basis functions it is possible to obtain closed-form solutions. We validate the solutions on two applications. 2 THE CONSEQUENCES OF INPUT UNCERTAINTY Consider the task of predicting the dependent variable l y E ~ from the input vector x E ~M consisting of M random variables. We assume that the input data {(xklk = 1,2, ... , K} are selected independently and that P(x) is the joint probability distribution of x. Outputs {(yklk = 1,2, ... , K} are generated following the standard signal-plus-noise model yk = /(xk) + (k = where {(klk 1,2, ... , K} denote zero-mean ran'dom variables with probability density Pc(t:). The best predictor (in the mean-squared sense) of y given the input x is the regressor defined by E(ylx) J y P(ylx) dx f(x), where E denotes the expectation. Unbiased neural networks asymptotically (K -+ 00) converge to the regressor. = = To account for uncertainty in the independent variable we assume that we do not have access to x but can only obtain samples from another random vector z E ~M with zk = xk + Ok = where {Ok Ik 1,2, ... , K} denote independent random vectors containing M random variables with joint density P6(6).2 = 1,2, ... , K} approximates E(ylz) = P~z) y P(ylx) P(zlx) P(x) dydx = P~z) /(x) P6(Z - x) P(x) dx. A neural network trained with data {(zk, yk)lk J J (1) Thus, in general E(ylz) # /(z) and we obtain a biased solution. Consider the case that the noise processes can be described by Gaussians Pc(() = G((j 0, O'Y) and P6(6) G(Oj 0, 0') where, in our notation, G(Xj m, s) stands for = G(x' m s) , , 1 1 M (x? - m?)2 - (211')M/2 n:;l Sj exp[-- "" 2~ J s] J] lOur notation does not distinguish between a random variable and its realization. this point, we assume that P6 is independent of x. 2 At 129 130 Tresp, Ahmad, and Neuneier ? f(x) E(y!x) y t E(ylz) I F \j ./ \ ~ Figure 1: The top half of the figure shows the probabilistic model. In an example, the bottom half shows E(Ylx) f( x) (continuous), the input noise distribution (dotted) and E(ylz ) (dashed). = where m, s are vectors with the same dimensionality as x (here M). Let us take a closer look at four special cases. Certain input. If t7 = 0 (no input noise), the integral collapses and E(ylz) = fez). Uncertain input. If P(x) varies much more slowly than P(zlx), Equation 1 described the convolution of f(x) with the noise process P6(Z - x). Typical noise processes will therefore blur or smooth the original mapping (Figures 1). It is somewhat surprising that the error on the input results in a (linear) convolution integral. In some special cases we might be able to recover f( x) from an network trained on deficient data by deconvolution, although one should use caution since deconvolution is very error sensitive. Unknown input. If t7j - 00 then the knowledge of Zj does not give us any information about Xj and we can consider the jth input to be unknown. Our formalism therefore includes the case of missing inputs as special case. Equation 1 becomes an integral over the unknown dimensions weighted by P(x) (Figure 2). Linear approximation. If the approximation (2) = is valid, the input noise can be transformed into output noise and E(ylz) fez). This results can also be derived using Equation 1 if we consider that a convolution of a linear function with a symmetrical kernel does not change the function. This result tells us that if f(x) is approximately linear over the range where P6(6) has significant Training Neural Networks with Deficient Data '."r---~-~--' '.2 ... = Figure 2: Left: samples yk f(xt, x~) are shown (no output noise). Right: with one input missing, P(yIX1) appears noisy. amplitude we can substitute the noisy input and the network will still approximate f(x). Similarly, the mean mean(xi) of an unknown variable can be substituted for an unknown input, if f(x) is linear and xi is independent of the remaining input variables. But in all those cases, one should be aware of the potentially large additional variance (Equation 2). 3 MAXIMUM LIKELIHOOD LEARNING In this section, we demonstrate how deficient data can be incorporated into the training of feedforward networks. In a typical setting, we might have a number of complete data, a number of incomplete data and a number of data with uncertain features. Assuming independent samples and Gaussian noise, the log-likelihood I for a neural network NNw with weight vector W becomes K K 1= 2:logP(zk,yk) k=1 = 2: log k=1 J G(yk jNNw(x),(1Y) G(zk jX ,(1k) P(x) dx. Note that now, the input noise variance is allowed to depend on the sample k. The gradient of the log-likelihood with respect to an arbitrary weight Wi becomes3 ~ 8IogP(zk, yk) 8w. = L...J 8w' l k=1 l 01 J(yk - NNw (x)) 8N:~(x) 1 ~ 1 = ((1y)2 k=1' L...J P(zk yk) X G(yk;NNw(x),(1Y) G(zk;X,(1k) P(x) dx. (3) First, realize that for a certain sample k ((1k --+ 0): 8IogP(zk,yk)/8wi = (yk _ N N w(zk))/((1Y)2 8N Nw(zk)/8wi which is the gradient used in normal backpropagation. For uncertain data, this gradient is replaced by an averaged gradient. The integral averages the gradient over possible true inputs x weighted by the probability of P(xlzk,yk) = P(zkl x ) P(ykl x ) P(x)/p(zk,yk). The term 3This equation can also be obtained via the EM formalism. A similar equation was obtained by Buntine and Weigend (1991) for binary inputs. 131 132 Tresp, Ahmad, and Neuneier P(ykl x ) == G(ykjNNw(x),D''') is of special importance since it weights the gradient higher when the network prediction NNw (x) agrees with the target yk. This term is also the main reason why heuristics such as substituting the mean value for a missing variable can be harmful: if, at the substituted input, the difference between network prediction and target is large, the error is also large and the data point contributes significantly to the gradient although it is very unlikely that the substitutes value was the true input. In an implementation, the integral needs to be approximated by a finite sum (i. e. Monte-Carlo integration, finite-difference approximation etc.). In the experiment described in Figure 3, we had a 2-D input vector and the data set consisted of both complete data and data with one missing input. We used the following procedure 1. Train the network using the complete data. Estimate (U Il )2. We used (U II )2 ~ (Ec /(K - H?, where Ec is the training error after the network was trained with only the complete data, and H is the number of hidden units in the network. 2. Estimate the input density P(x) using Gaussian mixtures (see next section). 3. Include the incomplete training patterns in the training. 4. For every incomplete training pattern ? Let z~ be the certain input and let zt be the missing input, and z1c = (z~, zt) . ? Approximate (assuming -1/2 < Xj < 1/2, the hat stands for estimate) 8 log P(z~, y1c) 8Wi ::::: 1 1 J (ulI)2 1 p(z~ , J/2 ~ y1c) . L..J ?y1c - N Nw(z~, j / J? x J=-J/2 where 4 GAUSSIAN BASIS FUNCTIONS The required integration in Equation 1 is computationally expensive and one would prefer closed form solutions. Closed form solutions can be found for networks which are based on Gaussian mixture densities. 4 Let's assume that the joint density is given by N P(x) == L G(x; Ci, Si) P(Wi), i=l where Ci is the location of the center of the ith Gaussian and and Sij corresponds to the width of the ith Gaussian in the jth dimension and P(Wi) is the prior probability of Wi. Based on this model we can calculate the expected value of any unknown 4Gaussian mixture learning with missing inputs is also addressed by Ghahramani and Jordan (1993). See also their contribution in this volume. Training Neural Networks with Deficient Data 0.1 0.1 28c 28c, 225m 125c 125c, 128m 28c 225m 28c, 225m mean subst Figure 3: Regression. Left: We trained a feedforward neural network to predict the housing price from two inputs (average number of rooms, percent of lower status population (Tresp, Hollatz and Ahmad (1993?. The training data set contained varying numbers of complete data points (c) and data points with one input missing (m). For training, we used the method outlined in Section 3. The test set consisted of 253 complete data. The graph (vertical axis: generalization error) shows that by including the incomplete patterns in the training, the performance is significantly improved. Right: We approximated the joint density by a mixture of Gaussians. The incomplete patterns were included by using the procedure outlined in Section 4. The regression was calculated using Equation 4. As before, including the incomplete patterns in training improved the performance. Substituting the mean for the missing input (column on the right) on the other hand, resulted in worse performance than training of the network with only complete data. i _. -.- 0.86 1??84 - 1) io.n ic: ? 0.82 I 0.74 r-----.-----~--__, 0.7 0.8 60.68 tf!. 1000 2000 3000 # of data with miss. feat. 234 5 # of missing features Figure 4: Left: Classification performance as a function of the number of missing features on the task of 3D hand gesture recognition using a Gaussian mixtures classifier (Equation 5). The network had 10 input units, 20 basis functions and 7 output units. The test set contained 3500 patterns. (For a complete description of the task see (Ahmad and Tresp, 1993).) Class-specific training with only 175 complete patterns is compared to the performance when the network is trained with an additional 350, 1400, and 3325 incomplete patterns. Either 1 input (continuous) or an equal number of 1-3 (dashed) or 1-5 (dotted) inputs where missing. The figure shows clearly that adding incomplete patterns to a data set consisting of only complete patterns improves performance. Right: the plot shows performance when the network is trained only with 175 incomplete patterns. The performance is relatively stable as the number of missing features increases. 133 134 Tresp, Ahmad, and Neuneier variable 1993) XU from any set of known variables xn using (Tresp, Hollatz and Ahmad, E(xUlxn) = E; E.=1 ciG(xn; ci,si) P(w.) G(xnj cf, sf) P(Wi) (4) Note, that the Gaussians are projected onto the known dimensions. The last equation describes the normalized basis function network introduced by Moody and Darken (1989). Classifiers can be built by approximating the class-specific data distributions P(xlclassi) by mixtures of Gaussians. Using Bayes formula, the posterior class probability then becomes P(classi)P(xlclassi) P( 1 I) c ass, x = "L..J; P( class; )P(xI ' class;) (5) We now assume that we do not have access to x but to z where, again, P(zlx) = G(z; x, 0'). The log-likelihood of the data now becomes K N K N 1 = L:log jL:G(X;Ci,Si)P(Wi) G(zk;x,O'k) dx = LlogLG(zk;ci,Sf)P(wi) k=1 i=1 k=1 .=1 = where (Sf;)2 s~; + (O'j)2. We can use the EM approach (Dempster, Laird and Rubin, 1977) to obtain the following update equations. Let Ci;, s.; and P(w.) denote current parameter estimates and let Of; = (Ci;(O'j)2 + z;s~;)/(Sf;? and Df; = ?O'j)2 s~;)/(Sf;)2. The new estimates (indicated by a hat) can be obtained using P(wdz k ) G(zk; Ci, Sf) P(Wi) K P(w.) (6) Ef=1 G(Zk;C;, Sf) pew;) 1 L: K P(w.lz k) (7) A k=1 K k k Ek=10i; P(wdz ) EKk=1 P(Wil z k) A Ci; (8) A A2 si; Ef=1[Df; + (Of; K Ci;)2] P(wdz k ) Ek=1 P(Wi Izk) A (9) These equations can be solved by alternately using Equation 6 to estimate P(wdz k ) and Equations 7 to 9 to update the parameter estimates. If uk 0 for all k (only certain data) we obtain the well known EM equations for Gaussian mixtures (Duda and Hart (1973), page 200). Setting 0': = 00 represents the fact that the jth input is missing in the kth data point and Of; = Cij, Dfj = s~;. Figure 3 and Figure 4 show experimental results for a regression and a classification problem. = Training Neural Networks with Deficient Data 5 EXTENSIONS AND CONCLUSIONS We can only briefly address two more aspects. In Section 3 we only discussed regression. We can obtain similar results for classification problems if the costfunction is a log-likelihood function (e.g. the cross-entropy, the signal-plus-noise model is not appropriate). Also, so far we considered the true input to be unobserved data. Alternatively the true inputs can be considered unknown parameters. In this case, the goal is to substitute the maximum likely input for the unknown or noisy input. We obtain as log-likelihood function ~[_~ (y1: I (X L...J 2 - N N w (x1c)? _ ~ ~ (x;- zt? + I P( 1:)] (qy)2 2~ (q~)2 og X . 1:=1 1=1 1 The l.earning frocedure consists of finding optimal values for network weights wand true mputs x . 6 CONCLUSIONS Our paper has shown how deficient data can be included in network training. Equation 3 describes the solution for feedforward networks which includes a computationallyexpensive integral. Depending on the application, relatively cheap approximations might be feasible. Our paper hinted at possible pitfalls of simple heuristics. Particularly attractive are our results for Gaussian basis functions which allow closed-form solutions. References Ahmad, S. and Tresp, V. (1993). Some solutions to the missing feature problem in vision. In S. J. Hanson, J. D. Cowan and C. 1. Giles, (Eds.), Neural Information Processing Systems 5. San Mateo, CA: Morgan Kaufmann. Buntine, W. L. and Weigend, A. S. (1991). Bayesian Back-Propagation. Complex systems, Vol. 5, pp. 605-643. Dempster, A. P., La.ird, N. M. and Rubin, D. B. (1977). Maximum likelihood from incomplete data via the EM algorithm. J. Royal Statistical Society Series B, 39, pp. 1-38. Duda, R. O. and Hart, P. E. (1973). Pattern Classification and Scene Analysis. Wiley and Sons, New York. John Ghahramani, Z. and Jordan, M. I. (1993). Function approximation via density estimation using an EM approach. MIT Computational Cognitive Sciences, TR 9304. Moody, J. E. and Darken, C. (1989). Fast learning in networks oflocally-tuned processing units. Neural Computation, Vol. 1, pp. 281-294. Tresp, V., Hollatz J. and Ahmad, S. (1993). Network structuring and tra.ining using rulebased knowledge. In S. J. Hanson, J. D. Cowan and C. L. Giles, (Eds.), Neural Information Processing Systems 5. San Mateo, CA: Morgan Kaufmann. Tresp, V., Ahmad, S. and Neuneier, R. (1993). Uncerta.inty in the Inputs of Neural Networks. Presented at Neural Networks for Computing 1993. 135
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Bayesian Self-Organization Alan L. Yuille Division of Applied Sciences Harvard University Cambridge, MA 02138 Stelios M. Smirnakis Lyman Laboratory of Physics Harvard University Cambridge, MA 02138 Lei Xu * Dept. of Computer Science HSH ENG BLDG, Room 1006 The Chinese University of Hong Kong Shatin, NT Hong Kong Abstract Recent work by Becker and Hinton (Becker and Hinton, 1992) shows a promising mechanism, based on maximizing mutual information assuming spatial coherence, by which a system can selforganize itself to learn visual abilities such as binocular stereo. We introduce a more general criterion, based on Bayesian probability theory, and thereby demonstrate a connection to Bayesian theories of visual perception and to other organization principles for early vision (Atick and Redlich, 1990). Methods for implementation using variants of stochastic learning are described and, for the special case of linear filtering, we derive an analytic expression for the output. 1 Introduction The input intensity patterns received by the human visual system are typically complicated functions of the object surfaces and light sources in the world. It *Lei Xu was a research scholar in the Division of Applied Sciences at Harvard University while this work was performed. 1001 1002 Yuille, Smimakis, and Xu seems probable, however, that humans perceive the world in terms of surfaces and objects (Nakayama and Shimojo, 1992). Thus the visual system must be able to extract information from the input intensities that is relatively independent of the actual intensity values. Such abilities may not be present at birth and hence must be learned. It seems, for example, that binocular stereo develops at about the age of two to three months (Held, 1981). Becker and Hinton (Becker and Hinton, 1992) describe an interesting mechanism for self-organizing a system to achieve this. The basic idea is to assume spatial coherence of the structure to be extracted and to train a neural network by maximizing the mutual information between neurons with disjoint receptive fields. For binocular stereo, for example, the surface being viewed is assumed flat (see (Becker and Hinton, 1992) for generalizations of this assumption) and hence has spatially constant disparity. The intensity patterns, however, do not have any simple spatial behaviour. Adjusting the synaptic strengths of the network to maximize the mutual information between neurons with non-overlapping receptive fields, for an ensemble of images, causes the neurons to extract features that are spatially coherent thereby obtaining the disparity [fig. 1]. maximize I (a;b) (: I : I ~ I~ ) Figure 1: In Hinton and Becker's initial scheme (Becker and Hinton, 1992), maximization of mutual information between neurons with spatially disjoint receptive fields leads to disparity tuning, provided they train on spatially coherent patterns (i.e. those for which disparity changes slowly with spatial position) Workers in computer vision face a similar problem of estimating the properties of objects in the world from intensity images. It is commonly stated that vision is illposed (Poggio et al, 1985) and that prior assumptions about the world are needed to obtain a unique perception. It is convenient to formulate such assumptions by the use of Bayes' theorem P(SID) P(DIS)P(S)/ P(D). This relates the proba- = Bayesian Self-Organization bility P(SID) of the scene S given the data D to the prior probability of the scene P(S) and the imaging model P(DIS) (P(D) can be interpreted as a normalization constant) . Thus a vision theorist (see (Clark and Yuille, 1990), for example) determines an imaging model P(DIS), picks a set of plausible prior assumptions about the world P(S) (such as natural constraints (Marr, 1982)), applies Bayes' theorem, and then picks an interpretation S* from some statistical estimator of P(SID) (for example, the maximum a posteriori (MAP) estimator S* = ARG{M AXsP(SID)}.) An advantage of the Bayesian approach is that, by nature of its probabilistic formulation, it can be readily related to learning with a teacher (Kersten et aI, 1987). It is unclear, however, whether such a teacher will always be available. Moreover, from Becker and Hinton's work on self-organization, it seems that a teacher is not always necessary. This paper proposes a way for generalizing the self-organization approach, by starting from a Bayesian perspective, and thereby relating it to Bayesian theories of vision . The key idea is to force the activity distribution of the outputs to be close to a pre-specified prior distribution Pp(S). We argue that this approach is in the same spirit as (Becker and Hinton, 1992), because we can choose the prior distribution to enforce spatial coherence, but it is also more general since many other choices of the prior are possible. It also has some relation to the work performed by Atick and Redlich (Atick and Redlich, 1990) for modelling the early visual system. We will take the viewpoint that the prior Pp(S) is assumed known in advance by the visual system (perhaps by being specified genetically) and will act as a selforganizing principle. Later we will discuss ways that this might be relaxed. 2 Theory We assume that the input D is a function of a signal L that the system wants to determine and a distractor N [fig.2]. For example L might correspond to the disparities of a pair of binocular stereo images and N to the intensity patterns. The distribution of the inputs is PD(D) and the system assumes that the signal L has distribution Pp(L). Let the output of the system be S = G(D, ,) where G is a function of a set of parameters, to be determined. For example, the function G(D, ,) could be represented by a multi-layer perceptron with the , 's being the synaptic weights. By approximation theory, it can be shown that a large varidy of neural networks can approximate any input-output function arbitrarily well given enough hidden nodes (Hornik et aI, 1989) . The aim of self-organizing the network is to ensure that the parameters, are chosen so that the outputs S are as close to the L as possible. We claim that this can be achieved by adjusting the parameters, so as to make the derived distribution of the outputs PDD(S : ,) = f 8(S - G(D, ,))PD (D)[dD] as close as possible to Pp(S). This can be seen to be a consistency condition for a Bayesian theory as from Bayes formula we obtain the equation: J P(SID)PD(D)[dD] = J P(DIS)Pp(S)[dD] = Pp(S). (1) 1003 1004 Yuille, Smimakis, and Xu which is equivalent to our condition, provided we choose to identify P(SID) with 6(S - C(D, -y?. To make this more precise we must define a measure of similarity between the two distributions Pp(S) and PDD(S : -y). An attractive measure is the Kullback-Leibler distance (the entropy of PDD relative to Pp): I( L(-y) = D= F(~,N) J PDD(S : -y) log PDD(S:-y) Pp(S) [dS]. (2) S=G(D,r) ~(~) Figure 2: The parameters -yare adjusted to minihu~e the Kullback-Leibler distance between the prior (Pp) distribution of the true signal (E) and the derived distribution (PDD) of the network output (8). This measure can be divided into two parts: (i) - I PDD(S : -y) log Pp(S)[dS] and (ii) I PDD(S : -y) log PDD(S : -y)[dS). The second term encourages variability of the output while the first term forces similarity to the prior distribution. Suppose that Pp(S) can be expressed as a Markov random field (i.e. the spatial distribution of Pp(S) has a local neighbourhood structure, as is commonly assumed in Bayesian models of vision). Then, by the Hammersely-Clifford theorem, we can write Pp(S) = e-fJEp(S) /Z where Ep(S) is an energy function with local connections (for example, Ep(S) Li(S, - Si+1)2), {3 is an inverse temperature and Z is a normalization constant. = Then the first term can be written (Yuille et ai, 1992) as -J PDD(S : -y) log Pp(S)[d8) ={3{Ep(G(D, -Y?)D + log Z. (3) Bayesian Self-Organization We can ignore the log Z term since it is a constant (independent of ,). Minimizing the first term with respect to , will therefore try to minimize the energy of the outputs averaged over the inputs - (Ep(G(D,')))D - which is highly desirable (since it has a close connection to the minimal energy principles in (Poggio et aI, 1985, Clark and Yuille, 1990)). It is also important, however, to avoid the trivial solution G(D,,) = 0 as well as solutions for which G(D,,) is very small for most inputs. Fortunately these solutions are discouraged by the second term: J PDD(D,,) log PDD(D, ,)[dD], which corresponds to the negative entropy of the derived distribution of the network output. Thus, its minimization with respect to , is a maximum entropy principle which will encourage variability in the outputs G( D,,) and hence prevent the trivial solutions. 3 Reformulating for Implementation. Our theory requires us to minimize the Kullback-Leibler distance, equation 2, with respect to ,. We now describe two ways in which this could be implemented using variants of stochastic learning. First observe that by substituting the form of the derived distribution into equation 2 and integrating out the 5 variable we obtain: " J J\L({) = PD(D) log PDD(G(D,,) : ,) Pp(G(D,,)) [dD]. (4) Assuming a representative sample {DJ.t : JJ fA} of inputs we can approximate K L(,) by LJ.ttA log[PDD(G(DJ.t,,) : ,)/ Pp(G(DJ.t, ,))]. We can now, in principle, perform stochastic learning using backpropagation: pick inputs DJ.t at random and update the weights, using log[PDD(G(DJ.t,,): ,)/Pp(G(DJ.t,,))] as the error function. To do this, however, we need expressions for PDD(G(DJ.t,,) : ,) and its derivative with repect to,. If the function G(D,,) can be restricted to being 1-1 (increasing the dimensionality of the output space if necessary) then we can obtain (Yuille et aI, 1992) analytic expressions PDD(G(D,,) :,) = PD(D)/I det(oG/oD)1 and (ologPDD(G(D,,) : ,)/0,) -(oG/OD)-1(02G/oDo,), where [-1] denotes the matrix inverse. Alternatively we can perform additional sampling to estimate PDD(G(D,,):,) and (ologPDD(G(D,,): ,)/0,) directly from their integral representations. (This second approach is similar to (Becker and Hinton, 1992) though they are only concerned with estimating the first and second moments of these distributions. ) = 4 Connection to Becker and Hinton. The Becker and Hinton method (Becker and Hinton, 1992) involves maximizing the mutual information between the output of two neuronal units 5 1 ,52 [fig.l]. This is given by : where the first two terms correspond to maximizing the entropies of 51 and 52 while the last term forces 51 :::::: 52. 1005 1006 Yuille, Smirnakis, and Xu By contrast, our version tries to minimize the quantity: - S2) our second term will force S1 ~ S2 and our first term will maximize the entropy of the joint distribution of Sl, S2. We argue that this is effectively the same as (Becker and Hinton, 1992) since maximizing the joint entropy of Sl, S2 with Sl constrained to equal S2 is equivalent to maximizing the individual entropies of SI and S2 with the same constraint. If we then ensure that Pp (S 1, S2) = 6(S 1 To be more concrete, we consider Becker and Hinton's implementation of the mutual information maximization principle in the case of units with continuous outputs. They assume that the outputs of units 1, 2 are Gaussian 1 and perform steepest descent to maximize the symmetrized form of the mutual information between SI and S2: where VO stands for variance over the set of inputs. They assume that the difference between the two outputs can be expressed as un correlated additive noise, SI = S2 + N. We reformalize their criterion as maximizing EBH(V(S2), V(N)) where E BH (V(S2), V(N)) = log{V(S2) + V(N)} + log V(S2) - 210g V(N). (6) For our scheme we make similar assumptions about the distributions of SI and S2. We see that < logPDD(SI,S2) >= -log{< si >< S~ > - < S1S2 >2} = -log{V(S2)V(N)} (since < S1S2 >=< (S2 + N)S2 >= V(S2) and < Sf >= V(S2) + V(N)). Using the prior distribution PP(Sl' S2) ~ e- r (Sl-S2)2 our criterion corresponds to minimizing EYSX(V(S2), V(N)) where: Ey SX(V(S2), V(N)) = -log V(S2) - log V(N) + rV(N). (7) It is easy to see that maximizing E BH (V(S2), V(N)) will try to make V(S2) as large as possible and force V(N) to zero (recall that, by definition, V(N) ~ 0). Minimizing our energy will try to make V(S2) as large as possible and will force V(N) to 1/r (recall that r appears as the inverse of the variance of a Gaussian prior distribution for SI - S2 so making r large will force the prior distribution to approach 6(Sl - S2).) Thus, provided r is very large, our method will have the same effect as Becker and Hinton's. 5 Application to Linear Filtering. We now describe an analysis of these ideas for the case of linear filtering. Our approach will be contrasted with the traditional Wiener filter approach. 1 We assume for simplicity that these Gaussians have zero mean. Bayesian Self-Organization Consider a process ofthe form D(i) = ~(i)+N(i) where D(i) denotes the input to the system, ~(i) is the true signal which we would like to predict, and N(i) is the n?ise corrupting the signal. The resulting Wiener filter Aw (i) has fourier transform Aw = ~~ , ~/?h:: , ~ + ~N,N) where ~~,~ and ~N,N are the power spectrum of the signal and the noise respectively. By contrast, let us extract a linear filter Ab by applying our criterion. In the case that the noise and signal are independent zero mean Gaussian distributions this filter can be calculated explicitly (Yuille et aI, 1992). It has fourier transform with squared magnitude given by IAbl2 = ~!:,~/(~~,~ + ~N,N) . Thus our filter can be thought of as the square root of the Wiener filter. It is important to realize that although our derivation assumed additive Gaussian noise our system would not need to make any assumptions about the noise distribution. Instead our system would merely need to assume that the filter was linear and then would automatically obtain the "correct" result for the additive Gaussian noise case. We conjecture that the system might detect non-Gauusian noise by finding it impossible to get zero Kullback-Liebler distance with the linear ansatz. 6 Conclusion The goal of this paper was to introduce a Bayesian approach to self-organization using prior assumptions about the signal as an organizing principle. We argued that it was a natural generalization of the criterion of maximizing mutual information assuming spatial coherence (Becker and Hinton, 1992) . Using our principle it should be possible to self-organize Bayesian theories of vision, assuming that the priors are known, the network is capable of representing the appropriate functions and the learning algorithm converges. There will also be problems if the probability distributions of the true signal and the distractor are too similar . If the prior is not correct then it may be possible to detect this by evaluating the goodness of the Kullback-Leibler fit after learning 2. This suggests a strategy whereby the system increases the complexity of the priors until the Kullback-Leibler fit is sufficiently good (this is somewhat similar to an idea proposed by Mumford (Mumford, 1992)). This is related to the idea of competitive priors in vision (Clark and Yuille, 1990). One way to implement this would be for the prior probability itself to have a set of adjustable parameters that would enable it to adapt to different classes of scenes. We are currently (Yuille et aI, 1992) investigating this idea and exploring its relationships to Hidden Markov Models. Ways to implement the theory, using variants of stochastic learning, were described. We sketched the relation to Becker and Hinton . As an illustration of our approach we derived the filter that our criterion would give for filtering out additive Gaussian noise (possibly the only analytically tractable case). This had a very interesting relation to the standard Wiener filter. 2This is reminiscent of Barlow's suspicious coincidence detectors (Barlow, 1993), where we might hope to determine if two variables x & yare independent or not by calculating the Kullback-Leibler distance between the joint distribution P(x, y) and the product of the individual distributions P( x) P(y). 1007 1008 Yuille, Smirnakis, and Xu Acknowledgements We would like to thank DARPA for an Air Force contract F49620-92-J-0466. Conversations with Dan Kersten and David Mumford were highly appreciated. References J.J. Atick and A.N. Redlich. "Towards a Theory of Early Visual Processing". Neural Computation . Vol. 2, No.3, pp 308-320. Fall. 1990. H.B. Barlow. "What is the Computational Goal of the Neocortex?" To appear in: Large scale neuronal theories of the brain. Ed. C. Koch. MIT Press. 1993. S. Becker and G.E. Hinton. "Self-organizing neural network that discovers surfaces in random-dot stereograms". Nature, Vol 355. pp 161-163. Jan. 1992. J .J. Clark and A.L. Yuille. Data Fusion for Sensory Information Processing Systems. Kluwer Academic Press . Boston/Dordrecht/London. 1990. R. Held. "Visual development in infants". In The encyclopedia of neuroscience, vol. 2. Boston: Birkhauser. 1987. K. Hornik, S. Stinchocombe and H. White. "Multilayer feed-forward networks are universal approximators". Neural Networks 4, pp 251-257. 1991. D. Kersten, A.J. O'Toole, M.E . Sereno, D.C. Knill and J .A. Anderson. "Associative learning of scene parameters from images". Optical Society of America, Vol. 26, No. 23, pp 4999-5006. 1 December, 1987. D. Marr . Vision. W.H . Freeman and Company. San Francisco . 1982. D. Mumford. "Pattern Theory: a unifying perspective". Preprint. Harvard University. 1992. Dept. Mathematics K. Nakayama and S. Shimojo. "Experiencing and Perceiving Visual Surfaces". Science. Vol. 257, pp 1357-1363. 4 September. 1992. T. Poggio, V. Torre and C. Koch. "Computational vision and regularization theory" . Nature, 317, pp 314-319. 1985. A.L. Yuille, S.M. Smirnakis and L. Xu. "Bayesian Self-Organization". Harvard Robotics Laboratory Technical Report . 1992. PART IX SPEECH AND SIGNAL PROCESSING
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830 Invariant Object Recognition Using a Distributed Associative Memory Harry Wechsler and George Lee Zimmerman Department or Electrical Engineering University or Minnesota Minneapolis, MN 55455 Abstract This paper describes an approach to 2-dimensional object recognition. Complex-log conformal mapping is combined with a distributed associative memory to create a system which recognizes objects regardless of changes in rotation or scale. Recalled information from the memorized database is used to classify an object, reconstruct the memorized version of the object, and estimate the magnitude of changes in scale or rotation. The system response is resistant to moderate amounts of noise and occlusion. Several experiments, using real, gray scale images, are presented to show the feasibility of our approach. Introduction The challenge of the visual recognition problem stems from the fact that the projection of an object onto an image can be confounded by several dimensions of variability such as uncertain perspective, changing orientation and scale, sensor noise, occlusion, and non-uniform illumination. A vision system must not only be able to sense the identity of an object despite this variability, but must also be able to characterize such variability -- because the variability inherently carries much of the valuable information about the world. Our goal is to derive the functional characteristics of image representations suitable for invariant recognition using a distributed associative memory. The main question is that of finding appropriate transformations such that interactions between the internal structure of the resulting representations and the distributed associative memory yield invariant recognition. As Simon [1] points out, all mathematical derivation can be viewed simply as a change of representation, making evident what was previously true but obscure. This view can be extended to all problem solving. Solving a problem then means transforming it so as to make the solution transparent . We approach the problem of object recognition with three requirements: classification, reconstruction, and characterization. Classification implies the ability to distinguish objects that were previously encountered. Reconstruction is the process by which memorized images can be drawn from memory given a distorted version exists at the input. Characterization involves extracting information about how the object has changed from the way in which it was memorized. Our goal in this paper is to discuss a system which is able to recognize memorized 2-dimensional objects regardless of geometric distortions like changes in scale and orientation, and can characterize those transformations. The system also allows for noise and occlusion and is tolerant of memory faults. The following sections, Invariant Representation and Distributed Associative Memory, respectively, describe the various components of the system in detail. The Experiments section presents the results from several experiments we have performed on real data. The paper concludes with a discussion of our results and their implications for future research. ? American Institute of Physics 1988 831 1. Invariant Representation The goal of this section is to examine the various components used to produce the vectors which are associated in the distributed associative memory. The block diagram which describes the various functional units involved in obtaining an invariant image representation is shown in Figure 1. The image is complex-log conformally mapped so that rotation and scale changes become translation in the transform domain . Along with the conformal mapping, the image is also filtered by a space variant filter to reduce the effects of aliasing. The conformally mapped image is then processed through a Laplacian in order to solve some problems associated with the conformal mapping. The Fourier transform of both the conformally mapped image and the Laplacian processed image produce the four output vectors. The magnitude output vector I-II is invariant to linear transformations of the object in the input image. The phase output vector <1>2 contains information concerning the spatial properties of the object in the input image. 1.1 Complex-Log Mapping and Space Variant Filtering The first box of the block diagram given in Figure 1 consists of two components: Complex-log mapping and space variant filtering. Complex-log mapping transforms an image from rectangular coordinates to polar exponential coordinates. This transformation changes rotation and scale into translation. If the image is mapped onto a complex plane then each pixel (x,y) on the Cartesian plane can be described mathematically by z = x + jy. The complex-log mapped points ware described by w =In{z) =In(lzl} +jiJ z (1) Our system sampled 256x256 pixel images to construct 64x64 complex-log mapped images. Samples were taken along radial lines spaced 5.6 degrees apart. Along each radial line the step size between samples increased by powers of 1.08. These numbers are derived from the number of pixels in the original image and the number of samples in the complex-log mapped image. An excellent examination of the different conditions involved in selecting the appropriate number of samples for a complex-log mapped image is given in [2J. The non-linear sampling can be split into two distinct parts along each radial line. Toward the center of the image the samples are dense enough that no anti-aliasing filter is needed. Samples taken at the edge of the image are large and an anti-aliasing filter is necessary. The image filtered in this manner has a circular region around the center which corresponds to an area of highest resolution. The size of this region is a function of the number of angular samples and radial samples. The filtering is done, at the same time as the sampling, by convolving truncated Bessel functions with the image in the space domain. The width of the Bessel functions main lobe is inversely proportional to the eccentricity of the sample point. A problem associated with the complex-log mapping is sensitivity to center misalignment of the sampled image. Small shifts from the center causes dramatic distortions in the complex-log mapped image. Our system assumes that the object is centered in the image frame. Slight misalignments are considered noise. Large misalignments are considered as translations and could be accounted for by changing the gaze in such a way as to bring the object into the center of the frame. The decision about what to bring into the center of the frame is an active function and should be determined by the task. An example of a system which could be used to guide the translation process was developed by Anderson and Burt [3J. Their pyramid system analyzes the input image at different tem- 00 c..:> ~ Inverse Processing and Reconstruction . Image ~ I Compl".lo, Mapping and Space Variant Filtering I I I ~-?-FO",i" II ' 1ransform I 2 -1-1 I I -~ Laplacian Fourier Transform 2 _~I Distributed Associative Memory ~ Rotation and Scale Estimation I-II Classification Figure 1. Block Diagram of the System. 833 poral and spatial resolution levels. Their smart sensor was then able to shift its fixation such that interesting parts of the image (ie . something large and moving) was brought into the central part of the frame for recognition . 1.2 Fourier Transform The second box in the block diagram of Figure 1 is the Fourier transform. The Fourier transform of a 2-dimensional image f(x,y) is given by F(u,v) = j j f(x,y)e-i(ux+vy) dx dy (2) -00 -00 and can be described by two 2-dimensional functions corresponding to the magnitude IF(u,v)1 and phase <l>F(u,v). The magnitude component of the Fourier trans~rm which is invariant to translatIOn, carries much of the contrast information of the image . The phase component of the Fourier transform carries information about how things ar} placed in an image. Translation of f(x,y) corresponds to the addition of a linear phase cpmponent. The complex-log mapping transforms rotation and scale into translation and tije magnitude of the Fourier transform is invariant to those translations so that I-II ivill not change significantly with rotation and scale of the object in the image . 1.3 Laplacian The Laplacian that we use is a difference-of-Gaussians (DOG) approximation to the function as given by Marr [4). 'V 2G 2 2 =h [1 - r2/2oo 2) e{ -r /200 } (3) '1rtT The result of convolving the Laplacian with an image can be viewed as a two step process. The image is blurred by a Gaussian kernel of a specified width oo. Then the isotropic second derivative of the blurred image is computed. The width of the Gaussian kernel is chosen such that the conformally mapped image is visible -- approximately 2 pixels in our experiments. The Laplacian sharpens the edges of the object in the image and sets any region that did not change much to zero. Below we describe the benefits from using the Laplacian. The Laplacian eliminates the stretching problem encountered by the complex-log mapping due to changes in object size. When an object is expanded the complex-log mapped image will translate . The pixels vacated by this translation will be filled with more pixels sampled from the center of the scaled object. These new pixels will not be significantly different than the displaced pixels so the result looks like a stretching in the complex-log mapped image . The Laplacian of the complex-log mapped image will set the new pixels to zero because they do not significantly change from their surrounding pixels. The Laplacian eliminates high frequency spreading due to the finite structure of the discrete Fourier transform and enhances the differences between memorized objects by accentuating edges and de-emphasizing areas of little change. 2. Distributed Associative Memory (DAM) The particular form of distributed associative memory that we deal with in this paper is a memory matrix which modifies the flow of information. Stimulus vectors are associated with response vectors and the result of this association is spread over the entire memory space . Distributing in this manner means that information about a small portion of the association can be found in a large area of the memory. New associations are placed 834 over the older ones and are allowed to interact. This means that the size of the memory matrix stays the same regardless of the number of associations that have been memorized. Because the associations are allowed to interact with each other an implicit representation of structural relationships and contextual information can develop, and as a consequence a very rich level of interactions can be captured. There are few restrictions on what vectors can be associated there can exist extensive indexing and cross-referencing in the memory. Distributed associative memory captures a distributed representation which is context dependent. This is quite different from the simplistic behavioral model [5]. The construction stage assumes that there are n pairs of m-dimensional vectors that are to be associated by the distributed associative memory. This can be written as "l.K:::+. IV~ 1 = -r. 1 ~or 1? I' = 1 , ... ,n (4) -d h ?th stlmu . I us vector an d -d h .th correspon d?mg response Vech were s. enotes tel r. enotes tel tor. W~ want to construct a memory matrix M such that when the kth stimulus vector S; is projected onto the space defined by M the resulting projection will be the corresponding More specifically we want to solve the following equation: response vector r;. (5) MS=R - 11 s2 11 ? ??11 ? ? ~ S = [ s1 h were S ] an d R = [ -r 1 11 -r 2 11 ???11 r]. A umque soIutlOn lor t h?IS equation does not necessarily n exist for any arbitrary gr~up of associations that might be chosen. Usually, the number of associations n is smaller than m, the length of the vector to be associated, so the system of equations is underconstrained. The constraint used to solve for a unique matrix M is that of minimizing the square error, IIMS - RJ1 2, which results in the solution (6) where S+ is known as the Moore-Penrose generalized inverse of S [6J. The recall operation projects an unknown stimulus vector M. The resulting projection yields the response vector r r =Ms s onto the memory space (7) If the memorized stimulus vectors are independent and the unknown stimulus vector s is one of the memorized vectors then the recalled vector will be the associated response If the memorized stimulus vectors are dependent, then the vector recalled by vector one of the memorized stimulus vectors will contain the associated response vector and some crosstalk from the other stored response vectors. r;. S;, The recall can be viewed as the weighted sum of the response vectors. The recall begins by assigning weights according to how well the unknown stimulus vector matches with the memorized stimulus vector using a linear least squares classifier. The response vectors are multiplied by the weights and summed together to build the recalled response vector. The recalled response vector is usually dominated by the memorized response vector that is closest to the unknown stimulus vector. Assume that there are n associations in the memory and each of the associated stimulus and response vectors have m elements. This means that the memory matrix has m 2 elements. Also assume that the noise that. is added to each element of a memorized 835 stimulus vector memory is then IS independent, Zero mean, with a variance of O'~ The recall from the 1 (8) where tt is the input noise vector and t1 is the output noise vector. The ratio of the average output noise variance to the averagg input noise variance is 0'2o/0'.12 1 [MMT] = -Tr m (9) For the autoassociative case this simplifies to (10) This says that when a noisy version of a memorized input vector is applied to the memory the recall is improved by a factor corresponding to the ratio of the number of memorized vectors to the number of elements in the vectors. For the heteroassociative memory matrix a similar formula holds as long as n is less than m [7]. (11) Fault tolerance is a byproduct of the distributed nature and error correcting capabilities of the distributed associative memory. By distributing the information, no single memory cell carries a significant portion of the information critical to the overall performance of the memory. 3. Experiments In this section we discuss the result of computer simulations of our system. Images of objects are first preprocessed through the sUbsystem outlined in section 2. The output of such a subsystem is four vectors: I-I , <1>1' 1-1 2, and <1>2' We construct the memory by associating the stimulus vector I-II with ?he response vector <1>2 for each object in the database. To perform a recall from the meJIlory the.. unknown image is preprocessed by the same_subsystem to produce the vectors I-II' <1>1' 1-12, and <1>2' The resulting stimulus vector I-I is projected onto the m~mory matrix to produce a respOJlse vector which is an ~stimatel of the memorized phase <1>2' The estimated phase vector cI> 2 and the magnitude I-II ate used to reconstruct the memorized object. The difference between the estimated phase <1>2 and the unknown phase <1>2 is used to estimate the amount of rotation and scale experienced by the object. The database of images consists of twelve objects: four keys, four mechanical parts, and four leaves. The objects were chosen for their essentially two-dimensional structure. Each object was photographed using a digitizing video camera against a black background. We emphasize that all of the images used in creating and testing the recognition system were taken at different times using various camera rotations and distances. The images are digitized to 256x256, eight bit quantized pixels, and each object covers an area of about 40x40 pixels. This small object size relative to the background is necessary due to the non-linear sampling of the complex-log mapping. The objects were centered within the frame by hand. This is the source of much of the noise and could have been done automatically using the object's center of mass or some other criteria determined by the task. The orientation of each memorized object was arbitrarily chosen such that their major axis 836 was vertical. The 2-dimensional images that are the output from the invariant representation subsystem are scanned horizontally to form the vectors for memorization. The database used for these experiments is shown in Figure 2. Figure 2. The Database of Objects Used in the Experiments a) Original b) Unknown c) Recall: rotated 135? d) Memory:6 SNR: -3.37 Db Figure 3. :Recall Using a Rotated and scaled key The first example of the operation of our system is shown in Figure 3. Figure 3a) is the image of one of the keys as it was memorized. Figure 3b) is the unknown object presented to our system. The unknown object in this caSe is the same key that has been rotated by 180 degrees and scaled. Figure 3c) is the recalled, reconstructed image. The 837 rounded edges of the recalled image are artifacts of the complex-log mapping. Notice that the reconstructed recall is the unrotated memorized key with some noise caused by errors in the recalled phase. Figure 3d) is a histogram which graphically displays the classification vector which corresponds to S+S. The histogram shows the interplay between the memorized images and the unknown image. The" 6" on the bargraph indicates which of the twelve classes the unknown object belongs. The histogram gives a value which is the best linear estimate of the image relative to the memorized objects. Another measure, the signal-to-noise ratio (SNR), is given at the bottom of the recalled image. SNR compares the variance of the ideal recall after processing with the variance of the difference between the ideal and actual recall. This is a measure of the amount of noise in the recall. The SNR does not carry rr.uch information about the q"Jality of the recall image because the noise measured by the SNP.. is jue to many factors such as misalignment of the center, changing reflections, and dependence between other memorized objects -- each affecting. quality in a variety of ways. Rotation and scale estimate~ are made using a vector_ D corresponding to the dlll'erence between the unknown vector <1>2 and the recalled vector <I> 2' In an ideal situation D will be a plane whose E;radient indicates the exact amount of r:.otation and scale the recalled object has experienced. In our system the recalled vector <I> 2 is corrupted with noise which means rotation...and scale have to be estim:ned. The estimate is made by letting the first order difference D at each point in the plane vote for a specified range of rotation or scale. a) Original b) Unknown c) Recall d) Memory:4 Figure 4 Recall Using Scaled and Rotated" S" with Occlusion Figure 4 is an example of occlusion. The unknown object in this case is an "s" curve which is larger and slightly tilted from the memorized "s" curve. A portion of the bottom curve was occluded. The resulting reconstruction is very noisy but has filled in the missing part of the bottom curve. The noisy recall is reflected in both the SNR and the interplay betw~en the memories shown by the hi~togram. a) Ideal recall b) 30% removed c) 50% removed d) 75% removed Figure 5. Recall for Memory Matrix Randomly Set to Zero Figure 5 is the result of randomly setting the elements of the memory matrix to 838 zero. Figure 5a) shows is the ideal recall. Figure 5b) is the recall after 30 percent of the memory matrix has been set to zero. Figure 5c) is the recall for 50 percent and Figure 5d) is the recall for 75 percent. Even when 90 percent of the memory matrix has been set to zero a faint outline of the pin could still be seen in the recall. This result is important in two ways. First, it shows that the distributed associative memory is robust in the presence of noise. Second, it shows that a completely connected network is not necessary and as a consequence a scheme for data compression of the memory matrix could be found. 4. Conclusion In this paper we demonstrate a computer vIsIon system which recognIzes 2dimensional objects invariant to rotation or scale. The system combines an invariant representation of the input images with a distributed associative memory such that objects can be classified, reconstructed, and characterized. The distributed associative memory is resistant to moderate amounts of noise and occlusion. Several experiments, demonstrating the ability of our computer vision system to operate on real, grey scale images, were presented. Neural network models, of which the di~tributed associative memory is one example, were originally developed to simulate biological memory. They are characterized by a large number of highly interconnected simple processors which operate in p2..rallel. An excellent review of the many neural network models is given in [8J. The distrib-uted associative memory we use is linear, and as a result there are certain desirable properties which will not be exhibited by our computer vision system. For example, feedback through our system will not improve recall from the memory. Recall could be improved if a non-linear element, such as a sigmoid function, is introduced into the feedback loop. Non-linear neural networks, such as those proposed by Hopfield [9] or Anderson et. al. [10J, can achieve this type of improvement because each memorized pattern js associated with sta~le points in an energy space. The price to be paid for the introduction of non-linearities into a memory system is that the system will be difficult to analyze and can be unstable. Implementing our computer vision system using non-linear distributed associative memory is a goal of our future research. We are presently extending our work toward 3-dimensional object recognition. Much of the present research in 3-dimensional object recognition is limited to polyhedral, nonoccluded objects' in a clean, highly controlled environment. Most systems are edge based and use a generate-and-test paradigm to estimate the position and orientation of recognized objects. We propose to use an approach based on characteristic views [llJ or aspects [12J which suggests that the infinite 2-dimensional projections of a 3-dimensional object can be grouped into a finite number of topological equivalence classes. An efficie:.t 3dimensional recognition system would require a parallel indexing method to search for object models in the presence of geometric distortions, noise, and occlusion. Our object recognition system using distributed associative memory can fulfill those requirements with respect to characteristic views. Referenees [lJ Simon, H. A., (1984), The Seienee of the Artifldal (2nd ed.), MIT Press. [2J Massone, L., G. Sandini, and V. Tagliasco (1985), "Form-invariant" topological mapping strategy for 2D shape recognition, CVGIP, 30, 169-188. [3J Anderson, C. H., P. J. Burt, and G. S. Van Der Wal (1985), Change detection and tracking using pyramid transform techniques, Proe. of the SPIE Conferenee on Intelligenee, Robots, and Computer Vision, Vol. 579, 72-78. 839 Marr, D. (1982), Vision, W. H. Freeman, 1982. Hebb, O. D. (1949), The Organization of Behavior, New York: Wiley. Kohonen, T. (1984), Self-Organization and Associative-Memories, Springer-Verlag. Stiles, G. S. and D. L. Denq (1985), On the effect of noise on the Moore-Penrose generalized inverse associative memory, IEEE Trans. on PAMI, 7, 3,358-360. [8J MCClelland, J. L., and D . E. Rumelhart, and the PDP Research Group (Eds.) (1986), Parallel Distributed, Processing, Vol. 1, 2, MIT Press. [9] Hopfield, J. J. (1982), Neural networks and physical systems with emergent collective computational abilities, Proc. Natl. Acad. Sci. USA, 79, April 1982. [10J Anderson, J. A., J. W. Silversteir., S. A. Ritz, and R. S. Jones (1977), Distinctive features, categorical perception, and probability learning: some applications of a neural model, Psychol. Rev., 84,413-451. [11] Chakravarty, I., and H. Freeman (1982), Characteristic views as a basis for 3-D object recognition, Proc. SPIE on Robot Vision, 336,37-45. [12] Koenderink, J. J., and A . J . Van Doorn (1979), Internal representation of solid shape with respect to vision, Bioi. Cybern., 32,4,211-216. [4] [5] [6J [7]
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A Hybrid Radial Basis Function Neurocomputer and Its Applications Steven S. Watkins ECE Department Paul M. Chau ECE Department UCSD La Jolla. CA. 92093 UCSD La Jolla, CA. 92093 Raoul Tawel JPL Caltech Pasadena. CA. 91109 Bjorn Lambrigtsen JPL Caltech Pasadena. CA. 91109 Mark Plutowski CSE Department UCSD La Jolla. CA. 92093 Abstract A neurocomputer was implemented using radial basis functions and a combination of analog and digital VLSI circuits. The hybrid system uses custom analog circuits for the input layer and a digital signal processing board for the hidden and output layers. The system combines the advantages of both analog and digital circuits. featuring low power consumption while minimizing overall system error. The analog circuits have been fabricated and tested, the system has been built, and several applications have been executed on the system. One application provides significantly better results for a remote sensing problem than have been previously obtained using conventional methods. 1.0 Introduction This paper describes a neurocomputer development system that uses a radial basis function as the transfer function of a neuron rather than the traditional sigmoid function. This neurocOOlputer is a hybrid system which has been implemented with a combination of analog and digital VLSI technologies. It offers the low-power advantage of analog circuits operating in the subthreshold region and the high-precision advantage of digital circuits. The system is targeted for applications that require low-power operation and use input data in analog form, particularly remote sensing and portable computing applications. It has already provided significantly better results for a remote sensing 850 A Hybrid Radial Basis Function Neurocomputer and Its Applications ,--- ---- NEURON - --- -- - - (c I k - 'k) '0 2 :E - Yo EXPONENTlAL '- MULTlPL Y AND ACCUMULATE 'NPUTS Figure I: Radial Basis Function Network NEURoN [~ Figure 2: Mapping of RBF Network to Hardware Analog Board = = PC Figure 3: The RBF Neurocomputer Development System 851 852 Watkins, Chau, Tawel, Lambrigsten, and Plutowski climate problem than have been previously obtained using conventional methods. Figure 1 illustrates a radial basis functioo (RBF) network. Radial basis functions have been used to solve mapping and function estimation problems with positive results (Moody and Darken. 1989; Lippman, 1991). When coupled with a dynamic neuron allocation algorithm such as Platt's RANN (platt. 1991). RBF networks can usually be trained much more quickly than a traditional sigmoidal. back-propagation network. RBF networlcs have been implemented with completely-analog (platt, Anderson and Kirk. 1993), c<mpletely-digital (Watkins. Chau and Tawel, Nov.? 1992). and with hybrid analogi digital approaches (Watkins. Chau and Tawel, Oct., 1992). The hybrid approach is optimal for applications which require low power consumption and use input data that is naturally in the analog domain while also requiring the high precision of the digital domain. 2.0 System Architecture and Benefits Figure 2 shows the mapping of the RBF network to hardware. Figure 3 shows the neurocomputer development system. The system consists of a PC controller, a DSP board with a Motorola 56000 DSP chip and a board with analog multipliers. The benefits of the hybrid approach are lower-cost parallelism than is possible with a completely-digital system, and more precise computation than is possible with a completely-analog system. The parallelism is available for low cost in terms of area and power, when the inputs are in the analog domain. When comparing a single analog multiplier to a 100bit fixed point digital multiplier, the analog cell uses less than one-quarter the area and approximately five orders of magnitude less power. When comparing an array of analog multipliers to a Motorola 56000 DSP chip, 1000 Gilbert multipliers can fit in an area about half the size of the DSP chip, while consuming .003% of the power. The restriction of requiring analog inputs is placed on the system. because if the inputs were digital, the high cost of D to A conversion would remove the low cost benefit of the system. lbis restriction causes the neurocomputer to be taIgeted for applications using inputs that are in the analog domain, such as remote sensing applications that use microwave or infrared sensors and speech recognitioo applications that use analog filters. The hybrid system reduces the overall system error when compared with a completelyanalog solution. The digital circuits compute the hidden and output layers with 24 bits of precision while analog circuits are limited to about 8 bits of precision. Also the RANN algorithm requires a large range of width variatioo for the Gaussian function and this is more easily achieved with digital computation. Completely analog solutions to this problem are severely limited by the voltage rails of the chip. 3.0 Circuits Several different analog circuit approaches were explored as possible implementations of the network. Mter the dust settled, we chose to implement only the input layer with analog circuits because it offers the greatest opportunity for parallelism, providing parallel performance benefits at a low cost in terms of area and power. The input layer requires more than 0 UP) computations (where N is the number of neurons). while the hidden and output layers require only 0 (N) computations (because there is one hidden layer computatioo per neuron and the number of outputs is either one or very small). A Hybrid Radial Basis Function Neurocomputer and Its Applications The analog circuits used in the input layer are Gilbert multipliers (Mead. 1989). 'The circuits were fabricated with 2.0 micron. double-poly, P-well. CMOS technology. The Gilbert cell performs the operation of multiplying two voltage differences: (Vi-V2)x(V3V4). In this system. Vi =V3 and V2=V4. which causes the circuit to compute the square of the difference between a stored weight and the input. The current outputs of the Gilbert cells in a row are wired together to sum their currents. giving a sum of squared errors. This current is converted to a voltage. fed to an A to D converter and then passed to the DSP board where the hidden and output layers are computed. The radial basis function (Gaussian) of the hidden layer is computed by using a lookup table. The system uses the fast multiply/accumulate operation of the DSP chip to compute the output layer. 4.0 Applications The low-power feature of the hybrid system makes it attractive for applications where power consumption is a prime consideration, such as satellite-based applications and portable computing (using battery power). The neurocomputer has been applied to three problems: a remote sensing climate problem. the Mackey-Glass chaotic time series estimation and speech phoneme recognitim. The remote sensing application falls into the satellite category. The Mackey-Glass and speech recognition applications are potentially portable. Systems fa these applications are likely to have inputs in the analog domain (eliminating the need for D to A conversion. as already discussed) making it feasible to execute them on the hybrid neurocomputer. 4.1 The Remote Sensing Application The remote sensing problem is an inverse mapping problem that uses microwave energy in different bands as input to predict the water vapor content of the atmosphere at different altitudes. Water vapor content is a key parameter for predicting weather in the tropics and mid-latitudes (Kakar and Lambrigtsen. 1984). The application uses 12 inputs and 1 output. The system input is naturally in analog form. the result of amplified microwave signals, so no D to A conversion of input data is required. Others have used neural networks with success to perform a similar inverse mapping to predict the temperature gradient of the atmosphere CMotteler et al .. 1993). Section 5 details the improved results of the RBF network over conventional methods. Since water vapor content is a very important compment of climate models. improved results in predicted water vapor content means improved climate models. Remote sensing problems require satellite hardware where power consumptim is always a major constraint.The low-power nature of the hybrid network would allow the network to be placed on board a satellite. With future EOS missions requiring several thousand sensors. the on-board network would reduce the bandwidth requirements of the data being sent back to earth. allowing the reduced water vapor content data to be transmitted rather than the raw sensor data. This data bandwidth reduction could be used either to send back more meaningful data to further improve climate models. or to reduce the amount of data transmitted. saving energy. 4.2 The Mackey-Glass Application The Mackey-Glass chaotic time series application uses several previous time sample values to predict the current value of a time series which was generated by the MackeyGlass delay-difference equation. It was used because it has proved to be difficult for 853 854 Watkins, Chau, Tawel, Lambrigsten, and Plutowski sigmoidal neural networks (platt. 1991). The applicatioo uses 4 inputs and 1 output. The Mackey-Glass time series is representative of time series found in medical applications such as detecting arrhythmias in heartbeats. It could be advantageous to implement this application with portable hardware. 4.3 The Speech Phoneme Recognition Application The speech phoneme recognition problem used the same data as Waibel (Waibel et ai.? 1989) to learn to recognize the acoustically similar phonemes of b. d and g. The application uses 240 inputs and 3 outputs. The speech phoneme recognition problem represents a sub problem of the more difficult continuous speech recognition problem. Speech recognition applications also represent opportunities for portable computing. 5.0 Results 5.1 The Remote Sensing Application Using the RBF neural network 00 the remote sensing climate problem produced significantly better results than had been previously obtained using conventional statistical methods (Kakar and Lambrigtsen. 1984). The input layer of the RBF network was implemented in two different ways: 1) it was simulated with 32-bit floating point precision to represent a digital input layer. and 2) it was implemented with the analog Gilbert multipliers as the input layer. Both implementations produced similar results. At an altitude corresponding to 570 mb pressure, the RBF neural network with a digital input layer produced results with .33 absolute rms error vs. .42 rms error for the best results using conventional methods. This is an improvement of 21 %. Figure 4 shows the plot of retrieved vs. actual water vapor content for both the RBF network and the conventional method. Using the hybrid neurocomputer with the analog input layer for the data at 570 mb pressure produced results with .338 rms error. This is an improvement of 19.5% over the conventional method. Using the analog input layer produced nearly as much improvement as a completely-digital system. demonstrating the feasibility of placing the network on board a satellite. Similar results were obtained for other altitudes. The RBF network also was compared to a sigmoidal network using back propagation learning enhanced with line-search capability (to automatically set step-size). Both networks used eight neurons in the hidden layer. As Figure 5 shows. the RBF network learned much faster than the sigmoidal network. 6 --~-.~ --/ , Key ' o - neural network /' 0 + + _ startatical method f.. + ::c o J!I ! ] ] .;! fit- + 0 + 0.- 0 0 2 6 Act??1 Specific l/...,td,1y Figure 4: Comparison of Retrieved vs. Actual Water Vapor Content for 570 mb Pressure for RBF Network and Conventional Statistical Method A Hybrid Radial Basis Function Neurocomputer and Its Applications ------~- 11 09 solid _ r bl software daahed - rbl analog hardware dotted - sigmoid b.IiCkprop ~08 ~0.7 06 05 '_ o4 03 -----=-.::..::.~-:.~ ~-::...:..~_- ------____ . ___ ---;-?-2--3"4 5 e -7 8 ..L...- 9 number 01 passes through training patter!'!s Figure 5: Comparison of Learning Curves for RBF and Sigmoidal Networks for Water Vaptt Application 03 - -- - , - - , - - - - - , . - - , ---,-,- - , - -Key' solid _ rbl software dashed - rbl analog hardware dotted - Sigmoid b.Iickprop 025 . 02 ~O 15 ? .... .. .. ..... . ...... ............. . .. ., .. .. ..... ..... .... ..... . 01 \ ... - .... - ..... ~ ........ --- .... .,-- " .. . . ,. ........ %~-~ 0'5~~; ?--~1~ 5--~2~~2.5~-73--~3~.5--~4 number 01 paaaes through training patterns x 10. Figure 6: Comparison of Learning Curves for RBF and Sigmoidal Networks for MackeyGlass Application 5.2 The Mackey-Glass Application The RBF network was not compared to any non-neural network method for the MackeyGlass time series estimation. It was only compared to a traditional sigmoidal networlc using back propagation learning enhanced with line search. Both networks used four neurons. As Figure 6 shows. applying the RBF neural network to the Mackey-Glass chaotic time series estimation produced much faster learning than the sigmoidal network. The RBF network with a digital input layer and the RBF hybrid network with an analog input layer both produced similar results in dropping to an rms error of about .025 after only 5 minutes of training on a PC using a 486 CPU. Using the digital input layer. the RBF network reached a minimum absolute rms error of .017. while the sigmoidal network reached a minimum absolute rms error of .025. This is an improvement of 32% over the sigmoidal network. Using the hybrid neurocomputer with the analog input layer produced a minimum absolute rms error of .022. This is an improvement of 12% over the sigmoidal network 855 856 Watkins, Chau, Tawel, Lambrigsten, and Plutowski 5.3 The Speech Phoneme Recognition Application The RBF network was not compared to any non-neural network method for the speech phooeme recognition problem. It was only compared to Waibel's Tme Delay Neural Network (IDNN) (Waibel et al .. 1989). The IDNN uses a topology matched to the timevarying nature of speech with two hidden layers of eight and three neurons respectively. The RBF network used a single hidden layer with the number of neurons varying between eight and one hundred. The IDNN achieved a 98% accuracy on the test set discriminating between the phooemes b. d and g. The RBF network achieved over 99% accuracy in training. but was only able to achieve an 86% accuracy on the test set. To obtain better results. it is clear that the topology of the RBF network needs to be altered to more closely match Waibel's IDNN. However. this topology will complicate the VLSI implementation. 5.4 The Feasibility of Using the Analog Input Layer One potential problem with using an analog input layer is that every individual hybrid RBF neurocomputer might need to be trained on a problem. rather than being able to use a common set of weights obtained from another RBF neurocomputer (which had been previously trained). This potential problem exists because every analog circuit is unique due to variation in the fabrication process. A set of experiments was designed to test this possibility. The remote sensing application and the Mackey-Glass application were trained and tested two different ways: 1) hardware-trainedlhardware-tested. that is. the analog input layer was used for both training and testing; 2) software-trainedlhardware-tested. that is the analog input layer was simulated with 32-bit floating point precision for training and then the analog hardware was used for testing . .The hardwarelhardware results provided a benchmark. The softwarelhardware results demonstrated the feasibility of having a standard set of weights that are not particular to a given set of analog hardware. For both the remote sensing and the Mackey-Glass applications. the rms error performance was only slightly degraded by using weights learned during software simulation. The remote sensing results degraded by only .Oll in terms of absolute rms error. and the MackeyGlass results degraded by only .002 in terms of absolute rms error. The results of the experiment indicate that each individual hybrid RBF neurocomputer only needs to be calibrated. not trained. 6.0 Conclusions A low-power. hybrid analog/digital neurocomputer development system was constructed using custom hardware. The system implements a radial basis function (RBF) network and is targeted for applications that require low power consumption and use analog data as their input. particularly remote sensing and portable applications. Several applications were executed and results were obtained for a remote sensing application that are superior to any previous results. Comparison of the results of a completely-digital simulation of the RBF network and the hybrid analog/digital RBF network demonstrated the feasibility of the hybrid approach. A Hybrid Radial Basis Function Neurocomputer and Its Applications Acknowledgments The research described in this paper was performed at the Center for Space Microelectronics Technology. Jet Propulsion Laboratory. California Institute of Technology, and was sponsored by the National Aerooautics and Space Admjnjstration. One of the authors. Steven S. Watkins. acknowledges the receipt of a Graduate Student Researcher's Center Fellowship from the Natiooal Aeronautics and Space Administration. Useful discussions with Silvio Eberhardt, Roo Fellman. Eric Fossum. Doug Kerns. Fernando Pineda, John Platt, and Anil Thakoor are also gratefully acknowledged. References Ramesh Kakar and Bjorn Lambrigtsen. "A Statistical Correlation Method for the Retrieval of Atmospheric Moisture Profiles by Microwave Radiometry," Journal of Climate and Applied Meteorology. vol. 23, no. 7. July 1984, pp. 1110-1114. R. P. Lippman. "A Critical Overview of Neural Network Pattern Oassifiers." Proceedings of the IEEE Neural Networks for Signal Processing Workshop, 1991, Princeton. NJ.? pp. 266-275. Carver Mead, Analog VLSI and Neural Systems. Addison-Wesley. 1989, pp. 90-94. J. Moody and C. Darken. "Fast Learning in Networks of Locally-Tuned Processing Units," Neural Computation, vol. 1. no. 2, Summer 1989. pp. 281-294. Howard Motteler, lA. Gualtieri. LL. Strow and Larry McMillin. "Neural Networks for Atmospheric Retrievals," NASA Goddard Conference on Space Applications of Artificial Intelligence. 1993, pp. 155-167. John Platt, "A Resource-Allocating Neural Network for Function Interpolation," Neural Computation, vol. 3. no. 2, Summer 1991, pp. 213-225. John Platt. Janeen Anderson and David B. Kirk. "An Analog VLSI Qrip for Radial Basis Functions," NIPS 5. 1993, pp. 765-772. Alexander Waibel. T. Hanazawa. G. Hinton. K. Shikano and K. Lang. "Phoneme Recognition Using Tune-Delay Neural Networks." IEEE International Conference on Acoustics, Speech and Signal Processing, May 1989, pp. 393-404. Steve Watkins, Paul Chau and Raoul Tawel. "A Radial Basis Functioo Neurocomputer with an Analog Input Layer." Proceedings of the IJCNN, Beijing. China. November 1992. pp. ill 225-230. Steve Watkins. Paul Chau and Raoul Tawel, "Different Approaches to Implementing A Radial Basis Function Neurocomputer." RNNSIlEEE Symposium on Neuroinformatics and Neurocomputing. Rostov-on-Don. Russia. October 1992, pp. 1149-1155. 857
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Generalization Error and The Expected Network Complexity Chuanyi Ji Dept. of Elec., Compt. and Syst Engl' . Rensselaer Polytechnic Inst.itu( e Troy, NY 12180-3590 [email protected] Abstract For two layer networks with n sigmoidal hidden units, the generalization error is shown to be bounded by O(E~) l N) K + O( (EK)d N og , where d and N are the input dimension and the number of training samples, respectively. E represents the expectation on random number K of hidden units (1 :::; I\ :::; n). The probability Pr(I{ = k) (1 :::; k :::; n) is (kt.erl11ined by a prior distribution of weights, which corresponds to a Gibbs distribtt! ion of a regularizeI'. This relationship makes it possible to characterize explicitly how a regularization term affects bias/variance of networks. The bound can be obtained analytically for a large class of commonly used priors. It can also be applied to estimate the expected net.work complexity Ef{ in practice. The result provides a quantitative explanation on how large networks can generalize well . 1 Introduction Regularization (or weight-decay) methods are widely used in supervised learning by adding a regularization term t.o an energy function. Although it is well known that such a regularization term effectively reduces network complexity by introducing more bias and less variance[4] to the networks, it is not clear whether and how the information given by a regularization term can be used alone to characterize the effective network complexity and how the estimated effective network complexity relates to the generaliza.tion error . This research attempts to provide answers to t.hese questions for two layer feedforward networks with sigmoidal hidden units. 367 368 Ji Specifically) the effective network complexity is ch(lJ'act.erized by the expected nUI11bel' of hidden units determined by a Gibbs dist.ribution corresponding to a regula L'ization tenl1. The generalization error can then be bounded by the expected network complexity) and thus be tighter than the original bound given by Barron[2]. The new bound shows explicitly) through a bigger approximation error and a smaller estimation error I how a regularization term introduces more bias and less varia nce to the networks. It therefore provides a quantitative explanation on how a network larger than necessary can also generalize well under certain conditions) which can not be explained by the existing learning theory[9]. For a class of commonly-used regularizers) the expecced network complexity can be obtained in a closed form. It is then used to estimate the expected network complexity for Gaussion mixture model[6]. Background and Previous Results 2 A relationship has been developed by Barron[2] between generalization error and network complexity for two layer net.works used for function approximation. "Ve will briefly describe this result in this section and give our extension subsequently. Consider a class of two layer networks of fixed architecture with n sigmoidal hidden units a.nd one (linear) output unit. Let fn(x; w) = twF)91(wP)T x) be a n eiW01'k 1=1 wP) function) where wEen is the network weight vcctor comprising both Wf2) and for 1 ::; l ::; n. w}l) and W}2) are the incoming weights to the l-th hidden unit and the weight from the l-th hidden unit to the output) respectively. en ~ Rn(d+1) is t.he weight space for n hidden unit.s (and input dimension d) . Each sigmoid unit !JI(Z) is assumed to be of tanh type: !J/(z) --+ ?1 as z --+ ?oo for 1 ::; I :S n 1. The input is xED ~ Rd. '''' ithout loss of generality) D is assumed to be a unit hypercube in R d ) i.e.) all the components of x are in [?-1) 1]. Let f( x) be a target function defined in the sa.me domain D and satisfy some smoot.hness conditions [2]. Consider N training samples independently drawn from some distribution p(:/.:): (x1)f(:I:1)), ... ) (xN)f(;t.v)). Define an energy function e) where e = f1 + A LTI.~~(1U) . Ln ,N(W) is a regularization term as a function of tv for a. fixed II . A is a const.ant. . C1 is a quadratic error function on N training lV samples : e1 = J: i=l 'L,(fn(Xi;W) - function such t.hat 'ttl ') f(Xi)t? Let fll,l'.,r(x;-t'iJ) be t.he (optimal) network . minimizes t.he energy function e: tV = arg min e. The gen- = wEen = eralization error Eg is defined to be the squared L'2 norm E9 Ell f - fn,N 112 EJU(x) - fn,N(X; w))2dp(x)) where E is the expectation over all training sets of D size N drawn from the same distributioll. Thus) the generalization error measnres the mean squared distance between the unknown function an' I the best network function that can be obtained for training sets of size N . The generalization error 1 In the previous ,\'ork by Barron) t.he sigmoillal hidden units atC' '1,( ~)+1. It is easy t.o show that his results are applica.ble to the class of .t!1(Z))S we consider h;re. Generalization Error and the Expected Network Complexity Eg is shown[2] to be bounded as Eg ::; O(Rn,N), (1) where Rn ,N, called the index of resol vability [2], can be expressed as Rn ,N = min wEen {II .f _ in 112 + Ln,~( tv)}, (2) where III is the clipped fn(x; tv) (see [2]). The index of resolvability can be further bounded as Rn,N :::; O(~) + O(',~~logN). Therefore, the generalization error IS bounded as 1 E!! :::; 0(;;) + O( nd N logN), (3) where O(~) and 0(';1 logN) are t.he bounds for approxima.tion error (bia.s) and esti ;:l.lnt.ion error (varia.nce), respectively. In addition, t.he hOllnd for E9 can be minimized if all additional regularization term LN (71) is used in the energy function to minimize the number of hidden units, i.e., r=N Eg :::; O( V dlogN ). 3 Open Questions and Motivations Two open questions, which can not be answered by the previous result, are of the primary interest of this work. I) How do large networks generalize? The largc networks refer to those wit.h a rat.io ~~ to he somewhat big, where TV and N are the t.ot.al number of independent.ly modifiable weights (lV ~ nel, for 11 lcugc) and the number of training samples, respectively. Networks tra.ined with reglll<Hization t.erms may fall int.o this category. Such large networks are found (0 Jw abk to gen eralize well sometimes. JImH'H'J', when '~~{ is big, the bonnel in Eqll ahon (~:l) is t.oo loose t.o bOllnd the actual generaliza t.ion error meaningfully. Therefme. for the large networks, the tot.al number of hidden ullits n ma.y no longer be a. good est.imate for network complexity. Efforts have been made to develop measures on effective net.work complexity both analytically and cmpirically[1][5][10] . These measures depend on training data as well as a regularization term in an implicit way which make it difficult to see direct. effects of a regulariza.tion term on generaliza.tion error. This naturally leads t.o our second question. 2) Is it possible to characterize network complexit.y for a cLI~~ of networks using only the information given by a regularizat.ion term:!? How t.o relat.e the estimated network complexity rigorously with generalization error? In practice, when a regularization term (L I1 .N(W)) is used to penalize the m;l~llitude of weights, it effectively minimizes the number of hidden units as ,,,,'ell even til' '1lgb a.n additional regularization term LN(n) is not used. This is dne to the fact tbll. some of the hidden units may only operate in the lineal' region of a sigmoid when their 2This was posed as an open problem hy Solia. ei..al. [8] 369 370 Ji incoming weights are small and inputs are bounded. Therefore, a Ln,N(W) term can effectively act like a LN(n) term that reduces the effective number of hidden units, and thus result in a degenerate parameter space whose degrees of freedom is fewer than nd. This fact was not taken into consideration in the previous work, and as shown later in this work, will lead to a tighter bound on Rn,N. In what follows, we will first define the expected network complexity, then use it to bound the generalization error. 4 The Expected Network C0111plexity For reasons that will hecome apparent, we choose to define the effective complexity of a feedforward two layer network as the expected number of hidden unit.s EE (1 :::; J{ :::; 11) ,vhich are effectively nonlinear, i.e. operating outside t.he central linear regions of their sigmoid response function g(.::). '''''e define the linear region as an interval 1 z 1< b with b a positive constant. Consider the presynaptic input:: = wiT x to a hidden unit g(z), where Wi is the incoming weight vector for the unit. Then the unit is considered to be effectively linear if 1z 1< b for all xED. This will happen if 1 Zl 1< b, where z' = wiT x' with x' being any vertex of the unit hypercube D. This is b~cause 1 z I:::; wiT X, where x is the vertex of D whose elements are t.he 8gn functions of the elements of Wi. Next, consider network weights as random variaJ)lcs wit.h a distribution p(w) = Aex1J( - Ln,N (tv)), ,,,hich corresponds t.o a. Gibbs distribution of a regularization term wit.h a normalizing constant. A. Consider the vector ;'1;' to be a random vector also wit.h eqnally probable l~s ,Hld -l's. Then I::' 1< b will be a random event. The probability for this hidden unit to be effectively nonlin0.ill' equals to 1- Pr(1 z 1< b), which can be completely determined by the distributions of weights p( 'W) and x' (equally probable). Let. f{ be the number of hidden units which are effectively nonlinear. Then t.he probability, Pr(K = k) (1 :::; k :::; n), can be determined through a joint probabilit.y of k hidden units that are operating beyond the central linear region of sigmoid fUllctions. The expected network complexity, EI<, can then be obtained through Pr(I< = k), which is determined by the Gibbs distribution of LN,n (w). The motivation on utilizing such a Gibbs distribution comes from the fact that Rk,N is independent of training samples but dependent. of a regularization term which corresponds to a prior distribution of weights. Using sHch a formulation, as will be shown later, the effect of a regularization term on bias and va riance ca.n be characterized explicitly. 5 A New Bound for The Generalization Error To develop a t.ightcr houucl for the generalizat.ion error, we consider subspa.ces of t.he weights indexed by different number of effectively nonlinc(lr hidden units: 8 1 ~ 8 2 . .. ~ 8 n . For ead, 8 j , there are j out of 11 hidden unit.s which are effectively nonlinear fo], 1 :; j :::; n. '1'11e1'e1'ore, the index ofl'esolvability T?71,N ca.n be expressed as (4) Generalization Error and the Expected Network Complexity where each Rk,N = min {II wEe" f - in 112 + Ln.~(w)}. Next let us consider the number of effectively nonlinear units to be random. Since the minimum is no bigger than the average, we have (5) where the expectation is taken over the random variable J{ utilizing the probability Pr(I{ = k). For each K , however, the t,yO terms in Rf(,N can be bounded as by the t.rian.gle ine4uality, where fn-l":,n is the actuallletwork function with n - J{ hidden units operating in the region bounded by the constant b, and ff( is the correspondillg network funct.ion which t.rea ts the 11 - J{ units as linear units. In addition, we have . Ln,N(W) ::; O(II.fn-K,n - jI{ ') I{d W) + O( N logN), (7) \vhere the f-irst term also results from the triangle inequality, and the second term is obtained by cliscretizing the degenerate parameter space e J{ using similar techl1lques as in [2]3. Applying Taylor expansion on the t.erm \\ fn-K,n - ff( \\2, \\'e have \\ fn-K,n - ff{ \\2 ::; O(b13(n - K)). (8) Putting Equations (5) (6) (7) and (8) into Equation (1), \\'(' have 1 (EK)d Eg ::; O(E !{) + O( N logN) + O(b 6 (11 - EX)) () + o(b)), (9) where EX is the expected number of hidden units which are effectively nonlinear. If b ::; O( -\-), we have n3 1 Eg ::; O(E J() 6 + O( (EI{)d N logN) . (10) A Closed Fornl Expression For a Class of Regularization Ternls For commonly used regularization terms, how can \"e actually find the probability distribution of the number of (nonlinear) hidden units Pr(I{ = k)? And how shall we evaluate EK and E J( ? As a simple example, we consider a special class of prior distrihutions for iid weights, i.e, p( w) = TIiP( Wi), where W.i are the "i<'ments of wEen. This corresponds to a large class of regularization terms ,,'hicIt minimize the magnitudes of individual weights indepcndently[7]. Consider each weight as a random variable with zero mean and a common variance (J. Then for large input dimension el, is approximately normal with zero-mean v7zZ' 3 Deta.ils \Yill be given ill iL longer version of the pa.per in prepa.ra.tion. 371 372 Ji and varia.nce (J by the Central Limit Theorem[3]. Let q denote the probability that a. unit is effectively nonlinear. We have q = 2Q(-x where Q( -;1.:) b r,)' (11 ) (Jyd :;l = );- J e- T ely. Next consider the probability that J( out of n -co hidden units are nonlinear. Based x', I( has a binomial distribution 011 Pr(I{ = I.:) = where 1 < k < n. our (independence) assumptions on w' a.nd ( 71.) k qk (1 - q) n - /.; , Then EX = nq. 1 1 E}, = - +~, \ n where ~ = n-1 L (12) (1:3) (14) . HI - qr-~ + (1 - qt? Then the generalization error Eo satisfies i=1 1 Eg. :::; 0(n 7 +~) nqd + O(-N logN) (15) Application As an example for applica.t.ions of t.he tJleoretical results, the expected network complexity EJ{ is estimat.ed for G<:tussian mixture model used for time-series prediction (details can he found in [6]) 4. In genera.l, llsillg only a prior dist.ribut.ion of ,,,eights to est.ima.te the network COlllplexit.y EJ{ may lead to a less accurate measure on the effective net.work complexiLy than incorporat.ing informat.ion on training data also. However, if parameters of a regularization term also get optimized during training, as shown in this example , the resulting Gibbs prior distribution of weights may lead to a good estimate of the effective number of hidden units. Specifically, the corresponding Gibbs distribution p( 'W) of the weights from the Gaussion mixture is iicl, which consists of a linear combination of eight Gaussia.n distributions. This function results in a skewed distribntion with a sharp peak around the zero (see [6]). The mean and variance of the presynaptic inputs z t.o the hidden units can thus be estimated as 0.02 and 0.04, respectively. The other parameters used are n = 8, d = 12. b = 0.6 is chosen. Then q ~ 004 is obtained through Equation (11). The effective network complexity is EJ{ ~ 3 (or 4). The empirical result(10], which estima.tes the effective number of hidden units using the dominated eigenvalues at the hidden layer, results in about ;3 effective hidden units. 4 Strictly speaking , the theoretical resnlts deal with l'egulariza tion terms with discrete weight.s. It. can a.nd ha.s been extended to continuous weight.s by D.F. McCaffrey and A .R. Galla.nt. Details are beyond the content of this paper. Generalization Error and the Expected Network Complexity 5r---------.----------r---------.----------r-------~ 4.5 4 variance 0.5 increase in bias 0.2 0.6 0.4 0.8 q Figure 1: Illustration of an increase .6.. in bias and variance Bqn as a function of q. A sca.ling fadar J3 = 0.25 is used for t.he convenience of the plot. 11 = 20 is chosen. 8 Discussions Is this new bound for the generalization tighter than the old one which takes no account of l1etwork-weight.-dependent information? If so . what does it tell us? Compared wit.h the bOllnd in Equation (3), the new bound results in an increase .6.. in approximation error (bias), and qn instea.d of n as ~sLimatjon errol' (variallce). These two terms are plotted as functions of q in Figure (1). Since q is a. function of (J which characterizes how strongly the magnitude of the weights is penalized, the larger the (J, the less the weights get penalized, the larger the q, the more hidden uni ts are likely to be effectively nonlinear, thus the smaller the bias and larger the variance. ,\Vhen q = 1, all the hidden units are effectively nonlinear and the new bound reduces to the old one. This shows ho",- a regulariza.tion t.erm directly affects bias / variance. '\i\Then the estimation error dominates, the bound for the generalization error will be proportional to nq inst.ead of n. The value of 1'/,I}, however, depends on the choice of a. For small (J, the new bound can be much tighter than the old one, especially for large netwOl'ks with n large but nq small. This will provide a practical method to cstilllate gCltcrnlizn.tion errol' for large nctworks as well as an explanation of when rllld why hn~e networks can generalize ,,-ell. How tight the bound really is depends on how well Ln,l\ (lL!) is chosen. Let no denote t.he optimallll1ll1ber of (nonlinear) hidden units needeJ to approximate I(x). If Ln,N(W) is chosen so that. the corresponding 1J(W) is almost a delta. function a.t no, t.hen ERK,i\' ~ Rno,N, which gives a. very tight bound. Otherwise, if, for insta.nce, 373 374 Ii Ln,N(W) penalizes network complexity so little that ERJ(,N :=:::: Rn,N, the bound will be as loose as the original one. It should also be noted that an exact value for the bound cannot be obtained unless some information on the unknown function f itself is available. For commonly used regularization terms, the expected network complexity can be estimated through a close form expression. Such expected network complexity is shown to be a good estimate for the actual network complexity if a Gibbs prior distribution of weights also gets optimized through training, and is also sharply peaked. More research will be done to evaluate the applica.bility of the theoretical results. A cknow ledgeluent The support of National Science Foundation is gratefully acknowledged. References [1] S. Amari and N. Murata, "Statistical Theory of Learning Curves under Entropic Loss Criterion," Neural Computation, 5, 140-153, 1993. [2] A. Barron, "Approximation a.nd Estimation Bounds for Artificial Neural Networks," Proc. of The 4th Workshop on Computational Learning Theory, 243249, 1991. [3] Vv. Feller, An Introduction to Probability Theory and Its Applications, New York: John \Viley and Sons, 1968. [4] S. Geman, E. Bienenstock, and R. Doursat, "Neural Networks and the Bias/Variance Dilemma," Neural Comp1tiation, 4, 1-58, 1992. [5] J. Moody, "Generalization, vVeight Decay, and Architecture Selection for Nonlinear Learning Systems," Proc. of Neural Information Processing Systems, 1991. [6] S.J. Nowlan, and G.E. Hinton, "Simplifying Neural Networks by Soft \Veight Sha.ring," Neural computation, 4,473-493(1992). [7] R. Reed, "Pruning Algorithms-A Survey," IEEE Trans. Neural Networks Vol. 4, 740-'i'47, (1993). [8] S. Solla, "The Emergence of Generalization Ability in Learning," Presented at NIPS92. [9] V. Vapnik, "Estimation of Dependences Based on Empirical Data," SpringerVerlag, New York, 1982. [10] A.S . V\'eigend and D.E . Rumelhart, "The Effective Dimension of the Space of Hidden Units," Proc. of International Joint Conference on Ne1tral Networks, 1992.
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Analyzing Cross Connected Networks Thomas R. Shultz Department of Psychology & McGill Cognitive Science Centre McGill University Montreal, Quebec, Canada H3A IB 1 [email protected] and Jeffrey L. Elman Center for Research on Language Department of Cognitive Science University of California at San Diego LaJolla, CA 92093-0126 U.S.A. [email protected] Abstract The non-linear complexities of neural networks make network solutions difficult to understand. Sanger's contribution analysis is here extended to the analysis of networks automatically generated by the cascadecorrelation learning algorithm. Because such networks have cross connections that supersede hidden layers, standard analyses of hidden unit activation patterns are insufficient. A contribution is defined as the product of an output weight and the associated activation on the sending unit, whether that sending unit is an input or a hidden unit, multiplied by the sign of the output target for the current input pattern. Intercorrelations among contributions, as gleaned from the matrix of contributions x input patterns, can be subjected to principal components analysis (PCA) to extract the main features of variation in the contributions. Such an analysis is applied to three problems, continuous XOR, arithmetic comparison, and distinguishing between two interlocking spirals. In all three cases, this technique yields useful insights into network solutions that are consistent across several networks. 1 INTRODUCTION Although neural network researchers are typically impressed with the performance achieved by their learning networks, it often remains a challenge to explain or even characterize such performance. The latter difficulties stem principally from the complex non-linear properties of neural nets and from the fact that information is encoded in a form that is distributed across many weights and units. The problem is exacerbated by the fact that multiple nets generate unique solutions depending on variation in both starting states and training patterns. Two techniques for network analysis have been applied with some degree of success, focusing respectively on either a network's weights or its hidden unit activations. Hinton (e.g., Hinton & Sejnowski, 1986) pioneered a diagrammatic analysis that involves plotting a network's learned weights. Occasionally, such diagrams yield interesting insights but often, because of the highly distributed nature of network representations, the most notable features of such analyses are the complexity of the pattern of weights and its variability across multiple networks learning the same problem. 1117 1118 Shultz and Elman Statistical analysis of the activation patterns on the hidden units of three layered feedforward nets has also proven somewhat effective in understanding network performance. The relations among hidden unit activations, computed from a matrix of hidden units x input patterns, can be subjected to either cluster analysis (Elman, 1990) or PCA (Elman, 1989) to determine the way in which the hidden layer represents the various inputs. However, it is not clear how this technique should be extended to multi-layer networks or to networks with cross connections. Cross connections are direct connections that bypass intervening hidden layers. Cross connections typically speed up learning when used in static back-propagation networks (Lang & Witbrock, 1988) and are an obligatory and ubiquitous feature of some generative learning algorithms, such as cascade-correlation (Fahlman & Lebiere, 1990). Generative algorithms construct their own network topologies as they learn. In cascade-correlation, this is accomplished by recruiting new hidden units into the network, as needed, installing each on a separate layer. In addition to layer-to-layer connections, each unit in a cascadecorrelation network is fully cross connected to all non-adjacent layers downstream. Because such cross connections carry so much of the work load, any analysis restricted to hidden unit acti vations provides a partial picture of the network solution at best. Generative networks seem to provide a number of advantages over static networks, including more principled network design, leaner networks, faster learning, and more realistic simulations of hwnan cognitive development (Fahlman & Lebiere, 1990; Shultz, Schmidt, Buckingham, & Mareschal, in press). Thus, it is important to understand how these networks function, even if they seem impervious to standard analytical tools. 2 CONTRIBUTION ANALYSIS One analytical technique that might be adapted for multi-layer, cross connected nets is contribution analysis (Sanger, 1989). Sanger defined a contribution as the triple product of an output weight, the activation of a sending unit, and the sign of the output target for that input. He argued that contributions are potentially more informative than either weights alone or hidden unit activations alone. A large weight may not contribute much if it is connected to a sending unit with a small activation. Likewise, a large sending activation may not contribute much if it is connected via a small weight. In contrast, considering a full contribution, using both weight and sending activation, would more likely yield valid comparisons. Sanger (1989) applied contribution analysis to a small version of NETtalk, a net that learns to convert written English into spoken English (Sejnowski & Rosenberg, 1987). Sanger's analysis began with the construction of an output unit x hidden unit x input pattern array of contributions. Various two-dimensional slices were taken from this threedimensional array, each representing a particular output unit or a particular hidden unit. Each two-dimensional slice was then subjected to PCA, yielding information about either distributed or local hidden unit responsibilities, depending on whether the focus was on an individual output unit or individual hidden unit, respectively. 3 CONTRIBUTION ANALYSIS FOR MULTI? LAYER, CROSS CONNECTED NETS We adapted contribution analysis for use with multi-layered, cross connected cascadecorrelation nets. Assume a cascade-correlation network with j units (input units + hidden units) and k output units, being trained with i input patterns. There are j x k output weights in such a network, where an output weight is defined as any weight connected to Analyzing Cross-Connected Networks an output unit. A contribution c for a particular ijk combination is defined as Cijk = Wjk aij 2tki (1) where Wjk is the weight connecting sending unit j with output unit k, aij is the activation of sending unit j given input pattern i, and tki is the target for output unit k given input pattern i. The term 2tki adjusts the sign of the contribution so that it provides a measure of correctness. That is, positive contributions push the output activation towards the target, whereas negative contributions push the output activation away from the target. In cascade-correlation, sigmoid output units have targets of either -0.5 or +0.5. Hence, mUltiplying a target by 2 yields a positive sign for positive targets and a negative sign for negative targets. Our term 2tki is analogous to Sanger's (1989) term 2tik - 1, which is appropriate for targets of 0 and I, commonly used in back-propagation learning. In contrast to Sanger's (1989) three-dimensional array of contributions (output unit x hidden unit x input pattern). we begin with a two-dimensional output weight (k * j) x input pattern (i) array of contributions. This is because we want to include all of the contributions coming into the output units, including the cross connections from more than one layer away. Since we begin with a two-dimensional array. we do not need to employ the somewhat cumbersome slicing technique used by Sanger to isolate particular output or hidden units. Nonetheless. as will be seen, our technique does allow the identification of the roles of specific contributions. 4 PRINCIPAL COMPONENTS ANALYSIS Correlations among the various contributions across input patterns are subjected to PCA. PCA is a statistical technique that identifies significant dimensions of variation in a multi-dimensional space (Flury, 1988). A component is a line of closest fit to a set of points in multi-dimensional space. The goal of PCA is to summarize a multivariate data set using as few components as possible. It does this by taking advantage of possible correlations among the variables (contributions, in our case). We apply PCA to contributions, as defined in Equation I, taken from networks learning three different problems: continuous XOR, arithmetic comparisons. and distinguishing between interlocking spirals. The contribution matrix for each net, as described in section 3, is subjected to PCA using 1.0 as the minimum eigenvalue for retention. Varimax rotation is applied to improve the interpretability of the solution. Then the scree test is applied to eliminate components that fail to account for much of the variance (Cattell, 1966). In cases where components are eliminated. the analysis is repeated with the correct number of components. again with a varimax rotation. Component scores for the retained components are plotted to provide an indication of the function of the components. Finally. component loadings for the various contributions are examined to determine the roles of the contributions from hidden units that had been recruited into the networks. 5 APPLICATION TO THE CONTINUOUS XOR PROBLEM The simplicity of binary XOR and the small number of training patterns (four) renders application of contribution analysis superfluous. However, it is possible to construct a continuous version of the XOR problem that is more suitable for contribution analysis. We do this by dividing the input space into four quadrants. Input values are incremented in steps of 0.1 starting from 0.0 up to 1.0, yielding 100 x, y input pairs. Values of x up to 0.5 combined with values of y above 0.5 produce a positive output target (0.5), as do values of x above 0.5 combined with values of y below 0.5. Input pairs in the other two quadrants yield a negative output target (-0.5). 1119 1120 Shultz and Elman Three cascade-correlation nets are trained on this problem. Each of the three nets generates a unique solution to the continuous XOR problem, with some variation in number of hidden units recruited. PCA of contributions yields different component loadings across the three nets and different descriptions of components. Yet with all of that variation in detail, it is apparent that all three nets make the same three distinctions that are afforded by the training patterns. The largest distinction is that which the nets are explicitly trained to make, between positive and negative outputs. Two components are sufficient to describe the representations. Plots of rotated component scores for the 100 training patterns cluster into four groups of 25 points, each cluster corresponding to one of the four quadrants described earlier. Component loadings for the various contributions on the two components indicate that the hidden units play an interactive and distributed role in separating the input patterns into their respective quadrants. 6 APPLICATION TO COMPARATIVE ARITHMETIC A less well understood problem than XOR in neural net research is that of arithmetic operations, such as addition and multiplication. What has a net learned when it learns to add, or to multiply, or to do both operations? The non-linear nature of multiplication makes it particularly interesting as a network analysis problem. The fact that several psychological simulations using neural nets involve problems of linear and non-linear arithmetic operations enhances interest in this sort of problem (McClelland, 1989; Shultz et al., in press). We designed arithmetic comparison tasks that provided interesting similarities to some of the psychological simulations. In particular, instead of simply adding or multiplying, the nets learn to compare sums or products to some value and then output whether the sum or product is greater than, less than, or equal to that comparative value. The addition and multiplication tasks each involve three linear input units. The first two input units each code a randomly selected integer in the range from 0 to 9, inclusive. The third input unit codes a randomly selected comparison integer. For addition problems, the comparison values are in the range of 0 to 19, inclusive; for multiplication the range is 0 to 82, inclusive. Two output units code the results of the comparison. Target outputs of 0.5 and -0.5 represent that the results of the arithmetic operation are greater than the comparison value, targets of -0.5 and 0.5 represent less than, and targets of 0.5 and 0.5 represent equal to. For problems involving both addition and multiplication, a fourth input unit codes the type of arithmetic operation to be performed: 0 for addition, 1 for multiplication. Nets trained on either addition or multiplication have 100 randomly selected training patterns, with the restriction that 45 of them have correct answers of greater than, 45 have correct answers of less than, and 10 have correct answers of equal to. The latter constraints are designed to reduce the natural skew of comparative values in the high direction on multiplication problems. Nets trained on both addition and multiplication have 100 randomly selected addition problems and 100 randomly selected multiplication problems, subject to the constraints just described. We trained three nets on addition, three on multiplication, and three on both addition and multiplication. 6.1 RESULTS FOR ADDITION PCA of contributions in all three addition nets yield two significant components. In each of the three nets, the component scores form three clusters, representing the three correct answers. In all three nets, the first component distinguishes greater than from less than answers and places equal to answers in the middle; the second component distinguishes Analyzing Cross-Connected Networks equal to from unequal to answers. The primary role of the hidden unit in these nets is to distinguish equality from inequality. The hidden unit is not required to perform addition per se in these nets, which have additive activation functions. 6.2 RESUL TS FOR MULTIPLICATION PCA applied to the contributions in the three multiplication nets yields from 3 to 4 significant components. Plots of rotated component scores show that the first component separates greater than from less than outputs, placing equal to outputs in the middle. Other components further differentiate the problems in these categories into several smaller groups that are related to the particular values being multiplied. Rotated component loadings indicate that component 1 is associated not only with contributions coming from the bias unit and the input units, but also with contributions from some hidden units. This underscores the need for hidden units to capture the non-linearities inherent to multiplication. 6.3 RESULTS FOR BOTH ADDITION AND MULTIPLICATION PCA of contributions yields three components in each of the three nets taught to do both addition and multiplication. In addition to the familiar distinctions between greater than, less than, and equal to outputs found in nets doing either addition or multiplication, it is of interest to determine whether nets doing both operations distinguish between adding and multiplying. Figure 1 shows the rotated component scores for net 1. Components 1 and 2 (accounting for 30.2% and 21.9% of the variance, respectively) together distinguish greater than answers from the rest. Component 3, accounting for 20.2% of the variance, separates equal to answers from less than answers and multiplication from addition for greater than answers. Together, components 2 and 3 separate multiplication from addition for less than answers. Results for the other two nets learning both multiplication and addition comparisons are essentially similar to those for net 1. ... ~-... " . ? . . ... . -':/ . .,+ 2 x> ~ ~ s:: 0 o c.. E o ? . . I..-. . .,. . "' ,.... ... r.? _ . 'I. I ???( -1 ==.1 v x< ?? +< .~ ., -2 2 2 Component 2 -3 -3 Component 3 Figure 1. Rotated component scores for a net doing both addition and multiplication. 6.4 DISCUSSION OF COMPARATIVE ARITHMETIC As with continuous XOR, there is considerable variation among networks learning comparative arithmetic problems. Varying numbers of hidden units are recruited by the networks and different types of components emerge from PCA of network contributions. In some cases, clear roles can be assigned to particular components, but in other cases, separation of input patterns relies on interactions among the various components. 1121 1122 Shultz and Elman Yet with all of this variation, it is apparent that the nets learn to separate arithmetic problems according to features afforded by the training set. Nets learning either addition or multiplication differentiate the problems according to answer types: greater than, less than, and equal to. Nets learning both arithmetic operations supplement these answer distinctions with the operational distinction between adding and multiplying. 7 APPLICATION TO THE TWO-SPIRALS PROBLEM We next apply contribution analysis to a particularly difficult discrimination problem requiring a relatively large number of hidden units. The two-spirals problem requires the net to distinguish between two interlocking spirals that wrap around their origin three times. The standard version of this problem has two sets of 97 continuous-valued x, y pairs, each set representing one of the spirals. The difficulty of the two-spirals problem is underscored by the finding that standard back-propagation nets are unable to learn it (Wieland, unpublished, cited in Fahlman & Lebiere, 1990). The best success to date on the two-spirals problem was reported with cascade-correlation nets, which learned in an average of 1700 epochs while recruiting from 12 to 19 hidden units (Fahlman & Lebiere, 1990). The relative difficulty of the two-spirals problem is undoubtedly due to its high degree of non-linearity. It suited our need for a relatively difficult, but fairly well understood problem on which to apply contribution analysis. We ran three nets using the 194 continuous x, y pairs as inputs and a single sigmoid output unit, signaling -0.5 for spiral 1 and 0.5 for spiral 2. Because of the relative difficulty of interpreting plots of component scores for this problem, we focus primarily on the extreme component scores, defined as less than -lor greater than 1. Those x, y input pairs with extreme component scores on the first two components for net 1 are plotted in Figure 2 as filled points on the two spirals. There are separate plots for the positive and negative ends of each of the two components. The fllled points in each quadrant of Figure 2 define a shape resembling a tilted hourglass covering approximately one-half of the spirals. The positive end of component 1 can be seen to focus on the northeast sector of spiral 1 and the southwest sector of spiral 2. The negative end of component 1 has an opposite focus on the northeast sector of spiral 2 and the southwest sector of spiral 1. Component 2 does precisely the opposite of component 1: its positive end deals with the southeast sector of spiral 1 and the northwest sector of spiral 2 and its negative end deals with the southeast sector of spiral 2 and the northwest sector of spiral 1. Comparable plots for the other two nets show this same hourglass shape, but in a different orientation. The networks appear to be exploiting the symmetries of the two spirals in reaching a solution. Examination of Figure 2 reveals the essential symmetries of the problem. For each x, y pair, there exists a corresponding -x, -y pair 180 degrees opposite and lying on the other spiral. Networks learn to treat these mirror image points similarly, as revealed by the fact that the plots of extreme component scores in Figures 2 are perfectly symmetrical across the two spirals. If a point on one spiral is plotted, then so is the corresponding point on the other spiral, 180 degrees opposite and at the same distance out from the center of the spirals. If a trained network learns that a given x, y pair is on spiral 1, then it also seems to know that the -x, -y pair is on spiral 2. Thus, it make good sense for the network to represent these opposing pairs similarly. Recall that contributions are scaled by the sign of their targets, so that all of the products of sending activations and output weights for spiral 1 are multiplied by -1. This is to ensure that contributions bring output unit activations close to their targets in proportion Analyzing Cross-Connected Networks to the size of the contribution. Ignoring this scaling by target, the networks possess sufficient information to separate the two spirals even though they represent points of the two spirals in similar fashion. The plot of the extreme component scores in Figure 2 suggests that the critical information for separating the two spirals derives mainly from the signs of the input activations. Because scaling contributions by the sign of the output target appears to obscure a full picture of network solutions to the two-spirals problem, there may be some value in using unsealed contributions in network analysis. Use of unscaled contributions also could be justified on the grounds that the net has no knowledge of targets as it represents a particular problem; target information is only used in the error correction process. A disadvantage of using un scaled contributions is that one cannot distinguish contributions that facilitate vs. contributions that inhibit reaching a relatively error free solution. The symmetry of these network representations suggests a level of systematicity that is, on some accounts, not supposed to be possible in neural nets (Fodor & Pylyshyn, 1988). Whether this representational symmetry reflects systematicity in performance is another matter. One empirical prediction would be that as a net learns that x, y is on one spiral, it also learns at about the same time that -x, -y is on the other spiral. If confirmed, this would demonstrate a clear case of systematic cognition in neural nets. 8 GENERAL DISCUSSION Performing PCA on network contributions is here shown to be a useful technique for understanding the performance of networks constructed by the cascade-correlation learning algorithm. Because cascade-correlation nets typically possess multiple hidden layers and are fully cross connected, they are difficult to analyze with more standard methods emphasizing activation patterns on the hidden units alone. Examination of their weight patterns is also problematic, particularly in larger networks, because of the highly distributed nature of the net's representations. Analyzing contributions, in contrast to either hidden unit activations or weights, is a naturally appealing solution. Contributions capture the influence coming into output units both from adjacent hidden units and from distant, cross connected hidden and input units. Moreover, because contributions include both sending activations and connecting weights, they are not unduly sensitive to one at the expense of the other. In the three domains examined in the present paper, PCA of the network contributions both confirm some expected results and provide new insights into network performance. In all cases examined, the nets succeed in drawing all of the important distinctions in their representations that are afforded by the training patterns, whether these distinctions concern the type of output or the operation being performed on the input. In combination with further experimentation and analysis of network weights and activation patterns, this technique could help to provide an account of how networks accomplish whatever it is they learn to accomplish. It might be of interest to apply the present technique at various points in the learning process to obtain a developmental trace of network performance. Would all networks learning under the same constraints progress through the same stages of development, in terms of the problem distinctions they are able to make? This would be of particular interest to network simulations of human cognitive development, which has been claimed to be stage-like in its progressions. 1123 1124 Shultz and Elman The present technique could also be useful in predicting the results of lesioning experiments on neural nets. If the role of a hidden unit can be identified by its association with a particular principal component, then it could be predicted that lesioning this unit would impair the function served by the component. Acknowledgments This research was supported by the Natural Sciences and Engineering Research Council of Canada and the MacArthur Foundation. Helpful comments were provided by Scott Fahlman, Denis Mareschal, Yuriko Oshima-Takane, and Sheldon Tetewsky. References Cattell, R. B. (1966). The scree test for the number of factors. Multivariate Behavioral Research, t, 245-276. Elman, 1. L. (1989). Representation and structure in connectionist models. CRL Technical Report 8903, Center for Research in Language, University of California at San Diego. Elman, J. L. (1990). Finding structure in time. Cognitive Science, 14, 179-211. Fahlman, S. E., & Lebiere, C. (1990.) The Cascade-Correlation learning architecture. In D. Touretzky (Ed.), Advances in neural information processing systems 2, (pp. 524532). Mountain View, CA: Morgan Kaufmann. Rury, B. (1988). Common principal components and related multivariate models. New York: Wesley. Fodor, J., & Pylyshyn, Z. (1988). Connectionism and cognitive architecture: A critical analysis. Cognition, 28,3-71. Hinton, G. E., & Sejnowski, T. J. (1986). Learning and relearning in Boltzmann machines. In D. E. Rume1hart & J. L. McClelland (Eds.), Parallel distrihuted processing: Explorations in the microstructure of cognition. Volwne 1: Foundalion.~, pp. 282-317. Cambridge, MA: MIT Press. Lang, K. J., & Witbrock, M. J. (1988). Learning to tell two spirals apart. In D. Touretzky, G. Hinton, & T. Sejnowski (Eds)., Proceedings of the Connectioni.rt Models Summer School, (pp. 52-59). Mountain View, CA: Morgan Kaufmann. McClelland, 1. L. (1989). Parallel distributed processing: Implications for cognition and development. In Morris, R. G. M. (Ed.), Para/lei distributed processing: Implications for psychology and neurobiology, pp. 8-45. Oxford University Press. Rumelhart, D. E., Hinton, G. E., & Williams, R. J. (1986). Learning internal representations by error propagation. In D. E. Rumelhart & J. L. McClelland (Eds.), Parallel distributed processing: Explorations in the microstructure of cognition. Volume 1: Foundations, pp. 318-362. Cambridge, MA: MIT Press. Sanger, D. (1989). Contribution analysis: A technique for assigning responsibilities to hidden units in connectionist networks. Connection Science, I, 115-138. Sejnowski, T. J., & Rosenberg, C. R. (1987). Parallel networks that learn to pronounce English text. Complex Systems, I, 145-168. Shultz, T. R., Schmidt, W. C., Buckingham, D., & Mareschal, D. (In press). Modeling cognitive development with a generative connectionist algorithm. In G. Halford & T. Simon (Eds.), Developing cognitive competence: New approaches to process mndeling. Hillsdale, NJ: Erlbaum. " o ? ? IIII'ph'! AlI.ph12 El1rem. spiral 1 Eldrltm. spire' 2 0 ?4 -q -8 ... 0 o Figure 2. Extreme rotated component scores for a net on the two-spirals problem.
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Functional Models of Selective Attention and Context Dependency Thomas H. Hildebrandt Department of Electrical Engineering and Computer Science Room 304 Packard Laboratory 19 Memorial Drive West Lehigh University Bethlehem PA 18015-3084 [email protected] Scope This workshop reviewed and classified the various models which have emerged from the general concept of selective attention and context dependency, and sought to identify their commonalities. It was concluded that the motivation and mechanism of these functional models are "efficiency" and ''factoring'', respectively. The workshop focused on computational models of selective attention and context dependency within the realm of neural networks. We treated only ''functional'' models; computational models of biological neural systems, and symbolic or rule-based systems were omitted from the discussion. Presentations Thomas H. Hildebrandt presented the results of his recent survey of the literature on functional models of selective attention and context dependency. He set forth the notions that selective attention and context dependency are equivalent, that the goal of these methods is to reduce computational requirements, and that this goal is achieved by what amounts to factoring or a divide-and-conquer technique which takes advantage of nonlinearities in the problem. Daniel S. Levine (University of Texas at Arlington) showed how the gated dipole structure often used in the ART models can be used to account for time-dependent phenomena such as habituation and overcompensation. His adjusted model appropriately modelled the public's adverse reaction to "New Coke". Lev Goldfarb (University of New Brunswick) presented a formal model for inductive learning based on symbolic transformation systems and parametric distance functions as an alternative to the commonly used algebraic transformation system and Euclidean distance function. The drawbacks of the latter system were briefly discussed, and it was shown how this new formal system can give rise to learning models which overcome these problems. 1180 Functional Models of Selective Attention and Context Dependency Chalapathy Neti (IBM, Boca Raton) presented a model which he has used to increase signal-to-noise ratio (SNR) in noisy speech signals. The model is based on adaptive filtering of frequency bands with a constant frequency to bandwidth ratio. This thresholding in the wavelet domain gives results which are superior to similar methods operating in the Adaptive Fourier domain. Several types of signal could be detected with SNRs close to Odb. Paul N. Refenes (University of London Business School) demonstrated the need to take advantage of contextual information in attempting to model the capital markets. There exist some fundamental economic formulae, but they hold only in the long term. The desire to model events on a finer time scale requires reference to significant factors within a smaller window. To do this effectively requires the identification of appropriate short-term indicators, as mere overparameterization has been shown to lead to negative results. Jonathan A. Marshall (University of North Carolina) reviewed the EXIN model, which correctly encodes partially overlapping patterns as distinct activations in the output layer, while allowing the simultaneous appearance of nonoverlapping patterns to give rise to multiple activations in the output layer. The model thus produces a factored representation of complex scenes. Albert Nigrin (American University) presented a model, similar in concept to the EXIN model. It correctly handles synonymous inputs by means of cross-inhibition of the links connecting the synonyms to the target node. Thomas H. Hildebrandt also presented a model for adaptive classification based on decision feedback equalization. The model shifts the decision boundaries of the underlying classifier to compensate shifts in the statistics of the input. On handwritten character classification, it outperformed an identical classifier which used only static decision boundaries. Summary According to Hildebrandt's first talk, the concepts underlying selective attention are quite broad and generally applicable. Large nonlinearities in the problem permit the use of problem subdivision or factoring (by analogy with the factoring of a Boolean equation). Factoring is a good method for reducing the complexity of nonlinear systems. The talks by Levine and Refenes showed that context enters naturally into the description, formulation, and solution ofreal-world modelling problems. Those by Neti and Hildebrandt showed that specific reference to temporal context can result in immediate performance gains. The presentations by Marshall and Nigrin provided models for appropriately encoding contexts involving overlapping and synonymous patterns, respectively. The talk by Goldfarb indicates that abandoning assumptions regarding linearity ab initio may lead to more powerful learning systems. Refer to [1] for further information. References [1] Hildebrandt, Thomas H. Neural Network Models for Selective Attention and Context Dependency. Submitted to Neural Networks, December 1993. 1181
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Surface Learning with Applications to Lipreading Christoph Bregler *.** *Computer Science Division University of California Berkeley, CA 94720 Stephen M. Omohundro ** **Int. Computer Science Institute 1947 Center Street Suite 600 Berkeley, CA 94704 Abstract Most connectionist research has focused on learning mappings from one space to another (eg. classification and regression). This paper introduces the more general task of learning constraint surfaces. It describes a simple but powerful architecture for learning and manipulating nonlinear surfaces from data. We demonstrate the technique on low dimensional synthetic surfaces and compare it to nearest neighbor approaches. We then show its utility in learning the space of lip images in a system for improving speech recognition by lip reading. This learned surface is used to improve the visual tracking performance during recognition. 1 Surface Learning Mappings are an appropriate representation for systems whose variables naturally decompose into "inputs" and "outputs)). To use a learned mapping, the input variables must be known and error-free and a single output value must be estimated for each input. Many tasks in vision, robotics, and control must maintain relationships between variables which don't naturally decompose in this way. Instead, there is a nonlinear constraint surface on which the values of the variables are jointly restricted to lie. We propose a representation for such surfaces which supports a wide range of queries and which can be naturally learned from data. The simplest queries are "completion queries)). In these queries, the values of certain variables are specified and the values (or constraints on the values) of remaining 43 44 Bregler and Omohundro Figure 1: Using a constraint surface to reduce uncertainty in two variables ~. Figure 2: Finding the closest point in a surface to a given point. variables are to be determined. This reduces to a conventional mapping query if the "input" variables are specified and the system reports the values of corresponding "output" variables. Such queries can also be used to invert mappings, however, by specifying the "output" variables in the query. Figure 1 shows a generalization in which the variables are known to lie with certain ranges and the constraint surface is used to further restrict these ranges. For recognition tasks, "nearest point" queries in which the system must return the surface point which is closest to a specified sample point are important (Figure 2). For example, symmetry-invariant classification can be performed by taking the surface to be generated by applying all symmetry operations to class prototypes (eg. translations, rotations, and scalings of exemplar characters in an OCR system). In our representation we are able to efficiently find the globally nearest surface point in this kind of query. Other important classes of queries are "interpolation queries" and "prediction queries". For these, two or more points on a curve are specified and the goal is to interpolate between them or extrapolate beyond them. Knowledge of the constraint surface can dramatically improve performance over "knowledge-free" approaches like linear or spline interpolation. In addition to supporting these and other queries, one would like a representation which can be efficiently learned. The training data is a set of points randomly drawn from the surface. The system should generalize from these training points to form a representation of the surface (Figure 3). This task is more difficult than mapping learning for several reasons: 1) The system must discover the dimension of the surface, 2) The surface may be topologically complex (eg. a torus or a sphere) Surface Learning with Applications to Lipreading ??? ? ? ?? ?? ? ? ? ? ?? ? ?? ? ?? Figure 3: Surface Learning and may not support a single set of coordinates, 3) The broader range of queries discussed above must be supported. Our approach starts from the observation that if the data points were drawn from a linear surface, then a principle components analysis could be used to discover the dimension of the linear space and to find the best-fit linear space of that dimension. The largest principle vectors would span the space and there would be a precipitous drop in the principle values at the dimension of the surface. A principle components analysis will no longer work, however, when the surface is nonlinear because even a I-dimensional curve could be embedded so as to span all the dimensions of the space. If a nonlinear surface is smooth, however, then each local piece looks more and more linear under magnification. If we consider only those data points which lie within a local region, then to a good approximation they come from a linear surface patch. The principle values can be used to determine the most likely dimension of the surface and that number of the largest principle components span its tangent space (Omohundro, 1988). The key idea behind our representations is to "glue" these local patches together using a partition of unity. We are exploring several implementations, but all the results reported here come from a represenation based on the "nearest point" query. The surface is represented as a mapping from the embedding space to itself which takes each point to the nearest surface point. K-means clustering is used to determine a initial set of "prototype centers" from the data points. A principle components analysis is performed on a specified number of the nearest neighbors of each prototype. These "local peA" results are used to estimate the dimension of the surface and to find the best linear projection in the neighborhood of prototype i. The influence of these local models is determined by Gaussians centered on the prototype location with a variance determined by the local sample density. The projection onto the surface is determined by forming a partition of unity from these Gaussians and using it to form a convex linear combination of the local linear projections: (1) This initial model is then refined to minimize the mean squared error between the 45 46 Bregler and Omohundro a) b) Figure 4: Learning a I-dimensional surface. a) The surface to learn b) The local patches and the range of their influence functions, c) The learned surface training samples and the nearest surface point using EM optimization and gradient descent. 2 Synthetic Examples To see how this approach works, consider 200 samples drawn from a I-dimensional curve in a two-dimensional space (Figure 4a). 16 prototype centers are chosen by kmeans clustering. At each center, a local principle components analysis is performed on the closest 20 training samples. Figure 4b shows the prototype centers and the two local principle components as straight lines. In this case, the larger principle value is several times larger than the smaller one. The system therefore attempts to construct a one-dimensional learned surface. The circles in Figure 4b show the extent of the Gaussian influence functions for each prototype. Figure 4c shows the resulting learned suface. It was generated by randomly selecting 2000 points in the neighborhood of the surface and projecting them according to the learned model. Figure 5 shows the same process applied to learning a two-dimensional surface embedded in three dimensions. To quantify the performance of this learning algorithm, we studied the effect of the different parameters on learning a two-dimensional sphere in three dimensions. It is easy to compare the learned results with the correct ones in this case. Figure 6a shows how the empirical error in the nearest point query decreases as a function of the number of training samples. We compare it against the error made by a nearest-neighbor algorithm. With 50 training samples our approach produces an error which is one-fourth as large. Figure 6b shows how the average size of the local principle values depends on the number of nearest neighbors included. Because this is a two-dimensional surface, the two largest values are well-separated from the third largest. The rate of growth of the principle values is useful for determining the dimension of the surface in the presence of noise. Surface Learning with Applications to Lipreading Figure 5: Learning a two-dimensional surface in the three dimensions a) 1000 random samples on the surface b) The two largest local principle components at each of 100 prototype centers based on 25 nearest neighbors. :::~--+ ~--:+=~-+=t-+=:--+:~:+~ lBO . OO '0000- - 160 .00 j=----~~ c-t-r--t--r =:=. ~ ~f .t::- ?=t~~f?t~ ::::::-: -~~r~l-:=t:==t~f ..::t~ ~:--=- -:-:- - L_ - ==-~~~-l== ':::::-\ I IOD~ - - 4000- - - - -+--1-- . -~:'::: - --- -- 120.00 9> . 00 60.00 ----+---+ 1000-- ".00 20.00 ?. 'ODD 1OG OO 15000 ZOO 00 ~OOD 3000{) 3SGOO oo~ '.00 __ ~~ 80.00 _ _ _ _ _ _ __ 100.00 1110.00 Figure 6: Quantitative performance on learning a two-dimensional sphere in three dimensions. a) Mean squared error of closest point querries as function of the number of samples for the learned surface vs. nearest training point b) The mean square root of the three principle values as a function of number of neighbors included in each local PCA . 47 48 Bregler and Omohundro a b Figure 7: Snakes for finding the lip contours a) A correctly placed snake b) A snake which has gotten stuck in a local minimum of the simple energy function. 3 Modelling the space of lips We are using this technique as a part of system to do "lipreading". To provide features for "vise me classification" (visemes are the visual analog of phonemes), we would like the system to reliably track the shape of a speaker's lips in video images. It should be able to identify the corners of the lips and to estimate the bounding curves robustly under a variety of imaging and lighting conditions. Two approaches to this kind of tracking task are "snakes" (Kass, et. aI, 1987) and "deformable templates" (Yuille, 1991). Both of these approaches minimize an "energy function" which is a sum of an internal model energy and an energy measuring the match to external image features. For example, to use the "snake" approach for lip tracking, we form the internal energy from the first and second derivatives of the coordinates along the snake, prefering smoother snakes to less smooth ones. The external energy is formed from an estimate of the negative image gradient along the snake. Figure 7a shows a snake which has correctly relaxed onto a lip contour. This energy function is not very specific to lips, however. For example, the internal energy just causes the snake to be a controlled continuity spline. The "lip- snakes" sometimes relax onto undesirable local minima like that shown in Figure 7b. Models based on deformable templates allow a researcher to more strongly constrain the shape space (typically with hand-coded quadratic linking polynomials), but are difficult to use for representing fine grain lip features. Our approach is to use surface learning as described here to build a model of the space of lips. We can then replace the internal energy described above by a quantity computed from the distance to the learned surface in lip feature space. Our training set consists of 4500 images of a speaker uttering random words l . The training images are initially "labeled" with the conventional snake algorithm. Incorrectly aligned snakes are removed from the database by hand. The contour shape is parameterized by the x and y coordinates of 40 evenly spaced points along the snake. All values are normalized to give a lip width of 1. Each lip contour is IThe data was collected for an earlier lipreading system described in (Bregler, Hild, Manke, Waibel 1993) Surface Learning with Applications to Lipreading (Ja C7b ~d e Figure 8: Two principle axes in a local patch in lip space. a, b, and c are configurations along the first principle axis, while d, e, and f are along the third axis. a b c Figure 9: a) Initial crude estimate of the contour b) An intermediate step in the relaxation c) The final contour. therefore a point in an 80-dimensional "lip- space". The lip configurations which actually occur lie on a lower dimensional surface embedded in this space. Our experiments show that a 5-dimensional surface in the 80-dimensional lip space is sufficient to describe the contours with single pixel accuracy in the image. Figure 8 shows some lip models along two of the principle axes in the local neighborhood of one of the patches. The lip recognition system uses this learned surface to improve the performance of tracking on new image sequences. The tracking algorithm starts with a crude initial estimate of the lip position and size. It chooses the closest model in the lip surface and maps the corresponding resized contour back onto the estimated image position (Figure 9a). The external image energy is taken to be the cumulative magnitude of graylevel gradient estimates along the current contour. This term has maximum value when the curve is aligned exactly on the lip boundary. We perform gradient ascent in the contour space, but constrain the contour to lie in the learned lip surface. This is achieved by reprojecting the contour onto the lip surface after each gradient step. The surface thereby acts as the analog of the internal energy in the snake and deformable template approaches. Figure 9b shows the result after a few steps and figure 9c shows the final contour. The image gradient is estimated using an image filter whose width is gradually reduced as the search proceeds. The lip contours in successive images in the video sequence are found by starting with the relaxed contour from the previous image and performing gradient ascent 49 50 Bregler and Omohundro with the altered external image energies. Empirically, surface-based tracking is far more robust than the "knowledge-free" approaches. While we have described the approach in the context of contour finding, it is much more general and we are currently extending the system to model more complex aspects of the image. The full lipreading system which combines the described tracking algorithm and a hybrid connectionist speech recognizer (MLP /HMM) is described in (Bregler and Konig 1994). Additionally we will use the lip surface to interpolate visual features to match them with the higher rate auditory features. 4 Conclusions We have presented the task of learning surfaces from data and described several important queries that the learned surfaces should support: completion, nearest point, interpolation, and prediction. We have described an algorithm which is capable of efficiently performing these tasks and demonstrated it on both synthetic data and on a real-world lip-tracking problem. The approach can be made computationally efficient using the "bumptree" data structure described in (Omohundro, 1991). We are currently studying the use of "model merging" to improve the representation and are also applying it to robot control. Acknowledgements This research was funded in part by Advanced Research Project Agency contract #NOOOO 1493 C0249 and by the International Computer Science Institute. The database was collected with a grant from Land Baden Wuerttenberg (Landesschwerpunkt Neuroinformatik) at Alex Waibel's institute. References C. Bregler, H. Hild, S. Manke & A. Waibel. (1993) Improving Connected Letter Recognition by Lipreading. In Proc. of Int. Conf. on Acoustics, Speech, and Signal Processing, Minneapolis. C. Bregler, Y. Konig (1994) "Eigenlips" for Robust Speech Recognition. In Proc. of Int. Conf. on Acoustics, Speech, and Signal Processing, Adelaide. M. Kass, A. Witkin, and D. Terzopoulos. (1987) SNAKES: Active Contour Models, in Proc. of the First Int. Conf. on Computer Vision, London. S. Omohundro. (1988) Fundamentals of Geometric Learning. University of Illinois at Urbana-Champaign Technical Report UIUCDCS-R-88-1408. S. Omohundro. (1991) Bumptrees for Efficient Function, Constraint, and Classification Learning. In Lippmann, Moody, and Touretzky (ed.), Advances in Neural Information Processing Systems 3. San Mateo, CA: Morgan Kaufmann. A. Yuille. (1991) Deformable Templates for Face Recognition, Journal of Cognitive Neuroscience, Volume 3, Number 1.
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Hoo Optimality Criteria for LMS and Backpropagation Babak Hassibi Information Systems Laboratory Stanford University Stanford, CA 94305 Ali H. Sayed Dept. of Elec. and Compo Engr. University of California Santa Barbara Santa Barbara, CA 93106 Thomas Kailath Information Systems Laboratory Stanford University Stanford, CA 94305 Abstract We have recently shown that the widely known LMS algorithm is an H OO optimal estimator. The H OO criterion has been introduced, initially in the control theory literature, as a means to ensure robust performance in the face of model uncertainties and lack of statistical information on the exogenous signals. We extend here our analysis to the nonlinear setting often encountered in neural networks, and show that the backpropagation algorithm is locally H OO optimal. This fact provides a theoretical justification of the widely observed excellent robustness properties of the LMS and backpropagation algorithms. We further discuss some implications of these results. 1 Introduction The LMS algorithm was originally conceived as an approximate recursive procedure that solves the following problem (Widrow and Hoff, 1960): given a sequence of n x 1 input column vectors {hd, and a corresponding sequence of desired scalar responses {di }, find an estimate of an n x 1 column vector of weights w such that the sum of squared errors, L:~o Idi w1 2 , is minimized. The LMS solution recursively hi 351 352 Hassibi. Sayed. and Kailath updates estimates of the weight vector along the direction of the instantaneous gradient of the squared error. It has long been known that LMS is an approximate minimizing solution to the above least-squares (or H2) minimization problem. Likewise, the celebrated backpropagation algorithm (Rumelhart and McClelland, 1986) is an extension of the gradient-type approach to nonlinear cost functions of the form 2:~o Id i - hi (W ) 12 , where hi ( .) are known nonlinear functions (e. g., sigmoids). It also updates the weight vector estimates along the direction of the instantaneous gradients. We have recently shown (Hassibi, Sayed and Kailath, 1993a) that the LMS algorithm is an H<Xl-optimal filter, where the H<Xl norm has recently been introduced as a robust criterion for problems in estimation and control (Zames, 1981). In general terms, this means that the LMS algorithm, which has long been regarded as an approximate least-mean squares solution, is in fact a minimizer of the H<Xl error norm and not of the JI2 norm. This statement will be made more precise in the next few sections. In this paper, we extend our results to a nonlinear setting that often arises in the study of neural networks, and show that the backpropagation algorithm is a locally H<Xl-optimal filter. These facts readily provide a theoretical justification for the widely observed excellent robustness and tracking properties of the LMS and backpropagation algorithms, as compared to, for example, exact least squares methods such as RLS (Haykin, 1991). In this paper we attempt to introduce the main concepts, motivate the results, and discuss the various implications. \Ve shall, however, omit the proofs for reasons of space. The reader is refered to (Hassibi et al. 1993a), and the expanded version of this paper for the necessary details. 2 Linear HOO Adaptive Filtering \Ve shall begin with the definition of the H<Xl norm of a transfer operator. As will presently become apparent, the motivation for introducing the H<Xl norm is to capture the worst case behaviour of a system. Let h2 denote the vector space of square-summable complex-valued causal sequences {fk, 0 :::; k < oo}, viz., <Xl h2 = {set of sequences {fk} such that f; fk < oo} k=O L = with inner product < {Ik}, {gd > 2:~=o f; gk ,where * denotes complex conjugation. Let T be a transfer operator that maps an input sequence {ud to an output sequence {yd. Then the H<Xl norm of T is equal to IITII<Xl = sup utO,uEh 2 IIyl12 II u l1 2 where the notation 111/.112 denotes the h 2 -norm of the causal sequence {ttd, viz., 2 ~<Xl * Ilull:? = L...Jk=o ttkUk The H<Xl norm may thus be regarded as the maximum energy gain from the input u to the output y. Hoc Optimality Criteria for LMS and Backpropagation Suppose we observe an output sequence {dd that obeys the following model: di = hT W + Vi (1) where hT = [hi1 hi2 hin ] is a known input vector, W is an unknown weight vector, and {Vi} is an unknown disturbance, which may also include modeling errors. We shall not make any assumptions on the noise sequence {vd (such as whiteness, normally distributed, etc.). Let Wi = F(d o, di, ... , di) denote the estimate of the weight vector W given the observations {dj} from time 0 up to and including time i. The objective is to determine the functional F, and consequently the estimate Wi, so as to minimize a certain norm defined in terms of the prediction error ei = hT W - hT Wi-1 which is the difference between the true (uncorrupted) output hT wand the predicted output hT Wi -1. Let T denote the transfer operator that maps the unknowns {w - W_1, {vd} (where W-1 denotes an initial guess of w) to the prediction errors {ed. The HOO estimation problem can now be formulated as follows. Problem 1 (Optimal HOC Adaptive Problem) Find an Hoc -optimal estimation strategy Wi F(d o, d 1, ... , d i ) that minimizes IITlloc' and obtain the resulting = !~ = inf IITII!:, = inf :F :F (2) sup w,vEh 2 = where Iw - w_11 2 (w - w-1f (w - W-1), and J1- is a positive constant that reflects apriori knowledge as to how close w is to the initial guess W-1 . Note that the infimum in (2) is taken over all causal estimators F. The above problem formulation shows that HOC optimal estimators guarantee the smallest prediction error energy over all possible disturbances offixed energy. Hoc estimators are thus over conservative, which reflects in a more robust behaviour to disturbance variation. Before stating our first result we shall define the input vectors {hd exciting if, and only if, N lim N-+oc L hT hi = 00 i=O Theoreln 1 (LMS Algorithm) Consider the model (1), and suppose we wish to minimize the Hoc norm of the transfer operator from the unknowns w - W-1 and Vi to the prediction errors ei. If the input vectors hi are exciting and o < J1- < i~f h:h. (3) tit then the minimum H oo norm is !Opt = 1. In this case an optimal Hoo estimator is given by the LA-IS alg01'ithm with learning rate J1-, viz. (4) 353 354 Hassibi, Sayed, and Kailath In other words, the result states that the LMS algorithm is an H oo -optimal filter. Moreover, Theorem 1 also gives an upper bound on the learning rate J-t that ensures the H oo optimality of LMS. This is in accordance with the well-known fact that LMS behaves poorly if the learning rate is too large. Intuitively it is not hard to convince oneself that "'{opt cannot be less than one. To this end suppose that the estimator has chosen some initial guess W-l. Then one may conceive of a disturbance that yields an observation that coincides with the output expected from W-l, i.e. hT W-l = hT W + Vi = di In this case one expects that the estimator will not change its estimate of w, so that Wi W-l for all i. Thus the prediction error is = ei = hTw - hTwi-l = hTw - hTw-l = -Vi and the ratio in (2) can be made arbitrarily close to one. The surprising fact though is that "'{opt is one and that the LMS algorithm achieves it. What this means is that LMS guarantees that the energy of the prediction error will never exceed the energy of the disturbances. This is not true for other estimators. For example, in the case of the recursive least-squares (RLS) algorithm, one can come up with a disturbance of arbitrarily small energy that will yield a prediction error of large energy. To demonstrate this, we consider a special case of model (1) where hi is now a scalar that randomly takes on the values + 1 or -1. For this model J-t must be less than 1 and we chose the value J-t .9. We compute the Hoo norm of the transfer operator from the disturbances to the prediction errors for both RLS and LMS. We also compute the worst case RLS disturbance, and show the resulting prediction errors. The results are illustrated in Fig. 1. As can be seen, the H OO norm in the RLS case increases with the number of observations, whereas in the LMS case it remains constant at one. Using the worst case RLS disturbance, the prediction error due to the LMS algorithm goes to zero, whereas the prediction error due to the RLS algorithm does not. The form of the worst case RLS disturbance is also interesting; it competes with the true output early on, and then goes to zero. = We should mention that the LMS algorithm is only one of a family of HOO optimal estimators. However, LMS corresponds to what is called the central solution, and has the additional properties of being the maximum entropy solution and the risksensitive optimal solution (Whittle 1990, Glover and Mustafa 1989, Hassibi et al. 1993b). If there is no disturbance in (1) we have the following Corollary 1 If in addition to the assumptions of Theorem 1 there is no disturbance in {1J, then LMS guarantees II e II~:::; J-t-1Iw - w_11 2 , meaning that the prediction error converges to zero. Note that the above Corollary suggests that the larger J-t is (provided (3) is satisfied) the faster the convergence will be. Before closing this section we should mention that if instead of the prediction error one were to consider the filtered error ej,i = hjw - hjwj, then the HOO optimal estimator is the so-called normalized LMS algorithm (Hassibi et al. 1993a). Hoo Optimality Criteria for LMS and Backpropagation 2.5 . - - - - - - - - - - ' a' - = - - - - - - - - , 1 0.98 0.96 0.94 0.92 0.5L-------------J o 50 0.9 0 50 0.5 r - - - - - - > -(d) =--------, (e) 0.5 \, o 1"'-" " -0.5 -l~---------~ o 50 -1L-------------------~ o 50 Figure 1: Hoo norm of transfer operator as a function of the number of observations for (a) RLS, and (b) LMS. The true output and the worst case disturbance signal (dotted curve) for RLS are given in (c). The predicted errors for the RLS (dashed) and LMS (dotted) algorithms corresponding to this disturbance are given in (d). The LMS predicted error goes to zero while the RLS predicted error does not. 3 Nonlinear HOO Adaptive Filtering In this section we suppose that the observed sequence {dd obeys the following nonlinear model (5) where hi (.) is a known nonlinear function (with bounded first and second order derivatives), W is an unknown weight vector, and {vd is an unknown disturbance sequence that includes noise and/or modelling errors. In a neural network context the index i in hi (.) will correspond to the nonlinear function that maps the weight vector to the output when the ith input pattern is presented, i.e., hi(W) h(x(i), w) where x(i) is the ith input pattern. As before we shall denote by Wi = :F(do, ... , di) the estimate of the weight vector using measurements up to and including time i, and the prediction error by = I ei = hi(w) - hi(Wi-1) Let T { W - denote the transfer operator that maps the unknowns/disurbances W -1 , { vd} to the prediction errors {e;}. Problem 2 (Optimal Nonlinear HOO Adaptive Problem) Find an Hoo-optimal estimation strategy Wi = :F(d o, d 1 , . .. , d i ) that minimizes IITllooI 355 356 Hassibi, Sayed, and Kailath and obtain the resulting i'~ = inf :F IITII~ = inf :F (6) sup w,vEh2 Currently there is no general solution to the above problem, and the class of nonlinear functions hi(.) for which the above problem has a solution is not known (Ball and Helton, 1992). To make some headway, though, note that by using the mean value theorem (5) may be rewritten as di = hi(wi-d + ~~ T (wi_d.(w - Wi-I) + Vi (7) where wi-l is a point on the line connecting wand Wi-I. Theorem 1 applied to (7) shows that the recursion (8) = will yield i' 1. The problem with the above algorithm is that the wi's are not known. But it suggests that the i'opt in Problem 2 (if it exists) cannot be less than one. Moreover, it can be seen that the backpropagation algorithm is an approximation to (8) where wi is replaced by Wi. To pursue this point further we use again the mean value theorem to write (5) in the alternative form ohi T ) 1 T 02hi(_ di = hi(wi-d+ ow (wi-d?(w-Wi-l +2(W-Wi-d . ow 2 wi-d?(w-Wi-d+Vi (9) where once more Wi-l lies on the line connecting Wi-l and w. Using (9) and Theorem 1 we have the following result. Theorem 2 (Backpropagation Algorithm) Consider the model (5) and the backpropagation algorithm Wi = Wi-l + J.L ohi Ow (wi-d(di - (10) hi(wi-d) then if the ~~i (Wi- d are exciting, and . f - - : : T =1- - - - - - o < J.L < In i (11) ill!.. ) ill!..( ow (Wi-I? ow wi-l ) then for all nonzero w, v E h 2: II ~~i w_112+ II Vi + !(w - II~ T (wi-d(w - wi-d -----------~~=-~--~~--~~--------------- J.L-11w where wi_d T ~:::J (wi-d?(w - Wi-I) II~ < - 1 Hoo Optimality Criteria for LMS and Backpropagation v; The above result means that if one considers a new disturbance = Vi + ~ (w Wi_I)T ~::J (Wi-I).(W - Wi-I), whose second term indicates how far hi(w) is from a first order approximation at point Wi-I, then backpropagation guarantees that the energy of the linearized prediction error ~~ T (wi-d(w - Wi-I) does not exceed the energy of the new disturbances W - W-l and v:. It seems plausible that if W-I is close enough to w then the second term in v~ should be small and the true and linearized prediction errors should be close, so that we should be able to bound the ratio in (6). Thus the following result is expected, where we have defined the vectors {hd persistently exciting if, and only if, for all a E nn Theorem 3 (Local Hoc Optimality) Consider the model (5) and the backpropagation algorithm (10). Suppose that the ~':: (Wi-I) are persistently exciting, and that (11) is satisfied. Then for each ( > 0, there exist cSt, ch > 0 such that for all Iw - w-ti < cSt and all v E h2 with IVil < 82, we have , 12 II I 2 Il-Ilw - w_112+ II v ej II~ < 1+( - The above Theorem indicates that the backpropagation algorithm is locally HOC optimal. In other words for W-l sufficiently close to w, and for sufficiently small disturbance, the ratio in (6) can be made arbitrarily close to one. Note that the conditions on wand Vi are reasonable, since if for example W is too far from W-l, or if some Vi is too large, then it is well known that backpropagation may get stuck in a local minimum, in which case the ratio in (6) may get arbitrarily large. As before (11) gives an upper bound on the learning rate Il, and indicates why backpropagation behaves poorly if the learning rate is too large. If there is no disturbance in (5) we have the following Corollary 2 If in addition to the assumptions in Theorem 3 there is no disturbance in (5), then for every ( > 0 there exists a 8 > 0 such that for all Iw - w-il < 8, the backpropagation algorithm will yield II e' II~:::; 1l- 18(1 + (), meaning that the prediction error converges to zero. Moreover Wi will converge to w. Again provided (11) is satisfied, the larger Il is the faster the convergence will be. 4 Discussion and Conclusion The results presented in this paper give some new insights into the behaviour of instantaneous gradient-based adaptive algorithms. We showed that ifthe underlying observation model is linear then LMS is an HOC optimal estimator, whereas if the underlying observation model is nonlinear then the backpropagation algorithm is locally HOC optimal. The HOC optimality of these algorithms explains their inherent robustness to unknown disturbances and modelling errors, as opposed to other estimation algorithms for which such bounds are not guaranteed. 357 358 Hassibi, Sayed, and Kailath Note that if one considers the transfer operator from the disturbances to the prediction errors, then LMS (backpropagation) is H OO optimal (locally), over all causal estimators. This indicates that our result is most applicable in situations where one is confronted with real-time data and there is no possiblity of storing the training patterns. Such cases arise when one uses adaptive filters or adaptive neural networks for adaptive noise cancellation, channel equalization, real-time control, and undoubtedly many other situations. This is as opposed to pattern recognition, where one has a set of training patterns and repeatedly retrains the network until a desired performance is reached. Moreover, we also showed that the H oo optimality result leads to convergence proofs for the LMS and backpropagation algorithms in the absence of disturbances. We can pursue this line of thought further and argue why choosing large learning rates increases the resistance of backpropagation to local minima, but we shall not do so due to lack of space. In conclusion these results give a new interpretation of the LMS and backpropagation algorithms, which we believe should be worthy of further scrutiny. Acknowledgements This work was supported in part by the Air Force Office of Scientific Research, Air Force Systems Command under Contract AFOSR91-0060 and in part by a grant from Rockwell International Inc. References J. A. Ball and J. W. Helton. (1992) Nonlinear H oo control theory for stable plants. Math. Control Signals Systems, 5:233-261. K. Glover and D. Mustafa. (1989) Derivation of the maximum entropy H oo controller and a state space formula for its entropy. Int. 1. Control, 50:899-916. B. Hassibi, A. H. Sayed, and T. Kailath. (1993a) LMS is HOO Optimal. IEEE Conf. on Decision and Control, 74-80, San Antonio, Texas. B. Hassibi, A. H. Sayed, and T. Kailath. (1993b) Recursive linear estimation in Krein spaces - part II: Applications. IEEE Conf. on Decision and Control, 34953501, San Antonio, Texas. S. Haykin. (1991) Adaptive Filter Theory. Prentice Hall, Englewood Cliffs, NJ. D. E. Rumelhart, J. L. McClelland and the PDP Research Group. (1986) Parallel distributed processing: explorations in the microstructure of cognition. Cambridge, Mass. : MIT Press. P. Whittle. (1990) Risk Sensitive Optimal Control. John Wiley and Sons, New York. B. Widrow and M. E. Hoff, Jr. (1960) Adaptive switching circuits. IRE WESCON Conv. Rec., Pt.4:96-104. G. Zames. (1981) Feedback optimal sensitivity: model preference transformation, multiplicative seminorms and approximate inverses. IEEE Trans. on Automatic Control, AC-26:301-320.
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Optimal Stopping and Effective Machine Complexity in Learning Changfeng Wang Department of SystE'IIlS Sci. (Iud Ell/!,. UJliversity of PPIIIlsylv1I.Ili(l Philadelphin, PA, U.S.A. I!HlJ4 Salltosh S. Venkatesh Dp?artn}(,llt (If Elf'drical EugiJlPprinJ!, UIIi v('rsi ty (If Ppnllsyl va nia Philadelphia, PA, U.S.A. 19104 J. Stephen Judd Siemens Corporate Research 755 College Rd. East, Princeton, NJ, U.S.A. 08540 Abstract We study tltt' problem of when to stop If'arning a class of feedforward networks - networks with linear outputs I1PUrOIl and fixed input weights - when they are trained with a gradient descent algorithm on a finite number of examples. Under general regularity conditions, it is shown that there a.re in general three distinct phases in the generalization performance in the learning process, and in particular, the network has hetter gt'neralization pPTformance when learning is stopped at a certain time before til(' global miniIl111lu of the empirical error is reachert. A notion of effective size of a machine is rtefil1e<i and used to explain the trade-off betwf'en the complexity of the marhine and the training error ill the learning process. The study leads nat.urally to a network size selection critt'rion, which turns Ol1t to be a generalization of Akaike's Information Criterioll for the It'arning process. It if; shown that stopping Iparning before tiJt' global minimum of the empirical error has the effect of network size splectioll. 1 INTRODUCTION The primary goal of learning in neural nets is to find a network that gives valid generalization. In achieving this goal, a central issue is the trade-off between the training error and network complexity. This usually reduces to a problem of network size selection, which has drawn much research effort in recent years. Various principles, theories, and intuitions, including Occam's razor, statistical model selection criteria such as Akaike's Information Criterion (AIC) [11 and many others [5, 1, 10,3,111 all quantitatively support the following PAC prescription: between two machines which have the same empirical error, the machine with smaller VC-dimf'nsion generalizes better. However, it is noted that these methods or criteria do not npcpssarily If'ad to optimal (or llearly optimal) generalization performance. Furthermore, all of these m<.'thods are valid only at th~ global minimum of thf' empirical error function (e.g, the likelihood function for AIC), and it is not clear by these methods how the generalization error is f'ffected by network complexity or, more generally, how a network generalizes during the learning process. This papPI acldrf'f;sPs these issues . 303 304 Wang, Venkatesh, and Judd Recently, it has often been observed that when a network is 'trained by a gradient descent algorithm, there exists a critical region in the training epochs where the trained network generalizes best, and after that region the generalization error will increase (frequently called over-training). Our numerical experiments with gradient-type algorithms in training feedforward networks also indicate that in this critical region, as long as the network is large enougb to learn the examples, the size of the network plays little role in the (hest) generalization performance of the network. Does this mean we must revise Occam's principle? How should one define the complexity of a network and go about tuning it to optimize geIlNalization performance? When should one stop learning? Although relevant learning processes wen' treatccJ by nUlll<'TOIIS authors [2, 6, 7, 4], the formal theoretical studies of these problems are abeyant. Under rather general regularity conditions (Section 1), we give in Section 2 a theorem which relates the generalization error at each epoch of learning to that at the global minimum of the training error. Its consequence is that for any linear machine whose VC-dimension is finite but large enough to learn the target concept, the number of iterations needed for the best generalization to occur is at the order of the logarithm of the sample size, rather than at the global minimum of the training error; it also provides bounds on the improvement expected. Section 3 deals with the relation between the size of the machine and generalization error by appealing to the concept of effective size. Section 4 concerns the application of these results to the problem of network size selection, where the AIC is generalized to cover the time evolution of the learning process. Finally, we conclude the paper with comments on practical implementation and further research in this direction. 2 THE LEARNING MACHINE The machine we considf'f acc.epts input v('ctors X from an arbitrary input space and produc('s scalar outputs d Y = 2: 1./;,(X)n', + ? = 1/J(X)'o:* + ?. (1) .=1 Here, 0:* = (0:*1, . . . ,0:' d)' is a fixed vect.or of real weights, for eac.h i, 1./;,(X) is a fixed real fUBction of the inpnts, with 1/J(X) = (1/JI (X), . . . ,t/Jd(X)), the corresponding vedor of functions, and ~ is a random noise term. The machine (1) can be thought of as a feedforward nenral network with a fixed front end and variable weights at the output. In particular, the functions 1/J; can represent fixed polynomials (higher-order or sigma-pi neural networks), radial basis functions with fixed centers, a fixed hidden-layer of sigmoidal neurons, or simply a linear map. In this context, N. J. Nilsson [8) has called similar structures cI>-machines. We consider the problem of learning from examples a relationship between a random variable Y and an n-dimensional random vector X. We assume that this function is given by (1) for some fixed integer d, the random vector X and random variable ~ are defined on the same probability space, that E [~IX) = 0, and (12(X) = Var{?lX) = constant < 00 almost surely. The smallest eigenvalue of the matrix 1fJ(x)1fJ(x ) is assumed to be bounded from below by the inverse of some square integrable function. Note that it can be shown that the VC-dirnension of the class of cI>-machines with d neurons is d under the last assumption. The learning-theoretic properties of the system will be determined largely by the eigen structure of cI>. Accordingly, let >'1 ~ >'2 ~ ... ~ >'d denote the eigenvalues of cI>. The goal of the learning is to finei the true concept 0: given independently drawn examples (X, y) from (1). Given any hypothesis (vector) W = (WI, ... ,Wd)' for consideration as an approximation to the true concept 0:, the performance measure we use is the mean-square prediction (or ensemble) error (2) ?(W) = E (Y -1/J(X)'w( Note that the true concept 0:* is the mean-square solution 0:* = argmin?(w) tv = cI>-IE (1/J(X)y), (3) Optimal Stopping and Effective Machine Complexity in Learning and the minimum predict.ion error is given by ?(0) = lllinw E.(w) = u'l. Let 11. be the nUmbE'f of samples of (X,} -). WE' assume that an independent, ic\entkally distributed sample (X(1),y(J), ... , (x(n),y(n), generated according to the joint distribution of (X, Y) induced by (1), is provided to thE:' IE:'arner. To simplify notation, define thE' matrix 'It == [",,(X(l) . . . ""(X(",) ) and the corresponding vector of outputR y = (y(l), . . . , y(n))'. In analogy with (2) define the empirical error 011 the sample by Let a denote the hypothesis vector for which t.he empirical error 'Vw?(o) = O. Analogously with (3) we can thell show that 011 the sample is minimized: (4) where cj, = t- 'It 'It' is the empirical covariallre matrix, whirh is almost surely nonsingular for large n. The terms in (4) are the empirical counterparts of the ensemble averages in (3). The gradient descent algorithm is givf'n by: (5) where 0 = (01,02, we can get . . . ,03 )" t is the number of iterations, and a, where ~(t) = (I - ?ci?t, clIld 00 = (I - ~(t?o ? is the rate of learning. From this + ~(t.)oo, (6) is the initial weight vector. The limit of Ot is n when t. goes to infinity, provided ci> is positive definite and the learning rate small enough (Le., smaller than the smallest eigenvalue of ci?. This implies that the gradient descent algorithm converges to the least squarE'S solution, starting from any point in Rn. ? is 3 3.1 GENERALIZATION DYNAMICS AND STOPPING TIME MAIN THEOREM OF GENERALIZATION DYNAMICS Even if the true concept (i.e., the precise relation between Y and X in the current problem) is in the class of models we consider, it is usually hopeless to find it using only a finite number of examples, except in some trivial cases. Our goal is hf'nce less ambitious; we seek to find the best approximation of the true concept, the approach entailing a minimization of the training or empirical error, and then taking the global minimum of the empirical error a as the approximation. As we have seen the procedure is unbiased and consistent. Does this then imply that training should always be carried out to the limit? Surprisingly, the answer is 110. This assertion follows from the next theorem. Theorem 3.1 Let Mn > 0 be an arbitrary f'eal constant (possibly depending on 11.), and suppose a.~s1tm.ptions Al to A.'I af'C satisfied; then the rwnrralizatioll dynamics in the training process are gOllerned "y the follolllinq rquatioll.: uniformly for all initial weight ver.iors, no in the d-dim.ensional ball {n* and for all t > O. + 8 : 11811 ~ M n , 8 E R d }, 0 305 306 Wang, Venkatesh, and Judd 3.2 THREE PHASES IN GENERALIZATION By Theorem 3.1, the mean gelleralil':ation <'nor at each epoch of the t.raining proc?'ss is characterized by the following function: ?J(t) == t ['\,8~(1 ~(1 - f'\,)2' - 20- 2 (1 - ?,\;)t[1n 2 - f,\;)'I] . . ,=1 The analysis of the evolution of generalization with training is facilitated by treating ?J(.) as a function of a continuotls tinlf' parameter f. \Ve will show that. there are three distinct phases in generalization dynamics. These results are givpn in the following in form by several corollaries of Theorem 3.1. Without loss of geIH'rality, w<' assnllJ(' th<' init.ial w<'ight ve-ctm is pickerl 11)1 in a region with 1", = 11I(l/1:.~?.x?r1)f, the-II for all 0 S; t < f, _ 11811 ~ Mn = 0(11?), and in particular, 181 = O(I/ n ). L<'t 2111(1;'t'1~ ?.x.r1)' we have 0::; 7', < ~,and thus d L '\i"; (1 :.I 1 "T, ?> 0(-1n'" f,\r/) 2' = O( - -12 .=-1 :.I 3 -. ) = -20n L (1 - ' tI f'\;) . ;= 1 The quantity 8; (1 - ?A;) 2t in the fi rst term of t he above inequalities is related to the elimination of initial error, and can be defined as the approximation error (or fitting error); the last term is related to the effective complexity of the network at t (in fact, an order O( ~) shift of the complexity (,rror). The definition and observations here will be discussed in more detail ill the next section. We call the learning process during the time interval 0 ~ t S; tl the first Siuce ill this interval ?J(t) = 0(,,-2,?,) is n lIlollutollkally df'Cfeasillg function of i, error decreases monotonically ill the first phase of It'arning. At the end of first ?J(tl) = O( ~), therefore the generalization error is ?(nt,) = [(nco) + O( ~). As a statements we have the following mroJlary. phase of learning. the g('neralil':atiou phase of learning snmmary of these Corollary 3.2 In the first phase of learning, the complexity error is dominated by the approximation error, and within an order of O( ~) I the generalization eTTor decrea.5es monotonically in the lrarnin.q process to ? (noo) + O( ~) at the end of first pha.~e. 0 For f > t 1 , we can show by Thp.orem 3.1 t ha t t It(' g<'llcralizatioll dynamics is given by thp. following equation, where 8" == n(tl) - n~, 20?a(at,+t) = ?a(ao) - - 2 n when~ p~ L(l - f'\i) , cI [ 1 1 - - (1 2 ,=1 2 + Pi) (1 - f'\i) ,] _1 + O(n 2), == ,\j8;(tl )n./0- 2 , which is, with probahility a.pproaching one, of ordPf O(nO). Without causing confusion, WP. stillnse ?J(-) for the new time-varying part of the gf'neralization error. The function ?J(.) has much more complex behavior after tl than in the first phase of learninr;. As we will see, it decreases for some time, and finally begins to increase again. In particular, we found the best generalization at tha.t t where ?J( t) is minimized. (It is noted that 8tl is a random variable now, and the following statements of the generalization dynamics are ill the sense of with probability approaching one as n -+ 00 .) Define the optimal stopping tim<': f",ill == argmin{?(a,) : t E [D,oo!}, i.e., the epoch corresponding to the smallest gPllPralization Pfror. Then we can prove the following corollaries: Corollary 3.3 The optimal stoppin.q time t",ill = O(ln 71.), p1'Ovided 0- 2 > D. In particular, the following inequalities hold: 2 2 . In(l+p,) d In(I+Pj) b h tf = t\ + nlIn, In(I/[1 -,.x,I) an ttL = tl + max, 111(1/[1-,,\.)) are ot finite real numbers. Th at is, the smallest generalization occurs before the global minimum of the empirical err07' is 1?eachcd. ., 111 tere 1. tt S; tmin ~ tl/, Optimal Stopping and Effective Machine Complexity in Learning 2. ?C) (tmcking the gencmlizntio7! eTTor) decreases monotonically for t monotonically tn zero for t > tu; fuf'thermore, tmin is unique if tt + < tf and increases :x > tu. In 2 In(I/[I- < I? - 3. _",2 "d 1 --L,., ,. 0t= < ?(tmin) < - H.pi - _",2 n -2!L[...h.~d ]1' where'" = 11l(1-<~I) and 1+1' 1'+1 +p' ' I n ( I - ( d)' (12 _ "d - 0t=1 p2 i' In accordance with our earlier definitions, We' call the learning proeess during the time intl'rval between tl and t" til(' s('cond pitas(' of l('aruinl1;; and the rest of timl' til(' third phasf' of learning. According to Corollary 3.3, for t > tlL sufficiently large, the gell('ralization error is uniformly better than at the globalminimuIn, a, of the empirieal error, although minimum generalization error is achieved betwel'n t f and tu. The generalization error is redllced hy. at least. - ",2 AJ1' ,. -2!L 1+1' [...h.+ l' I n+p over that for a if we stop training at. a prop<'f time. For a fixed nUlnlwr of it'aming examples, the larger is the ratio d/lI, the larger is til(' improvement in generalization error if the algorithm is stopped before the glohal minimum n? is reariwd . 4 THE EFFECTIVE SIZE OF THE MACHINE Our concentration on dynamics and our seeming disregard for complexity do not conflict with the learning-theoretic focus on VC-dimension; in fact, the two attitudes fit nicely together . This section explains the generalization dynamics by introducing the the concept of effective complexity of the machine. It is argued that early stopping in drect sets the l'ffective size of the network to a value smaller than its VC-dimension. The effective size of the machine at time t is defined to be d(t) == L~=1 [1 - (1 - d.,)fJ2, which increases monotonically to d, the VC-dimensioll of the network, as t -+ 00. This definition is justified after the following theorem: Theorem 4.1 Under the a.5sumptions of Them'em 3.1, the following equation holds uniformly for nil no such that 1151 ~ 111n, (7) o In the limit of learning, we have by letting t -+ 00 in the above equation, 2 ?(a) =?(a*)+ ~d+O(n-~) n (8) Hence, to an order of O(n-1.5), the generalization error at the limit of training breaks into two parts: the approximation error ?(0 0 ) , and the complexity error ~0'2 . Clearly, the latter is proportional to d, the VC-dimension of the network. For all d's larger than necessary, ?(a*) remains a constant, and the generalization error is determined solely by ~. The term ?(a.,t) differs from ?(0*) only in terms of initial error, and is identified to be the approximation error at t. Comparison of the above 2 two equations thus shows that it is reasonable to define ':. d(t) as the complexity error at t, and justifies the definition of d(t) as the effective size of the machine at the same time. The quantity d(t) captures the notion of the degree to which the capacity of the machine is used at t. It depends on the machine parameters, the a.lgorithm being IIsed , and the marginal distribution of X. Thus, we see from (7) that the generalization error at epoch t falls into the same two parts as it does at the limit: the approximation error (fitting error) and the complexity error (determined by the effective size of the machine). As we have show in the last section, during the first phase of learning, the complexity error is of higher order in n compared to the fitting error during the first phase of learning, if the initial error is of order O(nO) or largN . Thus derrpase of til(' fitting error (which is proportional to the training error, as we will see in the next section) illl plies the decrpase of the generalization error. However, 307 308 Wang, Venkatesh, and Judd when the fitting error is brought down to the order O( ~), thE' decreas~ of fitting error will no longer imply th~ decreasE' of the' genc>rali?:ation error. In fact, by the ahoVf' t.heorem , the generali?:ation error at t + tl can be written as The fitting error and the complexity error compete at order O( ~) during the second phase oflearning. After the second the phase of icarning, th(' complexity error dominates the fitting error, still at tilE' order of O( ~) . Furthermore, if we define K == 1 ~. d~lp2 J', then by the above equation and (3.3), we have [#I Corollary 4.2 At the optimal 8topping time, holds, flip following u1J11er bound (m the generalization error Since K is a quantity of order 0(71,?), (1 - K)d is strictly smaller than d. Thus stopping training at tmin has the same effed as using a smaller machine of size less than (1 - K)d and carrying training out to the limit! A more detailed analysis reveals how the effective size of the machine is affected by each neuron in thE' learning process (omitted dne to the space limit). REMARK: The concept of effE'ctive size of the machine can be defined similarly for an arbitrary starting point. However, to compare the degree to which the capacity of the machine has been used at t, one must specify at what distance between the hypothesis a and the truth o' is such comparison started. While each point in the d-diuwnsional Euclidean space can be rega.rded as a hypothesis (machine) about 0*, it is intuitively dear that earh of these machines has a different capacity to approximate. it. But it is r('asonable to think that all of the machines that a.re 011 the same sphere {a : 10 - 0*1 = r}, for each ,. > 0, haW' the same capacity in approximating 0*. Thus, to compare the capacity being llsed at t, we mllst specify a sl)('cifk sphere as the starting point; defining the effective size of the marhillc at t withont spedfying the starting sphere is clearly meallingless. As we have seen, r ~ is found to be a good choice for our purposes. 7; 5 NETWORK SIZE SELECTION The next theorem relates the generalization error and training error at E'ach epoch of learning, and forms the basis for choosing the optimal stopping time as well as the best size of the machine during the learning process. In the limit of the learning process, the criterion reduces to the well-known Akaike Information Criterion (AIC) for statistical model selection. Comparison of the two criteria reveals that our criterion will result in better generalization than AIC, since it incorporates the information of each individual neuron rather than just the total number of neurons as in the Ale. Theorem 5.1 A.9suming the learning algorithm converges, and the conditions of Theorem 3.1 are satisfied; then the following equation holds: ? ((t,) IIIhr.rr r(d, t) = 2~~_ 2:7-1[J = (1 + () (] ?E ? 1I ( 0, ) + r( d, t) + 0 ( ~ ) (9) o -- (1 -- rAj)'1 A(~('ording to this th('orl'lIl, We' find an M;.YIIlJllotically unbiased estimate of ?(u,) to ht' ?,,(0,) + C(d, t) when (J"2 is known . This results in the following criterion for finding the optimal stopping time and network size: min{?n(at) + C(d, t) : d, t = 1,2, .. .} (10) Optimal Stopping and Effective Machine Complexity in Learning When t goes to infinity, the above criterion becomes: : d = 1,2, . . . } (11) n which is the AIC for choosing the b!:'st siz!:' of networks. Therefore, (10) can be viewed as an extension of the AIC to the learning process. To understand the differences, consider the case when ~ has standard normal distribution N(O, (12) . Under this assumption, the Maximum Likelihood (ML) estimation of the weiglJt vectors is the saine as the Mean Square estimation. The AIC was obtained by minimizing E !::~:: i~l, the K ullback-Leibler distance of the density function f 0 M L (X) with aML being the ML estimation of n and that of the true density 10' This is equivalent. to minimizing Iimt--+ooE(Y - lo,(X))2 = E(Y - fOML(X))2 (assuming the limit and the expectation are interchangeable) . Now it is dear that while AIC chooses networks only at the limit of learning, (10) does this in the whole learning procef1s. Observe that the matrix 4' is now exactly the Fisher Information Matrix of the density function f.,(X), and Ai is a measure of the capacity of 'ljJi in fitting the relation b!:'tween X and Y. Therefore Hllr criterion incorporates the information about each specific neuron provided by the Fisher Information Matrix, which is a measure of how well the data fit the model. This implies that there are two aspects in finding the trade-off between the model complexity and the empirical error in order to minimize the generalization error: one is to have the smallest number of neurons and the other is to minimize the utilization of each neuron . The AIC (and in fact most statistical model selection criteria) are aimed at the former, while our criterion incorporates the two aspects at the same time. We have seen in the earlier discussions that for a given number of neurons, this is done by using the capacit.y of each neuron in fitting the data only to the degree 1 - (1 - fA,)t",;" rather than to its limit. min{?,,(&) 6 + 2(12d CONCLUDING REMARKS To the best of our knowledge, the results described in this paper provide for the first time a precise language to describe overtraining phenomena in [('arning machin!:'s such as neural networks. We have studied formally the generalization process of a linear machine when it is trained with a gradient descent algorithm . The concept of effective size of a machine was introduced to break the generalization error into two parts: t.he approximation error and the error caused by a complexity term which is proportional to effective size; the former decreases monotonically and the later increases monotonically in the learning proress. When the machine is trained on a finite number of examples, there are in general three distinct phases of l!:'arning according to the relative magnitude of the fitting and complexity errors. In particular, there exists an optimal stopping time tmin = O(lnn) for minimizing generalization error which occurs before the global minimum of the empirical error is reached . These results lead to a generalization of the AIC in which the effect of certain network parameters and time of learning are together taken into account in the network size selection process. For practical application of neural networks , these results demonstrate that training a network to its limits is not desirable. From the learning-theoretic- point of view, the concept of effective dimension of a network t!:'Us us that we need more than thp VC-dimension of a machine to describe the generalization properties of a machine, excppt in the limit of learning. The generalization of the AIC reveals some unknown factf1 ill statistical model selection theory: namely, the generalization error of a network is affeded not only by the number of parameters but also by the degree to which each parametf'r is act.ually used in the learning process. Occam's principle therefore stands in a subtler form: Make minimal ILse of the ca.pacity of a network for encoding the information provided by learning samples. Our results hold for weaker assumptions than were made herein about the distributions of X The case of machines that have vector (rather than scalar) outputs is a simple generalization. Also, our theorems have recently been generalized to the case of general nonlinear machines and are not restricted to the squared error loss function. and~. While the problem of inferring a rule from the observational data has been studied for a long time in learning theory as well as in other context sHch (IS in Linear and Nonlinear Regression, the 309 310 Wang, Venkatesh, and Judd study of the problem as a dynamical process seems to open a new ave~ue for looking at the problem. Many problems are open. For example, it is interesting to know what could be learned from a finite number of examples in a finite number of itf'rations in the case where the size of the machine is not small compared to the sample size. Acknowledgments C. Wang thanks Siemens Corporate Research for slIpport during the summer of 1992 whE'n t.his research was initiated . Thp work of C. Wang aud S. Venkatesh has bf'en supported in part by thp Air Force Office of Srif'lIt.ific Rpsparrh unrler grant. F49620-93-1-0120. References [1) Akaike, H. (1974) Informat.ion theory and an extension of the maximum likelihood principle. Second International Sym.lJosimn on Information Theory, Ed. B.N. Krishnaiah, North Holland, Amsterdam, 27-4l. [2) Baldi, P . and Y. Chauvin (1991) Temporal evolution of generalization during learning in linear networks . Neural Communication. 3,589-603. [3] Chow, G. C. (1981) A comparison of the information and posterior probability criteria for model selection . Journal of Econometrics 16, 21-34 . (4) Hansen, Lars Ka.i (1993) Stochastic linear learning: E'xact test and training error averages. Neural Network.~, 4, 393-396. [5] Haussler, D. (1989) Decision theoretical gE'neralization of the PAC model for neural networks and other learning applications. Preprillt. (6) Heskes, Tom M. and Bert Kappen (1991) Learning processes in neural networks . Physical Review A, Vol 44, No.4, 2718- 2726. [7) Kroght, Anders and John A. Herts Generalization in a linear percept ron in th e presence of noise. Preprint. [8) Nilsson, N. J. Learning Machine.5 . New York: McGraw Hill. (9) Pinelis, I., and S. Utev (1984) Estimates of moments of SUms of independent random variables. Theory of Probability and It.5 Application.5. 29 (1984) 574-577. [10] Rissanen, J . (1987) Stochastic complE'xity. J. Royal Stati.5tical Society. Series B, Vol. 49, No. 3, 223-265. [l1J Schwartz, G. (1978) Estimating till' dimellsion of a model. Annals of Stati.stic.9 6, 461-464. [12] Sazonov, V. (1982). On the accuracy of normal approximation. Journal of multivariate analysis . 12, 371-384. [13] Senatov, V. (1980) Uniform estimates of the rate of convergence in the multi-dimensional central limit theorem. Theory of Probability and Its Applications. 25 (1980) 745-758. [14] Vapnik, V. (1992) Measuring the capacity of learning machines (I). Preprint . [15) Weigend, S.A. and Rllmelhart (1991) . Generalization through minimal networks with application to forcasting. INTERFACE'91-23rd Symposium on the Interface: Computing Science and Statistics, ed. E. M., Keramidas, pp362-370. Interface Foundation of North America.
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Grammatical Inference by Attentional Control of Synchronization in an Oscillating Elman Network Bill Baird Dept Mathematics, U.C.Berkeley, Berkeley, Ca. 94720, [email protected] Todd Troyer Dept of Phys., U.C.San Francisco, 513 Parnassus Ave. San Francisco, Ca. 94143, [email protected] Frank Eeckman Lawrence Livermore National Laboratory, P.O. Box 808 (L-270), Livermore, Ca. 94550, [email protected] Abstract We show how an "Elman" network architecture, constructed from recurrently connected oscillatory associative memory network modules, can employ selective "attentional" control of synchronization to direct the flow of communication and computation within the architecture to solve a grammatical inference problem. Previously we have shown how the discrete time "Elman" network algorithm can be implemented in a network completely described by continuous ordinary differential equations. The time steps (machine cycles) of the system are implemented by rhythmic variation (clocking) of a bifurcation parameter. In this architecture, oscillation amplitude codes the information content or activity of a module (unit), whereas phase and frequency are used to "softwire" the network. Only synchronized modules communicate by exchanging amplitude information; the activity of non-resonating modules contributes incoherent crosstalk noise. Attentional control is modeled as a special subset of the hidden modules with ouputs which affect the resonant frequencies of other hidden modules. They control synchrony among the other modules and direct the flow of computation (attention) to effect transitions between two subgraphs of a thirteen state automaton which the system emulates to generate a Reber grammar. The internal crosstalk noise is used to drive the required random transitions of the automaton. 67 68 Baird, Troyer, and Eeckman 1 Introduction Recordings of local field potentials have revealed 40 to 80 Hz oscillation in vertebrate cortex [Freeman and Baird, 1987, Gray and Singer, 1987]. The amplitude patterns of such oscillations have been shown to predict the olfactory and visual pattern recognition responses of a trained animal. There is further evidence that although the oscillatory activity appears to be roughly periodic, it is actually chaotic when examined in detail. This preliminary evidence suggests that oscillatory or chaotic network modules may form the cortical substrate for many of the sensory, motor, and cognitive functions now studied in static networks. It remains be shown how networks with more complex dynamics can performs these operations and what possible advantages are to be gained by such complexity. We have therefore constructed a parallel distributed processing architecture that is inspired by the structure and dynamics of cerebral cortex, and applied it to the problem of grammatical inference. The construction views cortex as a set of coupled oscillatory associative memories, and is guided by the principle that attractors must be used by macroscopic systems for reliable computation in the presence of noise. This system must function reliably in the midst of noise generated by crosstalk from it's own activity. Present day digital computers are built of flip-flops which, at the level of their transistors, are continuous dissipative dynamical systems with different attractors underlying the symbols we call "0" and "1". In a similar manner, the network we have constructed is a symbol processing system, but with analog input and oscillatory subsymbolic representations. The architecture operates as a thirteen state finite automaton that generates the symbol strings of a Reber grammar. It is designed to demonstrate and study the following issues and principles of neural computation: (1) Sequential computation with coupled associative memories. (2) Computation with attractors for reliable operation in the presence of noise. (3) Discrete time and state symbol processing arising from continuum dynamics by bifurcations of attractors. (4) Attention as selective synchronization controling communication and temporal program flow. (5) chaotic dynamics in some network modules driving randomn choice of attractors in other network modules. The first three issues have been fully addressed in a previous paper [Baird et. al., 1993], and are only briefly reviewed. ".le focus here on the last two. 1.1 Attentional Processing An important element of intra-cortical communication in the brain, and between modules in this architecture, is the ability of a module to detect and respond to the proper input signal from a particular module, when inputs from other modules irrelevant to the present computation are contributing crosstalk noise. This is smilar to the problem of coding messages in a computer architecture like the Connection Machine so that they can be picked up from the common communication buss line by the proper receiving module. Periodic or nearly periodic (chaotic) variation of a signal introduces additional degrees of freedom that can be exploited in a computational architecture. We investigate the principle that selective control of synchronization, which we hypopthesize to be a model of "attention", can be used to solve this coding problem and control communication and program flow in an architecture with dynamic attractors. The architecture illust.rates the notion that synchronization not only "binds" sen- Grammatical Inference by Attentional Control of Synchronization sory inputs into "objects" [Gray and Singer, 1987], but binds the activity of selected cortical areas into a functional whole that directs behavior. It is a model of "attended activity" as that subset which has been included in the processing of the moment by synchronization. This is both a spatial and temporal binding. Only the inputs which are synchronized to the internal oscillatory activity of a module can effect previously learned transitions of at tractors within it. For example, consider two objects in the visual field separately bound in primary visual cortex by synchronization of their components at different phases or frequencies. One object may be selectively attended to by its entrainment to oscillatory processing at higher levels such as V4 or IT. These in turn are in synchrony with oscillatory activity in motor areas to select the attractors there which are directing motor output. In the architecture presented here, we have constrained the network dynamics so that there exist well defined notions of amplitude, phase, and frequency. The network has been designed so that amplitude codes the information content or activity of a module, whereas phase and frequency are used to "softwire" the network. An oscillatory network module has a passband outside of which it will not synchronize with an oscillatory input. Modules can therefore easily be de synchronized by perturbing their resonant frequencies. Furthermore, only synchronized modules communicate by exchanging amplitude information; the activity of non-resonating modules contributes incoherant crosstalk or noise. The flow of communication between modules can thus be controled by controlling synchrony. By changing the intrinsic frequency of modules in a patterned way, the effective connectivity of the network is changed. The same hardware and connection matrix can thus subserve many different computations and patterns of interaction between modules without crosstalk problems. The crosstalk noise is actually essential to the function of the system. It serves as the noise source for making random choices of output symbols and automaton state transitions in this architecture, as we discuss later. In cortex there is an issue as to what may constitute a source of randomness of sufficient magnitude to perturb the large ensemble behavior of neural activity at the cortical network level. It does not seem likely that the well known molecular fluctuations which are easily averaged within one or a few neurons can do the job. The architecture here models the hypothesis that deterministic chaos in the macroscopic dynamics of a network of neurons, which is the same order of magnitude as the coherant activity, can serve this purpose. In a set of modules which is desynchronized by perturbing the resonant frequencies of the group, coherance is lost and "random" phase relations result. The character of the model time traces is irregular as seen in real neural ensemble activity. The behavior of the time traces in different modules of the architecture is similar to the temporary appearance and switching of synchronization between cortical areas seen in observations of cortical processing during sensory/motor tasks in monkeys and humans [Bressler and Nakamura, 1993]. The structure of this apparently chaotic signal and its use in network learning and operation are currently under investigation. 2 Normal Form Associative Memory Modules The mathematical foundation for the construction of network modules is contained in the normal form projection algorithm [Baird and Eeckman, 1993]. This is a learning algorithm for recurrent analog neural networks which allows associative memory storage of analog patterns, continuous periodic sequences, and chaotic 69 70 Baird, Troyer, and Eeckman attractors in the same network. An N node module can be shown to function as an associative memory for up to N /2 oscillatory, or N /3 chaotic memory attractors [Baird and Eeckman, 1993]. A key feature of a net constructed by this algorithm is that the underlying dynamics is explicitly isomorphic to any of a class of standard, well understood nonlinear dynamical systems - a normal form [Guckenheimer and Holmes, 1983]. The network modules of this architecture were developed previously as models of olfactory cortex with distributed patterns of activity like those observed experimentally [Baird, 1990, Freeman and Baird, 1987]. Such a biological network is dynamically equivalent to a network in normal form and may easily be designed, simulated, and theoretically evaluated in these coordinates. When the intramodule competition is high, they are "memory" or winner-take-all cordinates where attractors have one oscillator at maximum amplitude, with the other amplitudes near zero. In figure two, the input and output modules are demonstrating a distributed amplitude pattern ( the symbol "T"), and the hidden and context modules are two-attractor modules in normal form coordinates showing either a right or left side active. In this paper all networks are discussed in normal form coordinates. By analyzing the network in these coordinates, the amplitude and phase dynamics have a particularly simple interaction. When the input to a module is synchronized with its intrinsic oscillation, the amplitude of the periodic activity may be considered separately from the phase rotation. The module may then be viewed as a static network with these amplitudes as its activity. To illustrate the behavior of individ ualnetwork modules, we examine a binary (twoattractor) module; the behavior of modules with more than two attractors is similar. Such a unit is defined in polar normal form coordinates by the following equations of the Hopf normal form: rli 1l.i r li - Cdi + (d - bsin(wclockt))rli r 5i + L wtlj cos(Oj - Oli) j rOi 1l.j r Oi - crg i + (d - bsin(wclockt))roirii +L wijlj cos(Oj - OOi) j Oli Wi +L wt(Ij /1?li) sin(Oj - Oli) j OOi Wi +L wij(Ij/rOi) sin(Oj - OOi) j The clocked parameter bsin(wclockt) is used to implement the discrete time machine cycle of the Elman architecture as discussed later. It has lower frequency (1/10) than the intrinsic frequency of the unit Wi. Examination of the phase equations shows that a unit has a strong tendency to synchronize with an input of similar frequency. Define the phase difference cp = 00 - OJ = 00 - wJt between a unit 00 and it's input OJ. For either side of a unit driven by an input of the same frequency, WJ = Wo, There is an attractor at zero phase difference cp = 00 - OJ and a repellor at cp 180 degrees. In simulations, the interconnected network of these units described below synchronizes robustly within a few cycles following a perturbation. If the frequencies of some modules of the architecture are randomly dispersed by a significant amount, WJ - Wo #- 0, phase-lags appear first, then synchronization is lost in those units. An oscillating module therefore acts as a band pass filter for oscillatory inputs. = ? = Grammatical Inference by Attentional Control of Synchronization When the oscillators are sychronized with the input, OJ - Oli = 0, the phase terms cos(Oj - Oli) cos(O) 1 dissappear. This leaves the amplitude equations rli and rOi with static inputs E j wt;Ij and E j wijlj. Thus we have network modules which emulate static network units in their amplitude activity when fully phaselocked to their input. Amplitude information is transmitted between modules, with an oscillatory carrier. = = For fixed values of the competition, in a completely synchronized system, the internal amplitude dynamics define a gradient dynamical system for a fourth order energy fUllction. External inputs that are phase-locked to the module's intrinsic oscillation simply add a linear tilt to the landscape. For low levels of competition, there is a broad circular valley. When tilted by external input, there is a unique equilibrium that is determined by the bias in tilt along one axis over the other. Thinking of Tli as the "acitivity" of the unit, this acitivity becomes a monotonically increasing function of input. The module behaves as an analog connectionist unit whose transfer function can be approximated by a sigmoid. We refer to this as the "analog" mode of operation of the module. With high levels of competition, the unit will behave as a binary (bistable) digital flip-flop element. There are two deep potential wells, one on each axis. Hence the module performs a winner-take-all choice on the coordinates of its initial state and maintains that choice "clamped" and independent of external input. This is the "digital" or "quantized" mode of operation of a module. We think of one attractor within the unit as representing "1" (the right side in figure two) and the other as representing "0" . 3 Elman Network of Oscillating Associative Memories As a benchmark for the capabilities of the system, and to create a point of contact to standard network architectures, we have constructed a discrete-time recurrent "Elman" network [Elman, 1991] from oscillatory modules defined by ordinary differential equations. Previously we cons structed a system which functions as the six Figure 1. state finite automaton that perfectly recognizes or generates the set of strings defined by the Reber grammar described in Cleeremans et. al. [Cleeremans et al., 1989]. We found the connections for this network by using the backpropagation algorithm in a static network that approximates the behavior of the amplitudes of oscillation in a fully synchronized dynamic network [Baird et al., 1993]. Here we construct a system that emulates the larger 13 state automata similar (less one state) to the one studied by Cleermans, et al in the second part of their paper. The graph of this automaton consists of two subgraph branches each of which has the graph structure of the automaton learned as above, but with different assignments of transition output symbols (see fig. 1). T 71 72 Baird, Troyer, and Beckman We use two types of modules in implementing the Elman network architecture shown in figure two below. The input and output layer each consist of a single associative memory module with six oscillatory attractors (six competing oscillatory modes), one for each of the six symbols in the grammar. The hidden and context layers consist of the binary "units" above composed of a two oscillatory attractors. The architecture consists of 14 binary modules ill the hidden and context layers - three of which are special frequency control modules. The hidden and context layers are divided into four groups: the first three correspond to each of the two subgraphs plus the start state, and the fourth group consists of three special control modules, each of which has only a special control output that perturbs the resonant frequencies of the modules (by changing their values in the program) of a particular state coding group when it is at the zero attractor, as illustrated by the dotted control lines in figure two. This figure shows control unit two is at the one attractor (right side of the square active) and the hidden units coding for states of subgraph two are in synchrony with the input and output modules. Activity levels oscillate up and down through the plane of the paper. Here in midcycle, competition is high in all modules. Figure 2. OSCILLATING ELMAN NETWORK OUTPUT INPUT The discrete machine cycle of the Elman algorithm is implemented by the sinusoidal variation (clocking) of the bifurcation parameter in the normal form equations that determines the level of intramodule competition [Baird et al., 1993]. At the beginning of a machine cycle, when a network is generating strings, the input and context layers are at high competition and their activity is clamped at the bottom of deep basins of attraction. The hidden and output modules are at low competition and therefore behave as a traditional feedforward network free to take on analog values. In this analog mode, a real valued error can be defined for the hidden and output units and standard learning algorithms like backpropagation can be used to train the connections. Then the situation reverses. For a Reber grammar there are always two equally possible next symbols being activated in the output layer, and we let the crosstalk noise Grammatical Inference by Attentional Control of Synchronization break this symmetry so that the winner-take-all dynamics of the output module can chose one. High competition has now also "quantized" and clamped the activity in the hidden layer to a fixed binary vector. Meanwhile, competition is lowered in the input and context layers, freeing these modules from their attractors. An identity mapping from hidden to context loads the binarized activity of the hidden layer into the context layer for the next cycle, and an additional identity mapping from the output to input module places the chosen output symbol into the input layer to begin the next cycle. 4 Attentional control of Synchrony We introduce a model of attention as control of program flow by selective synchronization. The attentional controler itself is modeled in this architecture as a special set of three hidden modules with ouputs that affect the resonant frequencies of the other corresponding three subsets of hidden modules. Varying levels of intramodule competition control the large scale direction of information flow between layers of the architecture. To direct information flow on a finer scale, the attention mechanism selects a subset of modules within each layer whose output is effective in driving the state transition behavior of the system. By controling the patterns of synchronization within the network we are able to generate the grammar obtained from an automaton consisting of two subgraphs connected by a single transition state (figure 1). During training we enforce a segregation of the hidden layer code for the states of the separate subgraph branches of the automaton so that different sets of synchronized modules learn to code for each subgraph of the automaton. Then the entire automaton is hand constructed with an additional hidden module for the start state between the branches. Transitions in the system from states in one subgraph of the automaton to the other are made by "attending" to the corresponding set of nodes in the hidden and context layers. This switching of the focus of attention is accomplished by changing the patterns of synchronization within the network which changes the flow of communication between modules. Each control module modulates the intrinsic frequency of the units coding for the states a single su bgraph or the unit representing the start state. The control modules respond to a particular input symbol and context to set the intrinsic frequency of the proper subset of hidden units to be equal to the input layer frequency. As described earlier, modules can easily be desynchronized by perturbing their resonant frequencies. By perturbing the frequencies of the remaining modules away from the input frequency, these modules are no longer communicating with the rest of the network. Thus coherent information flows from input to output only through one of three channels. Viewing the automata as a behavioral program, the control of synchrony constitutes a control of the program flow into its subprograms (the subgraphs of the automaton). When either exit state of a subgraph is reached, the "B" (begin) symbol is then emitted and fed back to the input where it is connected through the first to second layer weight matrix to the attention control modules. It turns off the synchrony of the hidden states of the subgraph and allows entrainment of the start state to begin a new string of symbols. This state in turn activates both a "T" and a "P' in the output module. The symbol selected by the crosstalk noise and fed back to the input module is now connected to the control modules through the weight matrix. It desynchronizes the start state module, synchronizes in the subset of hidden units 73 74 Baird. Troyer. and Eeckman coding for the states of the appropriate subgraph, and establishes there the start state pattern for that subgraph. Future work will investigate the possibilities for self-organization of the patterns of synchrony and spatially segregated coding in the hidden layer during learning. The weights for entire automata, including the special attention control hidden units, should be learned at once. 4.1 Acknowledgments Supported by AFOSR-91-0325, and a grant from LLNL. It is a pleasure to acknowledge the invaluable assistance of Morris Hirsch, and Walter Freeman. References [Baird, 1990] Baird, B. (1990). Bifurcation and learning in network models of oscillating cortex. In Forest, S., editor, Emergent Computation, pages 365-384. North Holland. also in Physica D, 42. [Baird and Eeckman, 1993] Baird, B. and Eeckman, F. H. (1993). A normal form projection algorithm for associative memory. In Hassoun, M. H., editor, Associative Neural Memories: Theory and Implementation, New York, NY. Oxford University Press. [Baird et al., 1993] Baird, B., Troyer, T., and Eeckman, F. H. (1993). Synchronization and gramatical inference in an oscillating elman network. In Hanson, S., Cowan, J., and Giles, C., editors, Advances in Neural Information Processing Systems S, pages 236-244. Morgan Kaufman. [Bressler and Nakamura, 1993] Bressler, S. and Nakamura. (1993). Interarea synchronization in Macaque neocortex during a visual discrimination task. In Eeckman,F. H., and Bower, J., editors, Computation and Neural Systems, page 515. Kluwer. [Cleeremans et al., 1989] Cleeremans, A., Servan-Schreiber, D., and McClelland, J. (1989). Finite state automata and simple recurrent networks. Neural Computation, 1(3):372-381. [Elman, 1991] Elman, J. (1991). Distributed representations, simple recurrent networks and grammatical structure. Machine Learning, 7(2/3):91. [Freeman and Baird, 1987] Freeman, W. and Baird, B. (1987). Relation of olfactory EEG to behavior: Spatial analysis. Behavioral Neuroscience, 101:393-408. [Gray and Singer, 1987] Gray, C. M. and Singer, W. (1987). Stimulus dependent neuronal oscillations in the cat visual cortex area 17. Neuroscience [Supplj, 22:1301P. [Guckenheimer and Holmes, 1983] Guckenheimer, J. and Holmes, D. (1983). Nonlinear Oscillations, Dynamical Systems, and Bifurcations of Vector Fields. Springer, New York.
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Grammatical Inference by Attentional Control of Synchronization in an Oscillating Elman Network Bill Baird Dept Mathematics, U.C.Berkeley, Berkeley, Ca. 94720, [email protected] Todd Troyer Dept of Phys., U.C.San Francisco, 513 Parnassus Ave. San Francisco, Ca. 94143, [email protected] Frank Eeckman Lawrence Livermore National Laboratory, P.O. Box 808 (L-270), Livermore, Ca. 94550, [email protected] Abstract We show how an "Elman" network architecture, constructed from recurrently connected oscillatory associative memory network modules, can employ selective "attentional" control of synchronization to direct the flow of communication and computation within the architecture to solve a grammatical inference problem. Previously we have shown how the discrete time "Elman" network algorithm can be implemented in a network completely described by continuous ordinary differential equations. The time steps (machine cycles) of the system are implemented by rhythmic variation (clocking) of a bifurcation parameter. In this architecture, oscillation amplitude codes the information content or activity of a module (unit), whereas phase and frequency are used to "softwire" the network. Only synchronized modules communicate by exchanging amplitude information; the activity of non-resonating modules contributes incoherent crosstalk noise. Attentional control is modeled as a special subset of the hidden modules with ouputs which affect the resonant frequencies of other hidden modules. They control synchrony among the other modules and direct the flow of computation (attention) to effect transitions between two subgraphs of a thirteen state automaton which the system emulates to generate a Reber grammar. The internal crosstalk noise is used to drive the required random transitions of the automaton. 67 68 Baird, Troyer, and Eeckman 1 Introduction Recordings of local field potentials have revealed 40 to 80 Hz oscillation in vertebrate cortex [Freeman and Baird, 1987, Gray and Singer, 1987]. The amplitude patterns of such oscillations have been shown to predict the olfactory and visual pattern recognition responses of a trained animal. There is further evidence that although the oscillatory activity appears to be roughly periodic, it is actually chaotic when examined in detail. This preliminary evidence suggests that oscillatory or chaotic network modules may form the cortical substrate for many of the sensory, motor, and cognitive functions now studied in static networks. It remains be shown how networks with more complex dynamics can performs these operations and what possible advantages are to be gained by such complexity. We have therefore constructed a parallel distributed processing architecture that is inspired by the structure and dynamics of cerebral cortex, and applied it to the problem of grammatical inference. The construction views cortex as a set of coupled oscillatory associative memories, and is guided by the principle that attractors must be used by macroscopic systems for reliable computation in the presence of noise. This system must function reliably in the midst of noise generated by crosstalk from it's own activity. Present day digital computers are built of flip-flops which, at the level of their transistors, are continuous dissipative dynamical systems with different attractors underlying the symbols we call "0" and "1". In a similar manner, the network we have constructed is a symbol processing system, but with analog input and oscillatory subsymbolic representations. The architecture operates as a thirteen state finite automaton that generates the symbol strings of a Reber grammar. It is designed to demonstrate and study the following issues and principles of neural computation: (1) Sequential computation with coupled associative memories. (2) Computation with attractors for reliable operation in the presence of noise. (3) Discrete time and state symbol processing arising from continuum dynamics by bifurcations of attractors. (4) Attention as selective synchronization controling communication and temporal program flow. (5) chaotic dynamics in some network modules driving randomn choice of attractors in other network modules. The first three issues have been fully addressed in a previous paper [Baird et. al., 1993], and are only briefly reviewed. ".le focus here on the last two. 1.1 Attentional Processing An important element of intra-cortical communication in the brain, and between modules in this architecture, is the ability of a module to detect and respond to the proper input signal from a particular module, when inputs from other modules irrelevant to the present computation are contributing crosstalk noise. This is smilar to the problem of coding messages in a computer architecture like the Connection Machine so that they can be picked up from the common communication buss line by the proper receiving module. Periodic or nearly periodic (chaotic) variation of a signal introduces additional degrees of freedom that can be exploited in a computational architecture. We investigate the principle that selective control of synchronization, which we hypopthesize to be a model of "attention", can be used to solve this coding problem and control communication and program flow in an architecture with dynamic attractors. The architecture illust.rates the notion that synchronization not only "binds" sen- Grammatical Inference by Attentional Control of Synchronization sory inputs into "objects" [Gray and Singer, 1987], but binds the activity of selected cortical areas into a functional whole that directs behavior. It is a model of "attended activity" as that subset which has been included in the processing of the moment by synchronization. This is both a spatial and temporal binding. Only the inputs which are synchronized to the internal oscillatory activity of a module can effect previously learned transitions of at tractors within it. For example, consider two objects in the visual field separately bound in primary visual cortex by synchronization of their components at different phases or frequencies. One object may be selectively attended to by its entrainment to oscillatory processing at higher levels such as V4 or IT. These in turn are in synchrony with oscillatory activity in motor areas to select the attractors there which are directing motor output. In the architecture presented here, we have constrained the network dynamics so that there exist well defined notions of amplitude, phase, and frequency. The network has been designed so that amplitude codes the information content or activity of a module, whereas phase and frequency are used to "softwire" the network. An oscillatory network module has a passband outside of which it will not synchronize with an oscillatory input. Modules can therefore easily be de synchronized by perturbing their resonant frequencies. Furthermore, only synchronized modules communicate by exchanging amplitude information; the activity of non-resonating modules contributes incoherant crosstalk or noise. The flow of communication between modules can thus be controled by controlling synchrony. By changing the intrinsic frequency of modules in a patterned way, the effective connectivity of the network is changed. The same hardware and connection matrix can thus subserve many different computations and patterns of interaction between modules without crosstalk problems. The crosstalk noise is actually essential to the function of the system. It serves as the noise source for making random choices of output symbols and automaton state transitions in this architecture, as we discuss later. In cortex there is an issue as to what may constitute a source of randomness of sufficient magnitude to perturb the large ensemble behavior of neural activity at the cortical network level. It does not seem likely that the well known molecular fluctuations which are easily averaged within one or a few neurons can do the job. The architecture here models the hypothesis that deterministic chaos in the macroscopic dynamics of a network of neurons, which is the same order of magnitude as the coherant activity, can serve this purpose. In a set of modules which is desynchronized by perturbing the resonant frequencies of the group, coherance is lost and "random" phase relations result. The character of the model time traces is irregular as seen in real neural ensemble activity. The behavior of the time traces in different modules of the architecture is similar to the temporary appearance and switching of synchronization between cortical areas seen in observations of cortical processing during sensory/motor tasks in monkeys and humans [Bressler and Nakamura, 1993]. The structure of this apparently chaotic signal and its use in network learning and operation are currently under investigation. 2 Normal Form Associative Memory Modules The mathematical foundation for the construction of network modules is contained in the normal form projection algorithm [Baird and Eeckman, 1993]. This is a learning algorithm for recurrent analog neural networks which allows associative memory storage of analog patterns, continuous periodic sequences, and chaotic 69 70 Baird, Troyer, and Eeckman attractors in the same network. An N node module can be shown to function as an associative memory for up to N /2 oscillatory, or N /3 chaotic memory attractors [Baird and Eeckman, 1993]. A key feature of a net constructed by this algorithm is that the underlying dynamics is explicitly isomorphic to any of a class of standard, well understood nonlinear dynamical systems - a normal form [Guckenheimer and Holmes, 1983]. The network modules of this architecture were developed previously as models of olfactory cortex with distributed patterns of activity like those observed experimentally [Baird, 1990, Freeman and Baird, 1987]. Such a biological network is dynamically equivalent to a network in normal form and may easily be designed, simulated, and theoretically evaluated in these coordinates. When the intramodule competition is high, they are "memory" or winner-take-all cordinates where attractors have one oscillator at maximum amplitude, with the other amplitudes near zero. In figure two, the input and output modules are demonstrating a distributed amplitude pattern ( the symbol "T"), and the hidden and context modules are two-attractor modules in normal form coordinates showing either a right or left side active. In this paper all networks are discussed in normal form coordinates. By analyzing the network in these coordinates, the amplitude and phase dynamics have a particularly simple interaction. When the input to a module is synchronized with its intrinsic oscillation, the amplitude of the periodic activity may be considered separately from the phase rotation. The module may then be viewed as a static network with these amplitudes as its activity. To illustrate the behavior of individ ualnetwork modules, we examine a binary (twoattractor) module; the behavior of modules with more than two attractors is similar. Such a unit is defined in polar normal form coordinates by the following equations of the Hopf normal form: rli 1l.i r li - Cdi + (d - bsin(wclockt))rli r 5i + L wtlj cos(Oj - Oli) j rOi 1l.j r Oi - crg i + (d - bsin(wclockt))roirii +L wijlj cos(Oj - OOi) j Oli Wi +L wt(Ij /1?li) sin(Oj - Oli) j OOi Wi +L wij(Ij/rOi) sin(Oj - OOi) j The clocked parameter bsin(wclockt) is used to implement the discrete time machine cycle of the Elman architecture as discussed later. It has lower frequency (1/10) than the intrinsic frequency of the unit Wi. Examination of the phase equations shows that a unit has a strong tendency to synchronize with an input of similar frequency. Define the phase difference cp = 00 - OJ = 00 - wJt between a unit 00 and it's input OJ. For either side of a unit driven by an input of the same frequency, WJ = Wo, There is an attractor at zero phase difference cp = 00 - OJ and a repellor at cp 180 degrees. In simulations, the interconnected network of these units described below synchronizes robustly within a few cycles following a perturbation. If the frequencies of some modules of the architecture are randomly dispersed by a significant amount, WJ - Wo #- 0, phase-lags appear first, then synchronization is lost in those units. An oscillating module therefore acts as a band pass filter for oscillatory inputs. = ? = Grammatical Inference by Attentional Control of Synchronization When the oscillators are sychronized with the input, OJ - Oli = 0, the phase terms cos(Oj - Oli) cos(O) 1 dissappear. This leaves the amplitude equations rli and rOi with static inputs E j wt;Ij and E j wijlj. Thus we have network modules which emulate static network units in their amplitude activity when fully phaselocked to their input. Amplitude information is transmitted between modules, with an oscillatory carrier. = = For fixed values of the competition, in a completely synchronized system, the internal amplitude dynamics define a gradient dynamical system for a fourth order energy fUllction. External inputs that are phase-locked to the module's intrinsic oscillation simply add a linear tilt to the landscape. For low levels of competition, there is a broad circular valley. When tilted by external input, there is a unique equilibrium that is determined by the bias in tilt along one axis over the other. Thinking of Tli as the "acitivity" of the unit, this acitivity becomes a monotonically increasing function of input. The module behaves as an analog connectionist unit whose transfer function can be approximated by a sigmoid. We refer to this as the "analog" mode of operation of the module. With high levels of competition, the unit will behave as a binary (bistable) digital flip-flop element. There are two deep potential wells, one on each axis. Hence the module performs a winner-take-all choice on the coordinates of its initial state and maintains that choice "clamped" and independent of external input. This is the "digital" or "quantized" mode of operation of a module. We think of one attractor within the unit as representing "1" (the right side in figure two) and the other as representing "0" . 3 Elman Network of Oscillating Associative Memories As a benchmark for the capabilities of the system, and to create a point of contact to standard network architectures, we have constructed a discrete-time recurrent "Elman" network [Elman, 1991] from oscillatory modules defined by ordinary differential equations. Previously we cons structed a system which functions as the six Figure 1. state finite automaton that perfectly recognizes or generates the set of strings defined by the Reber grammar described in Cleeremans et. al. [Cleeremans et al., 1989]. We found the connections for this network by using the backpropagation algorithm in a static network that approximates the behavior of the amplitudes of oscillation in a fully synchronized dynamic network [Baird et al., 1993]. Here we construct a system that emulates the larger 13 state automata similar (less one state) to the one studied by Cleermans, et al in the second part of their paper. The graph of this automaton consists of two subgraph branches each of which has the graph structure of the automaton learned as above, but with different assignments of transition output symbols (see fig. 1). T 71 72 Baird, Troyer, and Beckman We use two types of modules in implementing the Elman network architecture shown in figure two below. The input and output layer each consist of a single associative memory module with six oscillatory attractors (six competing oscillatory modes), one for each of the six symbols in the grammar. The hidden and context layers consist of the binary "units" above composed of a two oscillatory attractors. The architecture consists of 14 binary modules ill the hidden and context layers - three of which are special frequency control modules. The hidden and context layers are divided into four groups: the first three correspond to each of the two subgraphs plus the start state, and the fourth group consists of three special control modules, each of which has only a special control output that perturbs the resonant frequencies of the modules (by changing their values in the program) of a particular state coding group when it is at the zero attractor, as illustrated by the dotted control lines in figure two. This figure shows control unit two is at the one attractor (right side of the square active) and the hidden units coding for states of subgraph two are in synchrony with the input and output modules. Activity levels oscillate up and down through the plane of the paper. Here in midcycle, competition is high in all modules. Figure 2. OSCILLATING ELMAN NETWORK OUTPUT INPUT The discrete machine cycle of the Elman algorithm is implemented by the sinusoidal variation (clocking) of the bifurcation parameter in the normal form equations that determines the level of intramodule competition [Baird et al., 1993]. At the beginning of a machine cycle, when a network is generating strings, the input and context layers are at high competition and their activity is clamped at the bottom of deep basins of attraction. The hidden and output modules are at low competition and therefore behave as a traditional feedforward network free to take on analog values. In this analog mode, a real valued error can be defined for the hidden and output units and standard learning algorithms like backpropagation can be used to train the connections. Then the situation reverses. For a Reber grammar there are always two equally possible next symbols being activated in the output layer, and we let the crosstalk noise Grammatical Inference by Attentional Control of Synchronization break this symmetry so that the winner-take-all dynamics of the output module can chose one. High competition has now also "quantized" and clamped the activity in the hidden layer to a fixed binary vector. Meanwhile, competition is lowered in the input and context layers, freeing these modules from their attractors. An identity mapping from hidden to context loads the binarized activity of the hidden layer into the context layer for the next cycle, and an additional identity mapping from the output to input module places the chosen output symbol into the input layer to begin the next cycle. 4 Attentional control of Synchrony We introduce a model of attention as control of program flow by selective synchronization. The attentional controler itself is modeled in this architecture as a special set of three hidden modules with ouputs that affect the resonant frequencies of the other corresponding three subsets of hidden modules. Varying levels of intramodule competition control the large scale direction of information flow between layers of the architecture. To direct information flow on a finer scale, the attention mechanism selects a subset of modules within each layer whose output is effective in driving the state transition behavior of the system. By controling the patterns of synchronization within the network we are able to generate the grammar obtained from an automaton consisting of two subgraphs connected by a single transition state (figure 1). During training we enforce a segregation of the hidden layer code for the states of the separate subgraph branches of the automaton so that different sets of synchronized modules learn to code for each subgraph of the automaton. Then the entire automaton is hand constructed with an additional hidden module for the start state between the branches. Transitions in the system from states in one subgraph of the automaton to the other are made by "attending" to the corresponding set of nodes in the hidden and context layers. This switching of the focus of attention is accomplished by changing the patterns of synchronization within the network which changes the flow of communication between modules. Each control module modulates the intrinsic frequency of the units coding for the states a single su bgraph or the unit representing the start state. The control modules respond to a particular input symbol and context to set the intrinsic frequency of the proper subset of hidden units to be equal to the input layer frequency. As described earlier, modules can easily be desynchronized by perturbing their resonant frequencies. By perturbing the frequencies of the remaining modules away from the input frequency, these modules are no longer communicating with the rest of the network. Thus coherent information flows from input to output only through one of three channels. Viewing the automata as a behavioral program, the control of synchrony constitutes a control of the program flow into its subprograms (the subgraphs of the automaton). When either exit state of a subgraph is reached, the "B" (begin) symbol is then emitted and fed back to the input where it is connected through the first to second layer weight matrix to the attention control modules. It turns off the synchrony of the hidden states of the subgraph and allows entrainment of the start state to begin a new string of symbols. This state in turn activates both a "T" and a "P' in the output module. The symbol selected by the crosstalk noise and fed back to the input module is now connected to the control modules through the weight matrix. It desynchronizes the start state module, synchronizes in the subset of hidden units 73 74 Baird. Troyer. and Eeckman coding for the states of the appropriate subgraph, and establishes there the start state pattern for that subgraph. Future work will investigate the possibilities for self-organization of the patterns of synchrony and spatially segregated coding in the hidden layer during learning. The weights for entire automata, including the special attention control hidden units, should be learned at once. 4.1 Acknowledgments Supported by AFOSR-91-0325, and a grant from LLNL. It is a pleasure to acknowledge the invaluable assistance of Morris Hirsch, and Walter Freeman. References [Baird, 1990] Baird, B. (1990). Bifurcation and learning in network models of oscillating cortex. In Forest, S., editor, Emergent Computation, pages 365-384. North Holland. also in Physica D, 42. [Baird and Eeckman, 1993] Baird, B. and Eeckman, F. H. (1993). A normal form projection algorithm for associative memory. In Hassoun, M. H., editor, Associative Neural Memories: Theory and Implementation, New York, NY. Oxford University Press. [Baird et al., 1993] Baird, B., Troyer, T., and Eeckman, F. H. (1993). Synchronization and gramatical inference in an oscillating elman network. In Hanson, S., Cowan, J., and Giles, C., editors, Advances in Neural Information Processing Systems S, pages 236-244. Morgan Kaufman. [Bressler and Nakamura, 1993] Bressler, S. and Nakamura. (1993). Interarea synchronization in Macaque neocortex during a visual discrimination task. In Eeckman,F. H., and Bower, J., editors, Computation and Neural Systems, page 515. Kluwer. [Cleeremans et al., 1989] Cleeremans, A., Servan-Schreiber, D., and McClelland, J. (1989). Finite state automata and simple recurrent networks. Neural Computation, 1(3):372-381. [Elman, 1991] Elman, J. (1991). Distributed representations, simple recurrent networks and grammatical structure. Machine Learning, 7(2/3):91. [Freeman and Baird, 1987] Freeman, W. and Baird, B. (1987). Relation of olfactory EEG to behavior: Spatial analysis. Behavioral Neuroscience, 101:393-408. [Gray and Singer, 1987] Gray, C. M. and Singer, W. (1987). Stimulus dependent neuronal oscillations in the cat visual cortex area 17. Neuroscience [Supplj, 22:1301P. [Guckenheimer and Holmes, 1983] Guckenheimer, J. and Holmes, D. (1983). Nonlinear Oscillations, Dynamical Systems, and Bifurcations of Vector Fields. Springer, New York. ADAPTIVE KNOT PLACEMENT FOR NONPARAMETRIC REGRESSION Hossein L. Najafi* Department of Computer Science University of Wisconsin River Falls, WI 54022 Vladinlil' Cherkas sky Department of Electrical Engineering University of Minnesota Minneapolis, Minnesota 55455 Abstract Performance of many nonparametric methods critically depends on the strategy for positioning knots along the regression surface. Constrained Topological Mapping algorithm is a novel method that achieves adaptive knot placement by using a neural network based on Kohonen's self-organizing maps. We present a modification to the original algorithm that provides knot placement according to the estimated second derivative of the regression surface. 1 INTRODUCTION Here we consider regression problems. Using mathematical notation, we seek to find a function f of N - 1 predictor variables (denoted by vector X) from a given set of n data points, or measurements, Zi (Xi , Yi ) (i 1, ... , n) in N-dimensional sample space: = Y = f(X) = + error (l) where error is unknown (but zero mean) and its distribution may depend on X. The distribution of points in the training set can be arbitrary, but uniform distribution in the domain of X is often used. ? Responsible for correspondence, [email protected]. Telephone (715) 425-3769, e-mail 247 248 Najafi and Cherkassky The goal of this paper is to show how statistical considerations can be used to improve the performance of a novel neural network algorithm for regression [eN91], in order to achieve adaptive positioning of knots along the regression surface. By estimating and employing the second derivative of the underlying function, the modified algorithm is made more flexible around the regions with large second derivative. Through empirical investigation, we show that this modified algorithm allocates more units around the regions where the second derivative is large. This increase in the local knot density introduces more flexibility into the model (around the regions with large second derivative) and makes the model less biased around these regions. However, no over-fitting is observed around these regions. 2 THE PROBLEM OF KNOT LOCATION One of the most challenging problems in practical implementations of adaptive methods for regression is adaptive positioning of knots along the regression surface. Typical1y, knot positions in the domain of X are chosen as a subset of the training data set, or knots are uniformly distributed in X. Once X-locations are fixed, commonly used data-driven methods can be applied to determine the number of knots. However, de Boor [dB78] showed that a polynomial spline with unequally spaced knots can approximate an arbitrary function much better than a spline with equally spaced knots. Unfortunately, the minimization problem involved in determination of the optimal placement of knots is highly nonlinear and the solution space is not convex [FS89). Hence, t.he performance of many recent algorit.hms that include adaptive knot placement (e .g. MARS) is difficult to evaluate analytically. In addition, it is well-known that when data points are uniform, more knots should be located where the second derivative of the function is large. However, it is difficult to extend these results for non-uniform data in conjunction with data-dependent noise. Also, estimating the second derivative of a true function is necessary for optimal knot placement. Yet, the function itself is unknown and its estimation depends on the good placement of knots. This suggests the need for some iterative procedure that alternates between function estimation(smoothing) and knot posit.ioning steps. Many ANN methods effectively try to solve the problem of adaptive knot location using ad hoc strategies that are not statistically optimal. For example, local adaptive methods [Che92) are generalizat.ion of kernel smoothers where the kernel functions and kernel centers are determined from the data by some adaptive algorithm. Examples of local adaptive methods include several recently proposed ANN models known as radial basis function (RBF) networks, regularization networks, networks with locally tuned units etc [BL88, MD89, PG90). When applied to regression problems, all these methods seek to find regression estimate in the (most general) form 2::=1 biHi(X, C i ) where X is the vector of predictor variable, Ci is the coordinates of the i-th 'center' or 'bump', Hi is the response function of the kernel type (the kernel width may be different for each center i), bi are linear coefficients to be determined, and k is the total number of knots or 'centers'. Whereas the general formulat.ion above assumes global opt.imizat.ion of an error measure for the training set with respect. to all parameters, i.e. center locations, kernel width and linear coefficients, this is not practically feasible because the error surface is generally non-convex and may have local minima [PG90, MD89). Hence most Adaptive Knot Placement for Nonparametric Regression practical approaches first solve the problem of center(knot) location and assume identical kernel functions. Then the remaining problem of finding linear coefficients bi is solved by using familiar methods of Linear Algebra [PG90] or gradient-descent techniques [MD89]. It appears that the problem of center locations is the most critical one for the local neural network techniques. Unfortunately, heuristics used for center location are not based on any statistical considerations, and empirical results are too sketchy [PG90, MD89]. In statistical methods knot locations are typically viewed as free parameters of the model, and hence the number of knots directly controls the model complexity. Alternatively, one can impose local regularization constraints on adjacent knot locations, so that neighboring knots cannot move independently. Such an approach is effectively implemented in the model of self-organization known as Kohonen's Self-Organizing Maps (SOM) [Koh84]. This model uses a set of units ("knots") with neighborhood relations between units defined according to a fixed topological structure (typically 1D or 2D grid). During training or self-organization, data points are presented to the map iteratively, one at a time, and the unit closest to the data moves towards it, also pulling along its topological neighbors. 3 MODIFIED CTM ALGORITHM FOR ADAPTIVE KNOT PLACEMENT The SOM model has been applied to nonparametric regression by Cherkassky and Najafi [CN9I] in order to achieve adaptive positioning of knots along the regression surface. Their technique, called Constrained Topological Mapping (CTM), is a modification of Kohonen's self-organization suitable for regression problems. CTM interprets the units of the Kohonen map as movable knots of a regression surface. Correspondingly, the problem of finding regression estimate can be stated as the problem of forming an M - dimensional topological map using a set of samples from N-dimensional sample space (where AI ~ N - 1) . Unfortunately, straightforward application of the Kohonen Algorithm to regression problem does not work well [CN9I]. Because, the presence of noise in the training data can fool the algorithm to produce a map that is a multiple-valued function of independent variables in the regression problem (1). This problem is overcome in the CTM algorithm, where the nearest neighbor is found in the subspace of predictor variables, rather than in the input(sample) space [CN9I]. We present next a concise description of the CTM algorithm. Using standard formulation (1) for regression, the training data are N-dimensional vectors Zi = (Xi , Yi), where Y i is a noisy observation of an unknown function of N - 1 predictor variables given by vector Xi. The CTM algorithm constructs an M - dimensional topological map in N-dimensional sample space (M ~ N - 1) as follows: o. Initialize the M - dimensional t.opological map in N-dimensional sample space. 1. Given an input vector Z in N-dimensional sample space, find the closest (best matching) unit i in the subspace of independent val?iables: II Z*(k) - Wi II = Minj{IIZ* - W; II} Vj E [I, ... ,L] 249 250 Najafi and Cherkassky where Z? is the projection of the input vector onto the subspace of independent variables, is the projection of the weight vector of unit j, and k is the discrete time step. 2. Adjust the units' weights according to the following and return to 1: Wi 'Vi where /3( k) is the learning rate and Cj (k) is the neighborhood for unit iteration k and are given by: /3(k) = /30 x (~~) (k:.. ) (2) i at 1 ,Cj(k) = -----~~ (3) o 5 ( IIi - ill ) exp' /3(k) x So where kmax is the final value of the time step (k max is equal to the product of the training set size by the number of times it was recycled), /30 is the initial 1.0 and /3/ 0.05 were learning rate, and /3/ is the final learning rate (/30 used in all of our experiments), Iii - ill is the topological distance between the unit i and the best matched unit i and So is the initial size of the map (i.e., the number of units per dimension) . = = Note that CTM method achieves placement of units (knots) in X-space according to density of training data. This is due to the fact that X-coordinates of CTM units during training follow the standard Kohonen self-organization algorithm [Koh84], which is known to achieve faithful approximation of an unknown distribution. However, existing CTM method does not place more knots where the underlying function changes rapidly. The improved strategy for CTM knot placement in X-space takes into account estimated second derivative of a function as is described next. The problem with estimating second derivative is that the function itself is unknown. This suggests using an iterative strategy for building a model, i.e., start with a crude model, estimate the second derivative based on this crude model, use the estimated second derivative to refine the model, etc. This strategy can be easily incorporated into the CTM algorithm due to its iterative nature. Specifically, in CTM method the map of knots(i.e., the model) becomes closer and closer to the final regression model as the training proceeds. Therefore, at each iteration, the modified algorithm estimates the second derivative at the best matching unit (closest to the presented data point in X-space), and allows additional movement of knots proportional to this estimate. Estimating the second derivative from the map (instead of using the training data) makes sense due to smoothing properties of CTM. The modified CTM algorithm can be summarized as follows: = 1. Present training sample Zi (Xi, Yi) to the map and find the closest (best matching) unit i in the su bspace of independent variables to this data point. (same as in the original CTM) 2. Move the the map (i.e., the best matching unit and all its neighbors) toward the presented data point (same as in the original CTM) Adaptive Knot Placement for Nonparametric Regression 3. Estimate average second derivative of the function at the best matching unit based on the current positions of the map units. 4. Normalize this average second derivative to an interval of [0,1]. 5. Move the map toward the presented data point at a rate proportional to the estimated normalizes average second derivative and iterate. For multivariate functions only gradients along directions given by the topological structure ofthe map can be estimated in step 4. For example, given a 2-dimensional mesh that approximates function I(XI, X2), every unit of the map (except the border units for which there will be only one neighbor) has two neighboring units along each topological dimension. These neighboring units can be used to approximate the function's gradients along the corresponding topological dimension of the map. These values along each dimension can then be averaged to provide a local gradient estimate at a given knot. In step 5, estimated average second derivative I" is normalized to [0,1] range using 1/Ji 1 - exp(lf"ll tan(T)) This is done because the value of second derivative is used as the learning rate. = In step 6, the map is modified according to the following equation: 'Vj (4) It is this second movement of the map that allows for more flexibility around the region of the map where the second derivative is large. The process described by equation (4) is equivalent to pulling all units towards the data, with the learning rate proportional to estimated second derivative at the best matched unit. Note that the influence of the second derivative is gradually increased during the process of self-organization by the factor (1-,B( k)). This factor account for the fact that the map becomes closer and closer to the underlying function during self-orga.nization; hence, providing a more reliable estimate of second deriva.tive. 4 EMPIRICAL COMPARISON Performance of the two algorithms (original and modified CTM) was compared for several low-dimensional problems. In all experiments the two algorithms used the same training set of 100 data points for the univariate problems and 400 data points for the 2-variable problems. The training samples (Xi, Yi) were generated according to (1), with Xi randomly drawn from a uniform distribution in the closed interval [-1,1]' and the error drawn from the normal distribution N(O, (0.1)2). Regression estimates produced by the self-organized maps were tested on a different set of n = 200 samples (test set) generated in the same manner as the training set. =j We used the Average Residual, AR ~ L~=l [Yi - I(Xd]2, as the performance measure on the test set. Here, I(X) is the piecewise linear estimate of the function with knot locations provided by coordinates of the units of trained CTM. The Aver- 251 252 Najafi and Cherkassky age Residual gives an indication of standard deviation of the overall generalization error. 1.2 1 True function Original CTM ~-. 0.8 Modified CTM -+--. 0.6 >( t::;' 0.4 0.2 0 ~~~~~................:...............~.~~~~~ -0.2 -0.6 -0.8 -0.4 -0.2 o 0.2 0.4 0.6 0.8 x 1 Figure 1: A 50 unit map formed by the original and modified algorithm for the Gaussian function. 1.2 1 True function 0.8 Original CTM Modified CTM ~- . -+-- Q 0.6 t::;' 0.4 0.2 o~~~_00!6I~~~;..J ............................................................ . -0.2 I . . . . - _........_ _........_ _--'-_ _........._ _- ' -_ _..L.-_ _.L..-_........IL.-_---' 0.1 0.2 0.3 0.4 0.5 x 0.6 0.7 0.8 0.9 Figure 2: A 50 unit map formed by the original and modified algorithm for the step function. We used a gaussian function (f(x) = exp-64X 2 ) and a step function for our first set of experiments. Figure 1 and 2 show the actual maps formed by the original and modified algorithm for these functions. It is clear from these figures that the modified algorithm allocates more units around the regions where the second derivative is large. This increase in the local knot density has introduced more flexibility into the model around the regions with large second derivatives. As a result of this the 1 Adaptive Knot Placement for Nonparametric Regression 253 model is less biased around these regions. However, there is no over-fitting in the regions where the second derivative is large. 0.29 r-----:"-___r---..,..---~---~---r__--___r--___, 0.28 Original CTM ~ 0.27 Modified CTM +_. 0.26 0.25 c.::: 0.24 ~ 0.23 0.22 ',~-~ 0.21 ~---- '"'+--__ ..L 0.2 --aoj- __ +-- ---r____ + __ + __ _ - L ...... ... +---+ ---y0.19 0.18 ""'-_ _--L._ _ _.........._ _----L_ _ _.........._ _ _' - - -_ _......L.._ _- - - - ' o 10 20 30 40 50 60 70 # of units per dimension Figure 3: Average Residual error as a function of the size of the map for the 3dimensional Step function 0.55 0.5 Original CTM Modified CTM 0.45 c.::: ~ ~ +_. 0.4 0.35 0.3 ----~---+ --- +- --+--- +- -- +- --+--+--+--+ 0.25 0.2 0 10 20 30 40 50 60 # of units per dimension Figure 4: Average Residual error as a function of the size of the map for the 3dimensional Sine function To compare the behavior of the two algorithms in their predictability of structureless data, we trained them on a constant function I(x) = a with eTT01' = N(O, (0.1)2). This problem is known as smoothing pure noise in regression analysis. It has been shown [CN9l] that the original algorithm handles this problem well and quality of CTM smoothing is independent of the number of units in the map. Our experiments 70 254 Najafi and Cherkas sky show that the modified algorithm performs as good as the original one in this respect. Finally, we used the following two-variable functions (step, and sine) to see how well the modified algorithm performs in higher dimensional settings. Ste : f(x x) = {I for ((x~ < 0.5) 1\ (X2 0 otherwise PI, 2 Sine: f(XI, X2) < 0.5)) V ((Xl ~ 0.5) 1\ (X2 ~ 0.5)) = sin (27rJ(xt)2 + (X2)2) The results of these experiments are summarized in Figure 3 and 4. Again we see that the modified algorithm outperforms the original algorithm. Note that the above example of a two-variable step function can be easily handled by recursive partitioning techniques such as CART [BFOS84]. However, recursive methods are sensitive to coordinate rotation. On the other hand, CTM is a coordinate-independent method, i.e. its performance is independent of any affine transformation in X-space. References [BFOS84] 1. Breiman, J.H. Friedman, R.A. Olshen, and C.J. Stone. Classification and Regression Trees. Wadswordth, Belmont, CA, 1984. [BL88] D.S. Broomhead and D. Lowe. Multivariable functional interpolation and adaptive networks. Complex Systems, 2:321-355, 1988. [Che92] V. Cherkassky. Neural networks and nonparametric regression. In S.Y. Kung, F. Fallside, J .Aa. Sorenson, and C.A. Kamm, editors, Neural Networks for Signal Processing, volume II. IEEEE, Piscataway, NJ, 1992. [CN91] V. Cherkassky and H.L. Najafi. Constrained topological mapping for nonparametric regression analysis. Neural Networks, 4:27-40, 1991. [dB78] C. de Boor. A Practical Guide to Splines. Springer-Verlag, 1978. [FS89] J .H. Friedman and B.W. Silverman. Flexible parsimonious smoothing and additive modeling. Technometrics, 31(1):3-21, 1989. T. Kohonen. Self-Organization and Associative Memory. SpringerVerlag, third edition, 1984. [Koh84] [MD89] J. Moody and C.J. Darken. Fast learning in networks of locally tuned processing units. Neural Computation, 1:281, 1989. [PG90] T. Poggio and F. Girosi. Networks for approximation and learning. Proceedings of the IEEE, 78(9):1481-1497, 1990.
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Globally Trained Handwritten Word Recognizer using Spatial Representation, Convolutional Neural Networks and Hidden Markov Models Yoshua Bengio . . Dept. Informatique et Recherche Operationnelle Universite de Montreal Montreal, Qc H3C-3J7 Yann Le Cun AT&T Bell Labs Holmdel NJ 07733 Donnie Henderson AT&T Bell Labs Holmdel NJ 07733 Abstract We introduce a new approach for on-line recognition of handwritten words written in unconstrained mixed style. The preprocessor performs a word-level normalization by fitting a model of the word structure using the EM algorithm. Words are then coded into low resolution "annotated images" where each pixel contains information about trajectory direction and curvature. The recognizer is a convolution network which can be spatially replicated. From the network output, a hidden Markov model produces word scores. The entire system is globally trained to minimize word-level errors. 1 Introduction Natural handwriting is often a mixture of different "styles", lower case printed, upper case, and cursive. A reliable recognizer for such handwriting would greatly improve interaction with pen-based devices, but its implementation presents new *also, AT&T Bell Labs, Holmdel NJ 07733 937 938 Bengio, Le Cun, and Henderson technical challenges. Characters taken in isolation can be very ambiguous, but considerable information is available from the context of the whole word. We propose a word recognition system for pen-based devices based on four main modules: a preprocessor that normalizes a word, or word group, by fitting a geometrical model to the word structure using the EM algorithm; a module that produces an "annotated image" from the normalized pen trajectory; a replicated convolutional neural network that spots and recognizes characters; and a Hidden Markov Model (HMM) that interprets the networks output by taking word-level constraints into account. The network and the HMM are jointly trained to minimize an error measure defined at the word level. Many on-line handwriting recognizers exploit the sequential nature of pen trajectories by representing the input in the time domain. While these representations are compact and computationally advantageous, they tend to be sensitive to stroke order, writing speed, and other irrelevant parameters. In addition, global geometric features, such as whether a stroke crosses another stroke drawn at a different time, are not readily available in temporal representations. To avoid this problem we designed a representation, called AMAP, that preserves the pictorial nature of the handwriting. In addition to recognizing characters, the system must also correctly segment the characters within the words. One approach, that we call INSEG, is to recognize a large number of heuristically segmented candidate characters and combine them optimally with a postprocessor (Burges et al 92, Schenkel et al 93). Another approach, that we call OUTSEG, is to delay all segmentation decisions until after the recognition, as is often done in speech recognition. An OUTSEG recognizer must accept entire words as input and produce a sequence of scores for each character at each location on the input. Since the word normalization cannot be done perfectly, the recognizer must be robust with respect to relatively large distortions, size variations, and translations. An elastic word model -e.g., an HMM- can extract word candidates from the network output. The HMM models the long-range sequential structure while the neural network spots and classifies characters, using local spatial structure. 2 Word Normalization Input normalization reduces intra-character variability, simplifying character recognition. This is particularly important when recognizing entire words. We propose a new word normalization scheme, based on fitting a geometrical model of the word structure. Our model has four "flexible" lines representing respectively the ascenders line, the core line, the base line and the descenders line (see Figure 1). Points on the lines are parameterized as follows: y = fk(X) = k(x - XO)2 + s(x - xo) + YOk (1) where k controls curvature, s is the skew, and (xo,Yo) is a translation vector. The parameters k, s, and Xo are shared among all four curves, whereas each curve has its own vertical translation parameter YOk. First the set of local maxima U and minima L of the vertical displacement are found. Xo is determined by taking the average abscissa of extrema points. The lines of the model are then fitted to the extrema: the upper two lines to the maxima, and the lower two to the minima. The fit is performed using a probabilistic model for the extrema points given the lines. The idea is to find the line parameters 8* that maximize the probability of Globally Trained Handwritten Word Recognizer ---------' Figure 1: Word Normalization Model: Ascenders and core curves fit y-maxima whereas descenders and baseline curves fit y-minima. There are 6 parameters: a (ascenders curve height relative to baseline), b (baseline absolute vertical position), c (core line position), d (descenders curve position), k (curvature), s (angle). generating the observed points. 0* = argmax log P(X (J I 0) + log P(O) (2) The above conditional distribution is chosen to be a mixture of Gaussians (one per curve) whose means are the y-positions obtained from the actual x-positions through equation 1: 3 P(Xi, Yi 1 0) = log L WkN(Yi; fk(xd, (J'y) (3) k=O where N(x; J1, (J') is a univariate Normal distribution of mean J1 and standard deviation (J'. The Wk are the mixture parameters, some of which are set to 0 in order to constrain the upper (lower) points to be fitted to the upper (lower) curves. They are computed a-priori using measured frequencies of associations of extrema to curves on a large set of words. The priors P(O) on the parameters are required to prevent the collapse of the curves. They can be used to incorporate a-priori information about the word geometry, such as the expected position of the baseline, or the height of the word. These priors for each parameter are chosen to be independent normal distributions whose standard deviations control the strength of the prior. The variables that associate each point with one of the curves are taken as hidden variables of the EM algorithm. One can thus derive an auxiliary function which can be analytically (and cheaply) solved for the 6 free parameters O. Convergence of the EM algorithm was typically obtained within 2 to 4 iterations (of maximization of the auxiliary function). 3 AMAP The recognition of handwritten characters from a pen trajectory on a digitizing surface is often done in the time domain. Trajectories are normalized, and local 939 940 Bengio, Le Cun, and Henderson geometrical or dynamical features are sometimes extracted. The recognition is performed using curve matching (Tappert 90), or other classification techniques such as Neural Networks (Guyon et al 91). While, as stated earlier, these representations have several advantages, their dependence on stroke ordering and individual writing styles makes them difficult to use in high accuracy, writer independent systems that integrate the segmentation with the recognition. Since the intent of the writer is to produce a legible image, it seems natural to preserve as much of the pictorial nature of the signal as possible, while at the same time exploit the sequential information in the trajectory. We propose a representation scheme, called AMAP, where pen trajectories are represented by low-resolution images in which each picture element contains information about the local properties of the trajectory. More generally, an AMAP can be viewed as a function in a multidimensional space where each dimension is associated with a local property of the trajectory, say the direction of motion e, the X position, and the Y position of the pen. The value of the function at a particular location (e, X, Y) in the space represents a smooth version of the "density" of features in the trajectory that have values (e, X, Y) (in the spirit of the generalized Hough transform). An AMAP is a multidimensional array (say 4x10x10) obtained by discretizing the feature density space into "boxes". Each array element is assigned a value equal to the integral of the feature density function over the corresponding box. In practice, an AMAP is computed as follows. At each sample on the trajectory, one computes the position of the pen (X, Y) and orientation of the motion () (and possibly other features, such as the local curvature c). Each element in the AMAP is then incremented by the amount of the integral over the corresponding box of a predetermined point-spread function centered on the coordinates of the feature vector. The use of a smooth point-spread function (say a Gaussian) ensures that smooth deformations of the trajectory will correspond to smooth transformations of the AMAP. An AMAP can be viewed as an "annotated image" in which each pixel is a feature vector. A particularly useful feature of the AMAP representation is that it makes very few assumptions about the nature of the input trajectory. It does not depend on stroke ordering or writing speed, and it can be used with all types of handwriting (capital, lower case, cursive, punctuation, symbols). Unlike many other representations (such as global features), AMAPs can be computed for complete words without requiring segmentation. 4 Convolutional Neural Networks Image-like representations such as AMAPs are particularly well suited for use in combination with Multi-Layer Convolutional Neural Networks (MLCNN) (Le Cun 89, Le Cun et al 90). MLCNNs are feed-forward neural networks whose architectures are tailored for minimizing the sensitivity to translations, rotations, or distortions of the input image. They are trained with a variation of the Back-Propagation algorithm (Rumelhart et al 86, Le Cun 86). The units in MCLNNs are only connected to a local neighborhood in the previous layer. Each unit can be seen as a local feature detector whose function is determined by the learning procedure. Insensitivity to local transformations is built into the network architecture by constraining sets of units located at different places to use identical weight vectors, thereby forcing them to detect the same feature on different parts of the input. The outputs of the units at identical locations in different feature maps can be collectively thought of as a local feature vector. Features of increasing Globally Trained Handwritten Word Recognizer complexity and globality are extracted by the neurons in the successive layers. This weight-sharing technique has two interesting side effects. First, the number of free parameters in the system is greatly reduced since a large number of units share the same weights. Classically, MLCNNs are shown a single character at the input, a.nd have a single set of outputs. However, an essential feature of MLCNNs is that they can be scanned (replicated) over large input fields containing multiple unsegmented characters (whole words) very economically by simply performing the convolutions on larger inputs. Instead of producing a single output vector, SDNNs produce a series of output vectors. The outputs detects and recognize characters at different (and overlapping) locations on the input. These multiple-input, multipleoutput MLCNN are called Space Displacement Neural Networks (SDNN) (Matan et al 92). One of the best networks we found for character recognition has 5 layers arranged as follows: layer 1: convolution with 8 kernels of size 3x3, layer 2: 2x2 subsampling, layer 3: convolution with 25 kernels of size 5x5, layer 4 convolution with 84 kernels of size 4x4, layer 5: 2x2 subsampling. The subsampling layers are essential to the network's robustness to distortions. The output layer is one (single MLCNN) or a series of (SDNN) 84-dimensional vectors. The target output configuration for each character class was chosen to be a bitmap of the corresponding character in a standard 7x12 (=84) pixel font. Such a code facilitates the correction of confusable characters by the postprocessor. 5 Post-Processing The convolutional neural network can be used to give scores associated to characters when the network (or a piece of it corresponding to a single character output) has an input field, called a segment, that covers a connected subset of the whole word input. A segmentation is a sequence of such segments that covers the whole word input. Because there are in general many possible segmentations, sophisticated tools such as hidden Markov models and dynamic programming are used to search for the best segmentation. In this paper, we consider two approaches to the segmentation problem called INSEG (for input segmentation) and OUTSEG (for output segmentation). The postprocessor can be generally decomposed into two levels: 1) character level scores and constraints obtained from the observations, 2) word level constraints (grammar, dictionary). The INSEG and OUTSEG systems share the second level. In an INSEG system, the network is applied to a large number of heuristically segmented candidate characters. A cutter generates candidate cuts, which can potentially represent the boundary between two character segments. It also generates definite cuts, which we assume that no segment can cross. Using these, a number of candidate segments are constructed and the network is applied to each of them separately. Finally, for each high enough character score in each of the segment, a character hypothesis is generated, corresponding to a node in an observation graph . The connectivity and transition probabilities on the arcs of the observation graph represent segmentation and geometrical constraints (e.g., segments must not overlap and must cover the whole word, some transitions between characters are more or less likely given the geometrical relations between their images). In an OUTSEG system, all segmentation decisions are delayed until after the recog- 941 942 Bengio, Le Cun, and Henderson nition, as is often done in speech recognition. The AMAP of the entire word is shown to an SDNN, which produces a sequence of output vectors equivalent to (but obtained much more cheaply than) scanning the single-character network over all possible pixel locations on the input. The Euclidean distances between each output vector and the targets are interpreted as log-likelihoods of the output given a class . To construct an observation graph, we use a set of character models (HMMs) . Each character HMM models the sequence of network outputs observed for that character . We used three-state HMMs for each character, with a left and right state to model transitions and a center state for the character itself. The observation graph is obtained by connecting these character models , allowing any character to follow any character. On top of the constraints given in the observation graph , additional constraints that are independent of the observations are given by what we call a gram mar graph, which can embody lexical constraints. These constraints can be given in the form of a dictionary or of a character-level grammar (with transition probabilities), such as a trigram (in which we use the probability of observing a character in the context of the two previous ones). The recognition finds the best path in the observation graph that is compatible with the grammar graph. The INSEG and OUTSEG architecture are depicted in Figure 2. INSEG ARCHITECTURE FOR WORD RECOGNITION OUTSEG ARCHITECTURE FOR WORD RECOGNITION raw word word normalization normalized word ~--~'''''---"'''''1i AMAP computation s~f raw w0i"'r_d_""",,,_ __ ~ Mi.pf ': ":::",:, . ,. ': : :. : .:. t ~~'::: ~: :~:~: ~~~} AMAP t} SDNN graph ofchar~a~c~e~r--'~----~ candi-'r-_ _f-_ _ """'II dates Character ~~~r~~~ ~,=.. ."""'_-_ <5~t'>r,ff: . Cut hypotheses I generation segme~ n~""""_",,.._ _""""'1 graph \r"!:~'1":"IWPII"""'~W AMAP HMMs graph ~~_",-_ _-d! S....c .....r...... i....p .... t of character s....e.....n.....e.j ... o.T cdaantedsi 5...... a... i ... u...... p.... .f Lexical constraints word Sec; p t "Script" h Convolutional Neural Network ~~~arliooa-cte-r----~ candl dates" " - -+ --"""",!! Lexical constraints d--""""",---J " Script " wo r""' Figure 2: INSEG and OUTSEG architectures for word recognition. A crucial contribution of our system is the joint training of the neural network and the post-processor with respect to a single criterion that approximates word-level errors. We used the following discriminant criterion: minimize the total cost (sum of negative log-likelihoods) along the "correct" paths (the ones that yield the correct interpretations) , while minimizing the costs of all the paths (correct or not). The discriminant nature of this criterion can be shown with the following example. If Globally Trained Handwritten Word Recognizer the cost of a path associated to the correct interpretation is much smaller than all other paths, then the criterion is very close to 0 and no gradient is back-propagated. On the other hand , if the lowest cost path yields an incorrect interpretation but differs from a path of correct interpretation on a sub-path, then very strong gradients will be propagated along that sub-path , whereas the other parts of the sequence will generate almost no gradient. \Vithin a probabilistic framework, this criterion corresponds to the maximizing the mutual information (MMI) between the observations and the correct interpretation. During global training , it is optimized using (enhanced) stochastic gradient descent with respect to all the parameters in the system, most notably the network weights. Experiments described in the next section have shown important reductions in error rates when training with this word-level criterion instead of just training the network separately for each character. Similar combinations of neural networks with HMMs or dynamic programming have been proposed in the past, for speech recognition problems (Bengio et al 92). 6 Experimental Results In a first set of experiments, we evaluated the generalization ability of the neural network classifier coupled with the word normalization preprocessing and AMAP input representation. All results are in writer independent mode (different writers in training and testing). Tests on a da tabase of isolated characters were performed separately on four types of characters: upper case (2.99% error on 9122 patterns), lower case (4.15% error on 8201 patterns), digits (1.4% error on 2938 patterns), and punctuation (4.3% error on 881 patterns). Experiments were performed with the network architecture described above. The second and third set of experiments concerned the recognition of lower case words (writer independent). The tests were performed on a database of 881 words. First we evaluated the improvements brought by the word normalization to the INSEG system. For the OUTSEG system we have to use a word normalization since the network sees a whole word at a time. With the INSEG system, and before doing any word-level training, we obtained without word normalization 7.3% and 3.5% word and character errors (adding insertions, deletions and substitutions) when the search was constrained within a 25461-word dictionary. When using the word normalization preprocessing instead of a character level normalization, error rates dropped to 4.6% and 2.0% for word and character errors respectively, i.e., a relative drop of 37% and 43% in word and character error respectively. In the third set of experiments, we measured the improvements obtained with the joint training of the neural network and the post-processor with the word-level criterion, in comparison to training based only on the errors performed at the character level. Training was performed with a database of 3500 lower case words. For the OUTSEG system, without any dictionary constraints, the error rates dropped from 38% and 12.4% word and character error to 26% and 8.2% respectively after word-level training, i.e., a relative drop of 32% and 34%. For the INSEG system and a slightly improved architecture, without any dictionary constraints, the error rates dropped from 22.5% and 8.5% word and character error to 17% and 6.3% respectively, i.e., a relative drop of 24.4% and 25.6%. With a 25461-word dictionary, errors dropped from 4.6% and 2.0% word and character errors to 3.2% and 1.4% respectively after word-level training, i.e., a relative drop of 30.4% and 30.0%. Finally, some further improvements can be obtained by drastically reducing the size of the dictionary to 350 words, yielding 1.6% and 0.94% word and character errors. 943 944 Bengio, Le Cun, and Henderson 7 Conclusion We have demonstrated a new approach to on-line handwritten word recognition that uses word or sentence-level preprocessing and normalization, image-like representations, Convolutional neural networks, word models, and global training using a highly discriminant word-level criterion. Excellent accuracy on various writer independent tasks were obtained with this combination. References Bengio, Y., R. De Mori and G. Flammia and R. Kompe. 1992. Global Optimization of a Neural Network-Hidden Markov Model Hybrid. IEEE Transactions on Neural Networks v.3, nb.2, pp.252-259. Burges, C., O. Matan, Y. Le Cun, J. Denker, L. Jackel, C. Stenard, C. Nohl and J. Ben. 1992. Shortest Path Segmentation: A Method for Training a Neural Network to Recognize character Strings. Proc. IJCNN'92 (Baltimore), pp. 165-172, v.3. Guyon, 1., Albrecht, P., Le Cun, Y., Denker, J. S., and Weissman, H. 1991 design of a neural network character recognizer for a touch terminal. Pattern Recognition, 24(2):105-119. Le Cun, Y. 1986. Learning Processes in an Asymmetric Threshold Network. In Bienenstock, E., Fogelman-Soulie, F., and Weisbuch, G., editors, Disordered systems and biological organization, pages 233-240, Les Houches, France. Springer-Verlag. Le Cun, Y. 1989. Generalization and Network Design Strategies. In Pfeifer, R., Schreter, Z., Fogelman, F., and Steels, L., editors, Connectionism in Perspective, Zurich, Switzerland. Elsevier. an extended version was published as a technical report of the University of Toronto. Le Cun, Y., Matan, 0., Boser, B., Denker, J. S., Henderson, D., Howard, R. E., Hubbard, W., Jackel, L. D., and Baird, H. S. 1990. Handwritten Zip Code Recognition with Multilayer Networks. In IAPR, editor, Proc. of the International Conference on Pattern Recognition, Atlantic City. IEEE. Matan, 0., Burges, C. J. C., LeCun, Y., and Denker, J. S. 1992. Multi-Digit Recognition Using a Space Displacement Neural Network. In Moody, J. M., Hanson, S. J., and Lippman, R. P., editors, Neural Information Processing Systems, volume 4. Morgan Kaufmann Publishers, San Mateo, CA. Rumelhart, D. E., Hinton, G. E., and Williams, R. J. 1986. Learning internal representations by error propagation. In Parallel distributed processing: Explorations in the microstructure of cognition, volume I, pages 318-362. Bradford Books, Cambridge, MA. Schenkel, M., Guyon, I., Weissman, H., and Nohl, C. 1993. TDNN Solutions for Recognizing On-Line Natural Handwriting. In Advances in Neural Information Processing Systems 5. Morgan Kaufman. Tappert, C., Suen, C., and Wakahara, T. 1990. The state of the art in on-line handwriting recognition. IEEE Trans. PAM!, 12(8).
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82 SIMULATIONS SUGGEST INFORMATION PROCESSING ROLES FOR THE DIVERSE CURRENTS IN HIPPOCAMPAL NEURONS Lyle J. Borg-Graham Harvard-MIT Division of Health Sciences and Technology and Center for Biological Information Processing, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 ABSTRACT A computer model of the hippocampal pyramidal cell (HPC) is described which integrates data from a variety of sources in order to develop a consistent description for this cell type. The model presently includes descriptions of eleven non-linear somatic currents of the HPC, and the electrotonic structure of the neuron is modelled with a soma/short-cable approximation. Model simulations qualitatively or quantitatively reproduce a wide range of somatic electrical behavior i~ HPCs, and demonstrate possible roles for the various currents in information processing. 1 The Computational Properties of Neurons There are several substrates for neuronal computation, including connectivity, synapses, morphometries of dendritic trees, linear parameters of cell membrane, as well as non-linear, time-varying membrane conductances, also referred to as currents or channels. In the classical description of neuronal function, the contribution of membrane channels is constrained to that of generating the action potential, setting firing threshold, and establishing the relationship between (steady-state) stimulus intensity and firing frequency. However, it is becoming clear that the role of these channels may be much more complex, resulting in a variety of novel "computational operators" that reflect the information processing occurring in the biological neural net. ? American Institute of Physics 1988 83 2 Modelling Hippocampal Neurons Over the past decade a wide variety of non-linear ion channels, have been described for many excitable cells, in particular several kinds of neurons. One such neuron is the hippocampal pyramidal cell (HPC). HPC channels are marked by their wide range of temporal, voltage-dependent, and chemical-dependent characteristics, which results in very complex behavior or responses of these stereotypical cortical integrating cells. For example, some HPC channels are activated (opened) transiently and quickly, thus primarily affecting the action potential shape. Other channels have longer kinetics, modulating the response of HPCs over hundreds of milliseconds. The measurement these channels is hampered by various technical constraints, including the small size and extended electrotonic structure of HPCs and the diverse preparations used in experiments. Modelling the electrical behavior of HPCs with computer simulations is one method of integrating data from a variety of sources in order to develop a consistent description for this cell type. In the model referred to here putative mechanisms for voltage-dependent and calcium-dependent channel gating have been used to generate simulations of the somatic electrical behavior of HPCs, and to suggest mechanisms for information processing at the single cell level. The model has also been used to suggest experimental protocols designed to test the validity of simulation results. Model simulations qualitatively or quantitatively reproduce a wide range of somatic electrical behavior in HPCs, and explicitly demonstrate possible functional roles for the various currents [1]. The model presently includes descriptions of eleven non-linear somatic currents, including three putative N a+ currents - INa-trig, INa-rep, and INa-tail; six K+ currents that have been reported in the literature - IDR (Delayed Rectifier), lA, Ie, IAHP (After-hyperpolarization), 1M, and IQ; and two Ca 2+ currents, also reported previously - lea and leas. The electrotonic structure of the HPC is modelled with a soma/shortcable approximation, and the dendrites are assumed to be linear. While the conditions for reducing the dendritic tree to a single cable are not met for HPC (the so-called Rall conditions [3]), the Zin of the cable is close to that of the tree. In addition, although HPC dendrites have non-linear membrane, it assumed that as a first approximation the contribution of currents from this membrane may be ignored in the somatic response to somatic stimulus. Likewise, the model structure assumes that axon-soma current under these conditions can be lumped into the soma circuit. 84 In part this paper will address the following question: if neural nets are realizable using elements that have simple integrative all-or-nothing responses, connected to each other with regenerative conductors, then what is the function for all the channels observed experimentally in real neurons? The results of this HPC model study suggest some purpose for these complexities, and in this paper we shall investigate some of the possible roles of non-linear channels in neuronal information processing. However, given the speculative nature of many of the currents that we have presented in the model, it is important to view results based on the interaction of the many model elements as preliminary. 3 Defining Neural Information Coding is the First Step in Describing Biological Computations Determination of computational properties of neurons requires a priori assumptions as to how information is encoded in neuronal output. The classical description assumes that information is encoded as spike frequency. However, a single output variable, proportional to firing frequency, ignores other potentially information-rich degrees of freedom, including: ? Relative phase of concurrent inputs. ? Frequency modulation during single bursts. ? Cessation of firing due to intrinsic mechanisms. ? Spike shape. Note that these variables apply to patterns of repetitive firingl. The relative phase of different inputs to a single cell is very important at low firing rates, but becomes less so as firing frequency approaches the time constant of the postsynaptic membrane or some other rate-limiting process in the synaptic transduction (e.g. neurotransmitter release or post synaptic channel activation/deactivation kinetics). Frequency modulation during bursts/spike trains may be important in the interaction of a given axon's output with other inputs at the target neuron. Cessation of firing due to mechanisms intrinsic to the cell (as opposed to the end of input) may be lSingle spikes may be considered as degenerate cases of repetitive firing responses. 85 important, for example, in that cell's transmission function. Finally, modulation of spike shape may have several consequences, which will be discussed later. 4 Physiological Modulation of HPC Currents In order for modulation of HPC currents to be considered as potential information processing mechanisms in vivo, it is necessary to identify physiological modulators. For several of the currents described here such factors have been identified. For example, there is evidence that 1M is inhibited by muscarinic (physiologically, cholinergic) agonists [2], that 1A is inhibited by acetylcholine [6], and that 1AHP is inhibited by noradrenaline [5]. In fact, the list of neurotransmitters which are active non-synaptically is growing rapidly. It remains to be seen whether there are as yet undiscovered mechanisms for modulating other HPC currents, for example the three N a+ currents proposed in the present model. Some possible consequences of such mechanisms will be discussed later. 5 HPC Currents and Information Processing The role of a given channel on the HPC electrical response depends on its temporal characteristics as a function of voltage, intracellular messengers, and other variables. This is complicated by the fact that the opening and closing of channels is equivalent to varying conductances, allowing both linear and non-linear operations (e.g. [4] and [7]). In particular, a current which is activated/deactivated over a period of hundreds of milliseconds will, to a first approximation, act by slowly changing the time constant of the membrane. At the other extreme, currents which activate/deactivate with sub-millisecond time constants act by changing the trajectory of the membrane voltage in complicated ways. The classic example of this is the role of N a+ currents underlying the action potential. To investigate how the different HPC currents may contribute to the information processing of this neuron, we have looked at how each current shapes the HPC response to a simple repertoire of inputs. At this stage in our research the inputs have been very basic - short somatic current steps that evoke single spikes, long lasting somatic current steps that evoke spike trains, and current steps at the distal end of the dendritic cable. By examining the response to these inputs the functional roles of the HPC 86 I Current" Spike Shape I Spike Threshold I Tm/Frequency-Intensity I +++ ++ -(+) + ++ Ic + + - (++) ++ + + IAHP - 1M - ++ + INa-trig INa-rep ICa IDR IA - - +++ + (+++) ++ ++ +++ +++ + Table 1: Putative functional roles of HPC somatic currents. Entries in parentheses indicate secondary role, e.g. Ca 2 + activation of J(+ current. currents can be tentatively grouped into three (non-exclusive) categories: ? Modulation of spike shape. ? Modulation of firing threshold, both for single and repetitive spikes. ? Modulation of semi-steady-state membrane time constant. ? Modulation of repetitive firing, specifically the relationship between strength of tonic input and frequency of initial burst and later "steady state" spike train. Table 1 summarizes speculative roles for some of the HPC currents as suggested by the simulations. Note that while all four of the listed characteristics are interrelated, the last two are particularly so and are lumped together in Table 1. 5.1 Possible Roles for Modulation of FI Characteristic Again, it has been traditionally assumed that neural information is encoded by (steady-state) frequency modulation, e.g. the number of spikes per second over some time period encodes the output information of a neuron. For example, muscle fiber contraction is approximately proportional to the spike frequency of its motor neuron 2. If the physiological inhibition of a specific 2In fact, where action potential propagation is a stereotyped phenomena, such as in long axons, then the timing of spikes is the only parameter that may be modulated. 87 . .. -- -~ ......... '--;, \ , , , , , , , , , , \ \ \ \ Stimulus Intensity (Constant Current) Figure 1: Classical relation between total neuronal input (typically tonic current stimulus) and spike firing frequency [solid line] and (qualitative) biological relationships [dashed and dotted lines]. The dotted line applies when INa-rep is blocked. current changes the FI characteristic, this allows one way to modulate that neuron's information processing by various agents. Figure 1 contrasts the classical input-output relation of a neuron and more biological input-output relations. The relationships have several features which can be potentially modulated either physiologically or pathologically, including saturation, threshold, and shape of the curves. Note in particular the cessation of output with increased stimulation, as the depolarizing stimulus prevents the resetting of the transient inward currents. For the HPC, simulations show (Figure 2 and Figure 3) that blocking the putative INa-rep has the effect of causing the cell to "latch-up" in response to tonic stimulus that would otherwise elicit stable spike trains. Both depolarizing currents and repolarizing currents playa role here. First, spike upstroke is mediated by both INa-rep and the lower threshold INa-trig; at high stimuli repolarization between spikes does not get low enough to reset INa-trig' Second, spikes due to only one of these N a+ currents are weaker and as a result do not activate the repolarizing [(+ currents as much as normal because a) reduced time at depolarized levels activates the voltagedependent [(+ currents less and b) less Ca2+ influx with smaller spikes reduces the Ca2+ -dependent activation of some [(+ currents. The net result is that repolarization between spikes is weaker and, again, does not reset INa-trig. Although the current being modulated here (INa-rep) is theoretical, the 88 Voltage (nV) ,~ ;299.9 699.9 499.9 -- ~~VL-,299.9 499.9 ,899.9 2 nA Stinulus, Nornal Vo leage (nV) b~ Tine (sec) (x 1.ge-3) 699.9 '--- Tine (sec) (x 1.ge-3) ,899.9 I!J(~VVVVVVL.--'L.--V--V--~~N~ Voltage (P'lV) h~ ,299.9 499.9 699.9 Tine (se~ (x 1.ge-3) 99.9 I I ~VVl/VvI/\/VV\/\/VVVVV1.,/VVVVV-~~ 6 nA StiP'lulus, Nornal Figure 2: Simulation of repetitive firing in response to constant current injection into the soma. In this series, with the "normal" cell, a stimulus of about 8 nA (not shown) will cause to cell to fire a short burst and then cease firing. possibility of selective blocking of INa-rep allows a mechanism for shifting the saturation of the neuron's response to the left and, as can be seen by comparing Figures 2 and 3, making the FI curve steeper over the response range. 5.2 Possible Roles for Modulation of Spike Threshold The somatic firing threshold determines the minimal input for eliciting a spike, and in effect change the sensitivity of a cell. As a simple example, blocking INa-trig in the HPe model raises threshold by about 10 millivolts. This could cause the cell to ignore input patterns that would otherwise generate action potentials. There are two aspects of the firing "threshold" for a cell - static and dynamic. Thus, the rate at which the soma membrane approaches threshold is important along with the magnitude of that threshold. In general the threshold level rises with a slower depolarization for several reasons, including partial inactivation of inward currents (e.g. INa-trig) and partial activation of outward currents (e.g. IA [8]) at subthreshold levels. 89 Tine (sec) (x 1.ge-3) 499.9 99.9 899.9 2 nA Stinulus, 4 nA Stinulus, u~o I-Na-Rep u~o I-Na-Rep Tine (sec) 499 . 9 99.9 ex 1.ge-3} 899.9 -89.9 6 nA Stinulus, u~o I-Na-Rep Figure 3: Blocking one of the putative N a+ currents (INa-rep) causes the HPC repetitive firing response to fail at lower stimulus than "normal". This corresponds to the leftward shift in the saturation of the response curve shown in Figure 1. Thus it is possible, for example, that IA helps to distinguish tonic dendritic distal synaptic input from proximal input. For input that eventually will supply the same depolarizing current at the soma, dendritic input will have a slower onset due to the cable properties of the dendrites. This slow onset could allow IA to delay the onset of the spike or spikes. A similar depolarizing current applied more proximally would have a faster onset. Sub-threshold activation of IA on the depolarizing phase would then be insufficient to delay the spike. 5.3 Possible Roles for Modulation of Somatic Spike Shape How important is the shape of an individual spike generated at the soma? First, we can assume that spike shape, in particular spike width, is unimportant at the soma spike-generating membrane - once the soma fires, it fires. However, the effect of the spike beyond the soma mayor may not depend on the spike shape, and this is dependent on both the degree which spike propagation is linear and on the properties of the pre-synaptic membrane. Axon transmission is both a linear and non-linear phenomena, and the shorter the axon's electrotonic length, the more the shape of the somatic 90 action potential will be preserved at the distal pre-synaptic terminal. At one extreme, an axon could transmit the spike a purely non-linear fashion - once threshold was reached, the classic "all-or-nothing" response would transmit a stereotyped action potential whose shape would be independent of the post-threshold soma response. At the other extreme, i.e. if the axonal membrane were purely linear, the propagation of the somatic event at any point down the axon would be a linear convolution of the somatic signal and the axon cable properties. It is likely that the situation in the brain lies somewhere between these limits, and will depend on the wavelength of the spike, the axon non-linearities and the axon length. What role could be served by the somatic action potential shape modulating the pre-synaptic terminal signal? There are at least three possibilities. First, it has been demonstrated that the release of transmitter at some presynaptic terminals is not an "all-or-nothing" event, and in fact is a function of the pre-synaptic membrane voltage waveform. Thus, modulation of the somatic spike width may determine how much transmitter is released down the line, providing a mechanism for changing the effective strength of the spike as seen by the target neuron. Modulation of somatic spike width could be equivalent to a modulation ofthe "loudness" of a given neuron's message. Second, pyramidal cell axons often project collateral branches back to the originating soma, forming axo-somatic synapses which result in a feedback loop. In this case, modulation of the somatic spike could affect this feedback in complicated ways, particularly since the collaterals are typically short. Finally, somatic spike shape may also playa role in the transmission of spikes at axonal branch points. For example, consider a axonal branch point with an impedance mismatch and two daughter branches, one thin and one thick. Here a spike that is too narrow may not be able to depolarize the thick branch sufficiently for transmission of the spike down that branch, with the spike propagating only down the thin branch. Conversely, a wider spike may be passed by both branches. Modulation of the somatic spike shape could then be used to direct how a cell's output is broadcast, some times allowing transmission to all the destinations of an HPC , and at other times inhibiting transmission to a limited set of the target neurons. For HPCs much evidence has been obtained which implicate the roles of various HPC currents on modulating somatic spike shape, for example the Ca 2 +-dependent K+ current Ie [9]. Simulations which demonstrate the effect of Ie on the shape of individual action potentials are shown in Figure 4. 91 Volt"9" (!'IV) Tin" (~"c) (x 1.9,,-3) Il 3.1l 4 . 9 S.1l Volts" (nU) Tin" (~"c) (x 1.9,,-3) .9 Il 3.1l 4.1l 5.9 -81l.1l -81l.9 " ,:" 1'\ , : I" \ Curr"nt (nA)" .. 1l.1l .... -11l.1l ?.9 " .. (x.1.1l,,-3) 3.'8- .'\.?.il"_".5.1l Ti~,, : (~ec) .Il " I ... ... I-Na-Tris -_. I-DR " .. " I-C Figure 4: Role of Ie during repolarization of spike. In the simulation on the left, Ie is the largest repolarizing current. In the simulation on the right, blocking Ie results in an wider spike. 6 The Assumption of Somatic Vs. Non-Somatic Currents In this research the somatic response of the HPC has been modelled under the assumption that the data on HPC currents reflect activity of channels localized at the soma. However, it must be considered that all channel proteins, regardless of their final functional destination, are manufactured at the soma. Some of the so-called somatic channels may therefore be vestiges of channels intended for dendritic, axonal, or pre-synaptic membrane. For example, if the spike-shaping channels are intended to be expressed for pre-synaptic membrane, then modulation of these channels by endogenous factors (e.g. ACh) takes place at target neuron. This may seem disadvantageous if a factor is to act selectively on some afferent tract. On the other hand, in the dendritic field of a given neuron it is possible only some afferents have certain channels, thus allowing selective response to modulating agents. These possibilities further expand the potential roles of membrane channels for computation. 92 7 Other Possible Roles of Currents for Modulating HPC Response There are many other potential ways that HPC currents may modulate the HPC response. For example, the relationship between intracellular Ca2+ and the Ca2 +-dependent K+ currents, Ic and IAHP, may indicate possible information processing mechanisms. Intracellular Ca 2+ is an important second messenger for several intracellular processes, for example muscular contraction, but excessive [Ca 2+]in is noxious. There are at least three negative feedback mechanisms for limiting the flow of Ca2+ : voltage-dependent inactivation of Ca2+ currents; reduction of ECa (and thus the Ca2+ driving force) with Ca2+ influx; and the just mentioned Ca2+ -mediation of repolarizing currents. A possible information processing mechanism could be by modulation of IAHP, which plays an important role in limiting repetitive firing;. Simulations suggest that blocking this current causes Ic to step in and eventually limit further repetitive firing, though after many more spikes in a train. Blocking both these currents may allow other mechanisms to control repetitive firing, perhaps ones that operate independently of [Ca 2+]in. Conceivably, this could put the neuron into quite a differen t operating region. 8 Populations of Neurons V s. Single Cells: Implications for Graded Modulation of HPC Currents In this paper we have considered the all-or-nothing contribution of the various channels, Le. the entire population of a given channel type is either activated normally or all the channels are disabled/blocked. This description may be oversimplified in two ways. First, it is possible that a blocking mechanism for a given channel may have a graded effect. For example, it is possible that cholinergic input is not homogeneous over the soma membrane, or that at a given time only a portion of these afferents are activated. In either case it is possible that only a portion of the cholinergic receptors are bound, thus inhibiting a portion of channels. Second, the result of channel inhibition by neuromodulatory projections must consider both single cell 3The slowing down of the spike trains in Figure 2 and Figure 3 is mainly due to the buildup of [Ca 2+];n, which progressively activates more IAHP. 93 response and population response, the size of the population depending on the neuro-architecture of a cortical region and the afferents. For example, activation of a cholinergic tract which terminates in a localized hippocampal region may effect thousands of HPCs. Assuming that the 1M of individual HPCs in the region may be either turned on or off completely with some probability, the behavior of the population will be that of a graded response of 1M inhibition. This graded response will in turn depend on the strength of the cholinergic tract activity. The key point is that the information processing properties of isolated neurons may be reflected in the behavior of a population, and vica-versa. While it is likely that removal of a single pyramidal cell from the hippocampus will have zero functional effect, no neuron is an island. Understanding the central nervous system begins with the spectrum of behavior in its functional units, which may range from single channels, to specific areas of a dendritic tree, to the single cell, to cortical or nuclear subfields, on up through the main subsystems of CNS. References [1] L. Borg-Graham. Modelling the Somatic Electrical Behavior of Hippocampal Pyramidal Neurons. Master's thesis, Massachusetts Institute of Technology, 1987. [2] J. Halliwell and P. Adams. Voltage clamp analysis of muscarinic excitation in hippocampal neurons. Brain Research, 250:71-92, 1982. [3] J. J. B. Jack, D. Noble, and R. W. Tsien. Electric Current Flow In Excitable Cells. Clarendon Press, Oxford, 1983. [4] C. Koch and T. Poggio. Biophysics of computation: neurons, synapses and membranes. G. B.!. P. Paper, (008), 1984. Center for Biological Information Processing, MIT. [5] D. Madison and R. Nicoll. Noradrenaline blocks accommodation ofpyramidal cell discharge in the hippocampus. Nature, 299:, Oct 1982. [6] Y. Nakajuma, S. Nakajima, R. Leonard, and K. Yamaguchi. Actetylcholine inhibits a-current in dissociated cultured hippocampal neurons. Biophysical Journal, 49:575a, 1986. 94 [7] T. Poggio and V. Torre. Theoretical Approaches to Complex Systems, Lecture Notes in Biomathematics, pages 28- 38. Volume 21, Springer Verlag, Berlin, 1978. A New Approach to Synaptic Interaction. [8] J. Storm. A-current and ca-dependent transient outward current control the initial repetitive firing in hippocampal neurons. Biophysical Journal, 49:369a, 1986. [9] J. Storm. Mechanisms of action potential repolarization and a fast afterhyperpolarization in rat hippocampal pyramidal cells. Journal of Physiology, 1986.
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Temporal Difference Learning of Position Evaluation in the Game of Go Nicol N. Schraudolph schraudo~salk.edu Peter Dayan dayan~salk.edu Terrence J. Sejnowski terry~salk.edu Computational Neurobiology Laboratory The Salk Institute for Biological Studies San Diego, CA 92186-5800 Abstract The game of Go has a high branching factor that defeats the tree search approach used in computer chess, and long-range spatiotemporal interactions that make position evaluation extremely difficult. Development of conventional Go programs is hampered by their knowledge-intensive nature. We demonstrate a viable alternative by training networks to evaluate Go positions via temporal difference (TD) learning. Our approach is based on network architectures that reflect the spatial organization of both input and reinforcement signals on the Go board, and training protocols that provide exposure to competent (though unlabelled) play. These techniques yield far better performance than undifferentiated networks trained by selfplay alone. A network with less than 500 weights learned within 3,000 games of 9x9 Go a position evaluation function that enables a primitive one-ply search to defeat a commercial Go program at a low playing level. 1 INTRODUCTION Go was developed three to four millenia ago in China; it is the oldest and one of the most popular board games in the world. Like chess, it is a deterministic, perfect information, zero-sum game of strategy between two players. They alternate in 817 818 Schraudolph, Dayan, and Sejnowski placing black and white stones on the intersections of a 19x19 grid (smaller for beginners) with the objective of surrounding more board area (territory) with their stones than the opponent. Adjacent stones of the same color form groups; an empty intersection adjacent to a group is called a liberty of that group. A group is captured and removed from the board when its last liberty is occupied by the opponent. To prevent loops, it is illegal to make a move which recreates a prior board position. A player may pass at any time; the game ends when both players pass in succession. Unlike most other games of strategy, Go has remained an elusive skill for com puters to acquire - indeed it has been recognized as a grand challenge" of Artificial Intelligence (Rivest, 1993). The game tree search approach used extensively in computer chess is infeasible: the game tree of Go has an average branching factor of around 200, but even beginners may routinely look ahead up to 60 plies in some situations. Humans appear to rely mostly on static evaluation of board positions, aided by highly selective yet deep local lookahead. Conventional Go programs are carefully (and protractedly) tuned expert systems (Fotland, 1993). They are fundamentally limited by their need for human assistance in compiling and integrating domain knowledge, and still play barely above the level of a human beginner - a machine learning approach may thus offer considerable advantages. (Brugmann, 1993) has shown that a knowledge-free optimization approach to Go can work in principle: he obtained respectable (though inefficient) play by selecting moves through simulated annealing (Kirkpatrick et al., 1983) over possible continuations of the game. /I The pattern recognition component inherent in Go is amenable to connectionist methods. Supervised backpropagation networks have been applied to the game (Stoutamire, 1991; Enderton, 1991) but face a bottleneck in the scarcity of handlabelled training data. We propose an alternative approach based on the TD(A) predictive learning algorithm (Sutton, 1984; Sutton, 1988; Barto et al., 1983), which has been successfully applied to the game of backgammon by (Tesauro, 1992). His TD-Gammon program uses a backpropagation network to map preselected features of the board position to an output reflecting the probability that the player to move would win. It was trained by TD(O) while playing only itself, yet learned an evaluation function that - coupled with a full two-ply lookahead to pick the estimated best move - made it competitive with the best human players in the world (Robertie, 1992; Tesauro, 1994). In an early experiment we investigated a straightforward adaptation of Tesauro's approach to the Go domain. We trained a fully connected 82-40-1 backpropagation network by randomized! self-play on a 9x9 Go board (a standard didactic size for humans). The output learned to predict the margin of victory or defeat for black. This undifferentiated network did learn to squeak past Wally, a weak public domain program (Newman, 1988), but it took 659,000 games of training to do so. We have found that the efficiency of learning can be vastly improved through appropriately structured network architectures and training strategies, and these are the focus of the next two sections. 1 Unlike backgammon, Go is a deterministic game, so we had to generate moves stochastically to ensure sufficient exploration of the state space. This was done by Gibbs sampling (Geman and Geman, 1984) over values obtained from single-ply search, annealing the temperature parameter from random towards best-predicted play. Temporal Difference Learning of Position Evaluation in the Game of Go E evaluation :;;;:::-:- :--s;; ~_ _ _~~_ _ _ _-'~ --- ',----:.> t t processed features / C ____c_o_n_s_t_r_a_in_t--::-s_a_t_is_f_a_c_t_io_n____) .. raw feature maps 1 r [::::J [::::) - - r ~ J connectivity map ~~-----------------~ --~ ~/"-... ~~~~:try[::J Go board [::J - - - ii?Q1 ~ Figure 1: A modular network architecture that takes advantage of board symmetries, translation invariance and localized reinforcement to evaluate Go positions. Also shown is the planned connectivity prediction mechanism (see Discussion). 2 NETWORK ARCHITECTURE One of the particular advantages of Go for predictive learning is that there is much richer information available at the end of the game than just who won. Unlike chess, checkers or backgammon, in which pieces are taken away from the board until there are few or none left, Go stones generally remain where they are placed. This makes the final state of the board richly informative with respect to the course of play; indeed the game is scored by summing contributions from each point on the board. We make this spatial credit assignment accessible to the network by having it predict the fate of every point on the board rather than just the overall score, and evaluate whole positions accordingly. This bears some similarity with the Successor Representation (Dayan, 1993) which also integrates over vector rather than scalar destinies. 2 Given the knowledge-based approach of existing Go programs, there is an embarrassment of input features that one might adopt for Go: Wally already uses about 30 of them, stronger programs disproportionately more. In order to demonstrate reinforcement learning as a viable alternative to the conventional approach, however, we require our networks to learn whatever set of features they might need. The complexity of this task can be significantly reduced by exploiting a number 2Sharing information within the network across multiple outputs restricts us to A = 0 for efficient implementation of TD( A). Note that although (Tesauro, 1992) did not have this constraint, he nevertheless found A = 0 to be optimal. 819 820 Schraudolph, Dayan, and Sejnowski of constraints that hold a priori in this domain. Specifically, patterns of Go stones retain their properties under color reversal, reflection and rotation of the board, and - modulo the considerable influence of the board edges - translation. Each of these invariances is reflected in our network architecture: Color reversal invariance implies that changing the color of every stone in a Go position, and the player whose tum it is to move, yields an equivalent position from the other player's perspective. We build this constraint directly into our networks by using antisymmetric input values (+1 for black, -1 for white) and squashing functions throughout, and negating the bias input when it is white's tum to move. Go positions are also invariant with respect to the eightfold (reflection x rotation) symmetry of the square. We provided mechanisms for constraining the network to obey this invariance by appropriate weight sharing and summing of derivatives (Le Cun et al., 1989). Although this is clearly beneficial during the evaluation of the network against its opponents, it appears to impede the course of learning. 3 To account for translation invariance we use convolution with a weight kernel rather than multiplication by a weight matrix as the basic mapping operation in our network, whose layers are thus feature maps produced by scanning a fixed receptive field across the input. One particular advantage of this technique is the easy transfer of learned weight kernels to different Go board sizes. It must be noted, however, that Go is not translation-invariant: the edge of the board not only affects local play but modulates other aspects of the game, and indeed forms the basis of opening strategy. We currently account for this by allowing each node in our network to have its own bias weight, giving it one degree of freedom from its neighbors. This enables the network to encode absolute position at a modest increse in the number of adjustable parameters. Furthermore, we provide additional redundancy around the board edges by selective use of convolution kernels twice as wide as the input. Figure 1 illustrates the modular architecture suggested by these deliberations. In the experiments described below we implement all the features shown except for the connectivity map and lateral constraint satisfaction, which are the subject of future work. 3 TRAINING STRATEGIES Tern poral difference learning teaches the network to predict the consequences of following particular strategies on the basis of the play they produce. The question arises as to which strategies should be used to generate the large number of Go games needed for training. We have identified three criteria by which we compare alternative training strategies: ? the computational efficiency of move generation, ? the quality of generated play, and ? reasonable coverage of plausible Go positions. 3We are investigating possible causes and cures for this phenomenon. Temporal Difference Learning of Position Evaluation in the Game of Go Tesauro trained TD-Gammon by self-play - ie. the network's own position evaluation was used in training to pick both players' moves. This technique does not require any external source of expertise beyond the rules of the game: the network is its own teacher. Since Go is a deterministic game, we cannot always pick the estimated best move when training by self-play without running the risk of trapping the network in some suboptimal fixed state. Theoretically, this should not happen - the network playing white would be able to predict the idiosyncrasies of the network playing black, take advantage of them thus changing the outcome, and forcing black's predictions to change commensurately- but in practice it is a concern. We therefore pick moves stochastically by Gibbs sampling (Geman and Geman, 1984), in which the probability of a given move is exponentially related to the predicted value of the position it leads to through a "temperature" parameter that controls the degree of randomness. We found self-play alone to be rather cumbersome for two reasons: firstly, the single-ply search used to evaluate all legal moves is com putationally intensive and although we are investigating faster ways to accomplish it, we expect move evaluation to remain a computational burden. Secondly, learning from self-play is sluggish as the network must bootstrap itself out of ignorance without the benefit of exposure to skilled opponents. However, there is nothing to keep us from training the network on moves that are not based on its own predictions - for instance, it can learn by playing against a conventional Go program, or even by just observing games between human players. We use three computer opponents to train our networks: a random move generator, the public-domain program Wally (Newman, 1988), and the commercial program The Many Faces of Go (Fotland, 1993). The random move generator naturally doesn't play Go very we1l 4 , but it does have the advantages of high speed and ergodicity - a few thousand games of random Go proved an effective way to prime our networks at the start of training. The two conventional Go programs, by contrast, are rather slow and deterministic, and thus not suitable generators of training data when playing among themselves. However, they do make good opponents for the network, which can provide the required variety of play through its Gibbs sam pIer. When training on games played between such dissimilar players, we must match their strength so as to prevent trivial predictions of the outcome. Against Many Faces we use standard Go handicaps for this purpose; Wally we modified to intersperse its play with random moves. The proportion of random moves is reduced adaptively as the network improves, providing us with an on-line performance measure. Since, in all cases, the strategies of both players are intimately intertwined in the predictions, one would never expect them to be correct overall when the network is playing a real opponent. This is a particular problem when the strategy for choosing moves during learning is different from the policy adopted for 'optimal' network play. (Samuel, 1959) found it inadvisable to let his checker program learn from games which it won against an opponent, since its predictions might otherwise reflect poor as well as good play. This is a particularly pernicious form of over-fitting - the network can learn to predict one strategy in exquisite detail, without being able to play well in general. 4In order to ensure a minimum of stability in the endgame, it does refuse to fill in its own eyes - a particular, locally recognizable type of suicidal move. 821 822 Schraudolph, Dayan, and Sejnowski hl-+reinf hO-+reinf ;0 archi tecture ~...---.-........,~~ I Ir rein; q-q--<t-....... . ff ~~"-'-'I It:><t 4H-H............-+-+-*......+-++-I board-+hO r value I ~~~ I .......~........~ I lr hO "- 11 Hr hl~ 11'" board Iinurn I board -+ reinf turn -+ reinf Figure 2: A small network that learned to play 9x9 Go. Boxes in the architecture panel represent 9x9 layers of units, except for turn which is a single bias unit. Arrows indicate convolutions with the corresponding weight kernels. Black disks represent excitatory, white ones inhibitory weights; within each matrix, disk area is proportional to weight magnitude. 4 RESULTS In exploring this domain, we trained many networks by a variety of methods. A small sample network that learned to beat Many Faces (at low playing level) in 9x9 Go within 3,000 games of training is shown in Figure 2. This network was grown during training by adding hidden layers one at a time; although it was trained without the (reflection x rotation) symmetry constraint, many of the weight kernels learned approximately symmetric features. The direct projection from board to reinforcement layer has an interesting structure: the negative central weight within a positive surround stems from the fact that a placed stone occupies (thus loses) a point of territory even while securing nearby areas. Note that the wide 17x17 projections from the hidden layers have considerable fringes - ostensibly a trick the network uses to incorporate edge effects, which are also prominent in the bias projections from the turn unit. We compared training this architecture by self-play versus play against Wally. The initial rate of learning is similar, but soon the latter starts to outperform the former (measured against both Wally and Many Faces), demonstrating the advantage of having a skilled opponent. After about 2000 games, however, it starts to overfit to Wally and consequently worsens against Many Faces. Switching training partner to Many Faces at this point produced (after a further 1,000 games) a network that could reliably beat this opponent. Although less capable, the self-play network did manage to edge past Wally after 3,000 games; this compares very favorably with Temporal Difference Learning of Position Evaluation in the Game of Go the undifferentiated network described in the Introduction. Furthermore, we have verified that weights learned from 9x9 Go offer a suitable basis for further training on the full-size (19x19) board. 5 DISCUSSION In general our networks appear more competent in the opening than further into the game. This suggests that although reinforcement information is indeed propagating all the way back from the final position, it is hard for the network to capture the multiplicity of mid-game situations and the complex combinatorics characteristic of the endgame. These strengths and weaknesses partially complement those of symbolic systems, suggesting that hybrid approaches might be rewarding. We plan to further improve network performance in a number of ways: It is possible to augment the input representation of the network in such a way that its task becomes fully translation-invariant. We intend to do this by adding an extra input layer whose nodes are active when the corresponding points on the Go board are empty, and inactive when they are occupied (regardless of color). Such an explicit representation of liberties makes the three possible states of a point on the board (black stone, white stone, or empty) linearly separable to the network, and eliminates the need for special treatment of the board edges. The use of limited receptive field sizes raises the problem of how to account for long-ranging spatial interactions on the board. In Go, the distance at which groups of stones interact is a function of their arrangement in context; an important subproblem of position evaluation is therefore to compute the connectivity of groups of stones. We intend to model connectivity explicitly by training the network to predict the correlation pattern of local reinforcement from a given position. This information can then be used to control the lateral propagation of local features in the hidden layer through a constraint satisfaction mechanism. Finally, we can train networks on recorded games between human players, which the Internet Go Server provides in steady quantities and machine-readable format. We are only beginning to explore this promising supply of instantaneous (since prerecorded), high-quality Go play for training. The main obstacle encountered so far has been the human practice of abandoning the game once both players agree on the outcome - typically well before a position that could be scored mechanically is reached. We address this issue by eliminating early resignations from our training set, and using Wally to bring the remaining games to completion. We have shown that with sufficient attention to network architecture and training procedures, a connectionist system trained by temporal difference learning alone can achieve significant levels of performance in this knowledge-intensive domain. Acknowledgements We are grateful to Patrice Simard and Gerry Tesauro for helpful discussions, to Tim Casey for the plethora of game records from the Internet Go Server, and to Geoff Hinton for tniterations. Support was provided by the McDonnell-Pew Center for Cognitive Neuroscience, SERC, NSERC and the Howard Hughes Medical Institute. 823 824 Schraudolph, Dayan, and Sejnowski References Barto, A., Sutton, R, and Anderson, C. (1983). Neuronlike adaptive elements that can solve difficult learning control problems. IEEE Transactions on Systems, Man, and Cybernetics, 13. Brugmann, B. (1993). Monte Carlo Go. Manuscript available by Internet anonymous file transfer from bsdserver.ucsf.edu, file Go/comp/mcgo.tex.Z. Dayan, P. (1993). Improving generalization for temporal difference learning: The successor representation. Neural Computation, 5(4):613-624. Enderton, H. D. (1991). The Golem Go program. Technical Report CMU-CS-92101, Carnegie Mellon University. Report available by Internet anonymous file transfer from bsdserver.ucsf.edu, file Go/comp/golem.sh.Z. Fotland, D. (1993). Knowledge representation in the Many Faces of Go. Manuscript available by Internet anonymous file transfer from bsdserver.ucsf.edu, file Go/comp/mfg.Z. Geman, S. and Geman, D. (1984). Stochastic relaxation, gibbs distributions, and the bayesian restoration of images. IEEE Transactions on Pattern Analysis and Machine Intelligence, 6. Kirkpatrick, S., GelattJr., C. D., and Vecchi, M. P. (1983). Optimization by simulated annealing. Science, 220:671-680. Le Cun, Y., Boser, B., Denker, J., Henderson, D., Howard, R, Hubbard, W., and Jackel, L. (1989). Backpropagation applied to handwritten zip code recognition. Neural Computation, 1:541-55l. Newman, W. H. (1988). Wally, a Go playing program. Shareware C program available by Internet anonymous file transfer from bsdserver.ucsf.edu, file Go/comp/wally.sh.Z. Rivest, R (1993). MIT Press, forthcoming. Invited talk: Computational Learning Theory and Natural Learning Systems, Provincetown, MA. Robertie, B. (1992). Carbon versus silicon: Matching wits with TD-Gammon. Inside Backgammon, 2(2):14-22. Samuel, A. L. (1959). Some studies in machine learning using the game of checkers. IBM Journal of Research and Development,3:211-229. Stoutamire, D. (1991). Machine learning applied to Go. Master's thesis, Case Western Reserve University. Reprint available by Internet anonymous file transfer from bsdserver.ucsf.edu, file Go/comp/report.ps.Z. Sutton, R (1984). Temporal Credit Assignment in Reinforcement Learning. PhD thesis, University of Massachusetts, Amherst. Sutton, R (1988). Learning to predict by the methods of temporal differences. Machine Learning, 3:9-44. Tesauro, G. (1992). Practical issues in temporal difference learning. Machine Learning, 8:257-278. Tesauro, G. (1994). TD-Gammon, a self-teaching backgammon program, achieves master-level play. Neural Computation, 6(2):215-219.
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Backpropagation Convergence Via Deterministic Nonmonotone Perturbed Minimization o. L. Mangasarian & M. v. Solodov Computer Sciences Department University of Wisconsin Madison, WI 53706 Email: [email protected], [email protected] Abstract The fundamental backpropagation (BP) algorithm for training artificial neural networks is cast as a deterministic nonmonotone perturbed gradient method. Under certain natural assumptions, such as the series of learning rates diverging while the series of their squares converging, it is established that every accumulation point of the online BP iterates is a stationary point of the BP error function. The results presented cover serial and parallel online BP, modified BP with a momentum term, and BP with weight decay. 1 INTRODUCTION We regard training artificial neural networks as an unconstrained minimization problem N min f(x) := ~ h(x) xERn ~ (1) j=l where h : ~n --+ ~, j = 1, ... , N are continuously differentiable functions from the n-dimensional real space ~n to the real numbers~. Each function Ii represents the error associated with the j-th training example, and N is the number of examples in the training set. The n-dimensional variable space here is that of the weights associated with the arcs of the neural network and the thresholds of the hidden and 383 384 Mangasarian and Solodov output units. For an explicit description of f(x) see (Mangasarian, 1993). We note that our convergence results are equally applicable to any other form of the error function, provided that it is smooth. BP (Rumelhart,Hinton & Williams, 1986; Khanna, 1989) has long been successfully used by the artificial intelligence community for training artificial neural networks. Curiously, there seems to be no published deterministic convergence results for this method. The primary reason for this is the nonmonotonic nature of the process. Every iteration of online BP is a step in the direction of negative gradient of a partial error function associated with a single training example, e.g. Ii (x) in (1). It is clear that there is no guarantee that such a step will decrease the full objective function f( x), which is the sum of the errors for all the training examples . Therefore a single iteration of BP may, in fact, increase rather than decrease the objective function f( x) we are trying to minimize. This difficulty makes convergence analysis of BP a challenging problem that has currently attracted interest of many researchers (Mangasarian & Solodov, 1994; Gaivoronski, 1994; Grippo, 1994; Luo & Tseng, 1994; White, 1989) . By using stochastic approximation ideas (Kashyap,Blaydon & Fu, 1970; Ermoliev & Wets, 1988), White (White, 1989) has shown that, under certain stochastic assumptions, the sequence of weights generated by BP either diverges or converges almost surely to a point that is a stationary point of the error function. More recently, Gaivoronski obtained stronger stochastic results (Gaivoronski, 1994). It is worth noting that even if the data is assumed to be deterministic, the best that stochastic analysis can do is to establish convergence of certain sequences with probability one. This means that convergence is not guaranteed. Indeed, there may exist some noise patterns for which the algorithm diverges, even though this event is claimed to be unlikely. By contrast, our approach is purely deterministic. In particular, we show that online BP can be viewed as an ordinary perturbed nonmonotone gradient-type algorithm for unconstrained optimization (Section 3) . We note in the passing, that the term gradient descent which is widely used in the backpropagation and neural networks literature is incorrect. From an optimization point of view, online BP is not a descent method, because there is no guaranteed decrease in the objective function at each step. We thus prefer to refer to it as a nonmonotone perturbed gradient algorithm. We give a convergence result for a serial (Algorithm 2.1), a parallel (Algorithm 2.2) BP, a modified BP with a momentum term, and BP with weight decay. To the best of our knowledge, there is no published convergence analysis, either stochastic or deterministic, for the latter three versions of BP. The proposed parallel algorithm is an attempt to accelerate convergence of BP which is generally known to be relatively slow. 2 CONVERGENCE OF THE BACKPROPAGATION ALGORITHM AND ITS MODIFICATIONS We now turn our attention to the classical BP algorithm for training feedforward artificial neural networks with one layer of hidden units (Rumelhart,Hinton & Backpropagation Convergence via Deterministic Nonmonotone Perturbed Minimization Williams, 1986; Khanna, 1989). Throughout our analysis the number of hidden units is assumed to be fixed. The choice of network topology is a separate issue that is not addressed in this work. For some methods for choosing the number of hidden units see (Courrien, 1993; Arai, 1993). We now summarize our notation. N : Nonnegative integer denoting number of examples in the training set. i = 1,2, ... : Index number of major iterations (epochs) of BP. Each major iteration consists of going through the entire set of error functions !1(x), ... , fN(X). = j 1, ... ,N : Index of minor iterations. Each minor iteration j consists of a step in the direction of the negative gradient - \7 fmU)(zi,j) and a momentum step . Here m(j) is an element of the permuted set {I, ... , N}, and zi,j is defined immediately below. Note that if the training set is randomly permuted after every epoch, the map m(?) depends on the index i. For simplicity, we skip this dependence in our notation. xi : Iterate in ~n of major iteration (epoch) i = 1,2, .... zi,; : Iterate in ~n of minor iteration j = 1, ... , N, within major iteration i 1,2, .... Iterates zi,j can be thought of as elements of a matrix with N columns and infinite number of rows, with row i corresponding to the i-th epoch of BP. By 1}i we shall denote the learning rate (the coefficient multiplying the gradient), and by (ki the momentum rate (the coefficient multiplying the momentum term). For simplicity we shall assume that the learning and momentum rates remain fixed within each major iteration. In a manner similar to that of conjugate gradients (Polyak, 1987) we reset the momentum term to zero periodically. Algorithm 2.1. Serial Online BP with a Momentum Term. Start with any xO E ~n. Having xi, stop if \7 f(x i ) 0, else compute xi+l as = follows: (2) zi,j+l = zi,j - TJi \7 fmu)(i,j) xi+l + aif1zi,j, j = 1, ... , N = zi,N+l (3) (4) where if j = 1 otherwise (5) Remark 2.1. Note that the stopping criterion of this algorithm is typically that used in first order optimization methods, and is not explicitly related to the ability of the neural network to generalize. However, since we are concerned with convergence properties of BP as a numerical algorithm, this stopping criterion is 385 386 Mangasarian and Solodov justified. Another point related to the issue of generalization versus convergence is the following. Our analysis allows the use of a weight decay term in the objective function (Hinton, 1986; Weigend,Huberman & Rumelhart, 1990) which often yields a network with better generalization properties. In the latter case the minimization problem becomes N min I(x) := L~ hex) xElRn + All x l1 2 (6) i=l where A is a small positive scaling factor. = 0 reduces Remark 2.2. The choice of C?i without a momentum term. Algorithm 2.1 to the original BP Remark 2.3. We can easily handle the "mini-batch" methods (M!2l11er, 1992) by merely redefining the meaning of the partial error function Ii to represent the error associated with a subset of training examples. Thus "mini-batch" methods also fall within our framework. We next present a parallel modification of BP. Suppose we have k parallel processors, k 2: 1. We consider a partition of the set {l, ... , N} into the subsets J" 1 1, ... ,k, so that each example is assigned to at least one processor. Let N, be the cardinality of the corresponding set J,. In the parallel BP each processor performs one (or more) cycles of serial BP on its set of training examples. Then a synchronization step is performed that consists of averaging the iterates computed by all the k processors. From the mathematical point of view this is equivalent to each processor I E {I, ... , k} handling the partial error function I' (x) associated with the corresponding set of training examples J , . In this setting we have = k J'(x)=~Ii(x), f(x)=~f'(x) iEJ I 1=1 We note that in training a neural network it might be advantageous to assign some training examples to more than one parallel processor. We thus allow for the possibility of overlapping sets J,. The notation for Algorithm 2.2 is similar to that for Algorithm 2.1, except for the index 1 that is used to label the partial error function and minor iterates associated with the l-th parallel processor. We now state the parallel BP with a momentum term. Algorithm 2.2. Parallel Online BP with a Momentum Term. Start with any xO E ~n. Having xi, stop if x i+l = xi, else compute x i +l as follows (i) Parallelization. For each parallel processor I E {I, ... , k} do i,l z, z,i,i+l _- z,i,i where '~f' 7], v m(j) ~zlili = { 0 = xi (iIi) z, (7) + c?,uz" . i,i z;,i - z;,i- A = l J. = 1, ... , N I if j 1 otherwise (8) (9) Backpropagation Convergence via Deterministic Nonmonotone Perturbed Minimization o < TJi < 1, O:s a i < 1 (ii) Synchronization k Xi+l = ~ L z;,Nr+l (10) 1=1 We give below in Table 1 a flowchart of this algorithm. / i 1 Z 1' .. - x'. Major iteration i : ..... ~ xi .~ i1 . z'I '.- x' i1 . z'k .'- x' ~ Serial BP on examples in Jl ~ Serial BP on examples in J, Serial BP on examples in Jk ~ ~ i,Nr+l z, J ? ?IteratIOn . z. + 1 : x ,'+1 M aJor i,N,,+I zk / i Nr+ 1 = k1 "k L.....I=1 z,' Table 1. Flowchart of the Parallel BP Remark 2.4. It is well known that ordinary backpropagation is a relatively slow algorithm. One appealing remedy is parallelization (Zhang,Mckenna,Mesirov & Waltz, 1990). The proposed Algorithm 2.2 is a possible step in that direction. Note that in Algorithm 2.2 all processors typically use the same program for their computations. Thus load balancing is easily achieved. Remark 2.5. We wish to point out that synchronization strategies other than (10) are possible. For example, one may choose among the k sets of weights and thresholds the one that best classifies the training data. To the best of our knowledge there are no published deterministic convergence 387 388 Mangasarian and Solodov proofs for either of Algorithms 2.1,2.2. Using new convergence analysis for a class of nonmonotone optimization methods with perturbations (Mangasarian & Solodov, 1994), we are able to derive deterministic convergence properties for online BP and its modifications. Once again we emphasize the equivalence of either of those methods to a deterministic nonmonotone perturbed gradient-type algorithm. We now state our main convergence theorem. An important result used in the proof is given in the Mathematical Appendix. We refer interested readers to (Mangasarian & Solodov, 1994) for more details. Theorem 2.1. If the learning and momentum rates are chosen such that 00 L = l7i i=O 00 00, L 171 < i=O 00 00, L O:'il7i < 00, (11) i=O then for any sequence {xi} generated by any of the Algorithms 2.1 or 2.2, it follows that {/(xiH converges, {\7 !(xi)} - 0, and for each accumulation point x of the sequence {x'}, \7 I( x) = O. Remark 2.6. We note that conditions (11) imply that both the learning and momentum rates asymptotically tend to zero. These conditions are similar to those used in (White, 1989; Luo & Tseng, 1994) and seem to be the inevitable price paid for rigorous convergence. For practical purposes the learning rate can be fixed or adjusted to some small but finite number to obtain an approximate solution to the minimization problem. For state-of-the-art techniques of computing the learning rate see (Ie Cun, Simard & Pearlmutter, 1993). Remark 2.7. We wish to point out that Theorem 2.1 covers BP with momentum and/or decay terms for which there is no published convergence analysis of any kind. Remark 2.8. We note that the approach of perturbed minimization provides theoretical justification to the well known properties of robustness and recovery from damage for neural networks (Sejnowski & Rosenberg, 1987). In particular, this approach shows that the net should recover from any reasonably small perturbation. Remark 2.9. Establishing convergence to a stationary point seems to be the best one can do for a first-order minimization method without any additional restrictive assumptions on the objective function. There have been some attempts to achieve global descent in training, see for example, (Cetin,Burdick & Barhen, 1993). However, convergence to global minima was not proven rigorously in the multidimensional case. 3 MATHEMATICAL APPENDIX: CONVERGENCE OF ALGORITHMS WITH PERTURBATIONS In this section we state a new result that enables us to establish convergence properties of BP. The full proof is nontrivial and is given in (Mangasarian & Solodov, 1994). Backpropagation Convergence via Deterministic Nonmonotone Perturbed Minimization Theorem 3.1. General Nonmonotonic Perturbed Gradient Convergence (subsumes BP convergence). Suppose that f(x) is bou?,!-ded below and that \1 f(x) is bounded and Lipschitz continuous on the sequence {x'} defined below. Consider the following perturbed gradient algorithm. Start with any x O E ~n. Having xi, stop if \1 f(x i ) 0, else compute = (12) where di = -\1f(x i ) for some ei E ~n, TJi E~, TJi 00 L TJi = ;=0 L TJl < i=O (13) > 0 and such that for some I > 0 00 00, + ei 00 00, L TJdleili < 00, Ileill ~ I Vi (14) i=O It follows that {f(x i)} converges, {\1 f(x i )} -+ 0, and for each accumulation point x of the sequence {x'}, V' f(x) = O. If, in addition, the number of stationary points of f(x) is finite, then the sequence {xi} converges to a stationary point of f(x). Remark 3.1. The error function of BP is nonnegative, and thus the boundedness condition on f(x) is satisfied automatically. There are a number of ways to ensure that f(x) has Lipschitz continuous and bounded gradient on {xi} . In (Luo & Tseng, 1994) a simple projection onto a box is introduced which ensures that the iterates remain in the box. In (Grippo, 1994) a regularization term as in (6) is added to the error function so that the modified objective function has bounded level sets. We note that the latter provides a mathematical justification for weight decay (Hinton, 1986; Weigend,Huberman & Rumelhart, 1990). In either case the iterates remain in some compact set, and since f( x) is an infinitely smooth function, its gradient is bounded and Lipschitz continuous on this set as desired. Acknowledgements This material is based on research supported by Air Force Office of Scientific Research Grant F49620-94-1-0036 and National Science Foundation Grant CCR9101801. References M. Arai. (1993) Bounds on the number of hidden units in binary-valued three-layer neural networks. Neural Networks, 6:855-860. B. C. Cetin, J. W. Burdick, and J. Barhen. (1993) Global descent replaces gradient descent to avoid local minima problem in learning with artificial neural networks. In IEEE International Conference on Neural Networks, (San Francisco), volume 2, 836-842. P. Courrien.(1993) Convergent generator of neural networks. 6:835-844. Neural Networks, Yu. Ermoliev and R.J.-B. Wets (editors). (1988) Numerical Techniques for Stochastic Optimization Problems. Springer-Verlag, Berlin. 389 390 Mangasarian and Solodov A.A. Gaivoronski. (1994) Convergence properties of backpropagation for neural networks via theory of stochastic gradient methods. Part 1. Optimization Methods and Software, 1994, to appear. 1. Grippo. (1994) A class of unconstrained minimization methods for neural network training. Optimization Methods and Software, 1994, to appear. G. E. Hinton. (1986) Learning distributed representations of concepts. In Proceedings of the Eighth Annual Conference of the Cognitive Science Society, 1-12, Hillsdale. Erlbaum. R. 1. Kashyap, C. C. Blaydon and K. S. Fu. (1970) Applications of stochastic approximation methods. In J .M.Mendel and K.S. Fu, editors, Adaptive, Learning, and Pattern Recognition Systems. Academic Press. T. Khanna. (1989) Foundations of neural networks. Addison-Wesley, New Jersey. Y. Ie Cun, P.Y. Simard, and B. Pearlmutter. (1993) Automatic learning rate maximization by on-line estimation of the Hessian's eigenvectors. In C.1.Giles S.J .Hanson, J .D.Cowan, editor, Advances in Neural Information Processing Systems 5, 156-163, San Mateo, California, Morgan Kaufmann. Z.-Q. Luo and P. Tseng. (1994) Analysis of an approximate gradient projection method with applications to the backpropagation algorithm. Optimization Methods and Software, 1994, to appear. 0.1. Mangasarian. (1993) Mathematical programming in neural networks. ORSA Journal on Computing, 5(4), 349-360. 0.1. Mangasarian and M.V. Solodov. (1994) Serial and parallel backpropagation convergence via nonmonotone perturbed minimization. Optimization Methods and Software, 1994, to appear. Proceedings of Symposium on Parallel Optimization 3, Madison July 7-9, 1993. M.F. M!2Sller. (1992) Supervised learning on large redundant training sets. In Neural Networks for Signal Processing 2. IEEE Press. B.T. Polyak. (1987) Introduction to Optimization. Optimization Software, Inc., Publications Division, New York. D.E. Rumelhart, G.E. Hinton, and R.J. Williams. (1986) Learning internal representations by error propagation. In D.E. Rumelhart and J.1. McClelland, editors, Parallel Distributed Processing, 318-362, Cambridge, Massachusetts. MIT Press. T.J. Sejnowski and C.R. Rosenberg. (1987) Parallel networks that learn to pronounce english text. Complex Systems, 1:145-168. A.S. Weigend, B.A. Huberman, and D.E. Rumelhart. (1990) Predicting the future:a connectionist approach. International Journal of Neural Systems, 1 :193-209. H. White. (1989) Some asymptotic results for learning in single hidden-layer feedforward network models. Journal of the American Statistical Association, 84( 408): 1003-1013. X. Zhang, M. Mckenna, J. P. Mesirov, and D. 1. Waltz. (1990) The backpropagation algorithm on grid and hypercube architectures. Parallel Computing, 14:317-327.
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Bounds on the complexity of recurrent neural network implementations of finite state machines Bill G. Horne NEC Research Institute 4 Independence Way Princeton, NJ 08540 Don R. Hush EECE Department University of New Mexico Albuquerque, NM 87131 Abstract In this paper the efficiency of recurrent neural network implementations of m-state finite state machines will be explored. Specifically, it will be shown that the node complexity for the unrestricted case can be bounded above by 0 ( fo) . It will also be shown that the node complexity is 0 (y'm log m) when the weights and thresholds are restricted to the set {-I, I}, and 0 (m) when the fan-in is restricted to two. Matching lower bounds will be provided for each of these upper bounds assuming that the state of the FSM can be encoded in a subset of the nodes of size rlog m1. 1 Introduction The topic of this paper is understanding how efficiently neural networks scale to large problems. Although there are many ways to measure efficiency, we shall be concerned with node complexity, which as its name implies, is a calculation of the required number of nodes. Node complexity is a useful measure of efficiency since the amount of resources required to implement or even simulate a recurrent neural network is typically related to the number of nodes. Node complexity can also be related to the efficiency of learning algorithms for these networks and perhaps to their generalization ability as well. We shall focus on the node complexity of recurrent neural network implementations of finite state machines (FSMs) when the nodes of the network are restricted to threshold logic units. 359 360 Home and Hush In the 1960s it was shown that recurrent neural networks are capable of implementing arbitrary FSMs. The first result in this area was due to Minsky [7], who showed that m-state FSMs can be implemented in a fully connected recurrent neural network. Although circuit complexity was not the focus of his investigation it turns out that his construction, yields 0 (m) nodes. This construction was also guaranteed to use weight values limited to the set {I, 2}. Since a recurrent neural network with k hard-limiting nodes is capable of representing as many as 2k states, one might wonder if an m-state FSM could be implemented by a network with log m nodes. However, it was shown in [1] that the node complexity for a standard ((m fully connected network is n log m)1/3). They were also able to improve upon Minsky's result by providing a construction which is guaranteed to yield no more than 0 (m 3/ 4 ) nodes. In the same paper lower bounds on node complexity were investigated as the network was subject to restrictions on the possible range of weight values and the fan-in and fan-out of the nodes in the network. Their investigation was limited to fully connected recurrent neural networks and they discovered that the node complexity for the case where the weights are restricted to a finite size set is n (y'm log m) . Alternatively, if the nodes in the network were restricted to have a constant fan-in then the node complexity becomes n (m) . However, they left open the question of how tight these bounds are and if they apply to variations on the basic architecture. Other recent work includes investigation of the node complexity for networks with continuous valued nonlinearities [14]. However, it can also be shown that when continuous nonlinearities are used, recurrent neural networks are far more powerful than FSMs; in fact, they are Turing equivalent [13]. In this paper we improve the upper bound on the node complexity for the unrestricted case to 0 (yIm). We also provide upper bounds that match the lower bounds above for various restrictions. Specifically, we show that a node complexity of 0 ( y'm log m) can be achieved if the weights are restricted to the set {-I, I} , and that the node complexity is 0 (m) for the case when the fan-in of each node in the network is restricted to two. Finally, we explore the possibility that implementing finite state machines in more complex models might yield a lower node complexity. Specifically, we explore the node complexity of a general recurrent neural network topology, that is capable of simulating a variety of popular recurrent neural network architectures. Except for the unrestricted case, we will show that the node complexity is no different for this architecture than for the fully connected case if the number of feedback variables is limited to rlog m1, i.e. if the state of the FSM is encoded optimally in a subset of the nodes. We leave it as an open question if a sparser encoding can lead to a more efficient implementation. 2 2.1 Background Finite State Machines FSMs may be defined in several ways. In this paper we shall be concerned with Mealy machines, although our approach can easily be extended to other formulations to yield equivalent results. Bounds on the Complexity of Recurrent Neural Network Implementations Definition 1 A Mealy machine is a quintuple M = (Q, qo, E, d, <1?, where Q is a finite set of states; qo is the initial state ; E is the input alphabet; d is the output alphabet; and <I> : Q x E Q x d is the combined transition and output function. o = Throughout this paper both the input and output alphabets will be binary (i.e. E d {a, I}) . In general, the number of states, m IQI, may be arbitrary. Since any element of Q can be encoded as a binary vector whose minimum length is pog m 1, the function <I> can be implemented as a boolean logic function of the form = = <I> : {a, l} pogm1+l _ {a, l} pogm1+l . (1) The number, N M , of different minimal FSMs with m states will be used to determine lower bounds on the number of gates required to implement an arbitrary FSM in a recurrent neural network. It can easily be shown that (2m)m :S NM [5]. However, it will be convenient to reexpress N M in terms of n = flog m 1+ 1 as follows (2) 2.2 Recurrent Neural Networks The fundamental processing unit in the models we wish to consider is the perceptron, which is a biased, linearly weighted sum of its inputs followed by a hard-limiting nonlinearity whose output is zero if its input is negative and one otherwise. The fan-in of the perceptron is defined to be the number of non-zero weights. When the values of Xi are binary (as they are in this paper) , the perceptron is often referred to as a threshold logic unit (TL U). A count of the number of different partially specified threshold logic functions, which are threshold logic functions whose values are only defined over v vertices of the unit hypercube, will be needed to develop lower bounds on the node complexity required to implement an arbitrary logic function . It has been shown that this number, denoted L~, is [15] L~:S 2v n -,-. n. (3) As pointed out in [10], many of the most popular discrete-time recurrent neural network models can be implemented as a feedforward network whose outputs are fed back recurrently through a set of unit time delays. In the most generic version of this architecture, the feed forward section is lower triangular, meaning the [th node is the only node in layer I and receives input from all nodes in previous layers (including the input layer). A lower triangular network of k threshold logic elements is the most general topology possible for a feedforward network since all other feedforward networks can be viewed as a special case of this network with the appropriate weights set equal to zero. The most direct implementation of this model is the architecture proposed in [11] . However, many recurrent neural network architectures can be cast into this framework. For example, fully connected networks [3] fit this model when the the feedforward network is simply a single layer of nodes. Even models which appear very different [2, 9] can be cast into this framework. 361 362 Home and Hush 3 The unrestricted case The unrestricted case is the most general, and thus explores the inherent power of recurrent neural networks. The unrestricted case is also important because it serves as a baseline from which one can evaluate the effect of various restrictions on the node complexity. In order to derive an upper bound on the node complexity of recurrent neural network implementations of FSMs we shall utilize the following lemma, due to Lupanov [6]. The proof of this lemma involves a construction that is extremely complex and beyond the scope of this paper. Lemma 1 (Lupanov, 1973) Arbitrary boolean logic functions with x inputs and y outputs can be implemented in a network of perceptrons with a node complexity of o( J ~~:g y) . x o Theorem 1 Multilayer recurrent neural networks can implement FSMs having m states with a node complexity of 0 (.Jffi) . 0 Proof: Since an m-state FSM can be implemented in a recurrent neural network in which the multilayer network performs a mapping of the form in equation (1), then using n = m = flog m1+ 1, and applying Lemma 1 gives an upper bound of O(.Jffi). Q.E.D. Theorem 2 Multilayer recurrent neural networks can implement FSMs having m states with a node complexity of n (fo) if the number of unit time delays is flog m1. o Proof: In order to prove the theorem we derive an expression for the maximum number of functions that a k-node recurrent neural network can compute and compare that against the minimum number of finite state machines. Then we solve for k in terms of the number of states of the FSM. Specifically, we wish to manipulate the inequality 2(n-l)2 n - 2 < n! - ( k- 1 ) n- 1 (a) krr-l 2n(n+i~+1 . (n + z)! ,=0 (b) where the left hand side is given in equation (2), (a) represents the total number of ways to choose the outputs and feedback variables of the network, and (b) represents the total number of logic functions computable by the feed forward section of the network, which is lower triangular. Part (a) is found by simple combinatorial arguments and noting that the last node in the network must be used as either an output or feedback node. Part (b) is obtained by the following argument: If the state is optimally encoded in flog m1 nodes, then only flog m1 variables need Bounds on the Complexity of Recurrent Neural Network Implementations to be fed back. Together with the external input this gives n = rlog m1 + 1 local inputs to the feedforward network. Repeated application of (3) with v 2n yields expression (b). = Following a series of algebraic manipulations it can easily be shown that there exists a constant c such that n2n < ck 2n. Since n = flog ml 4 + 1 it follows that k = f2 (fo). Q.E.D. Restriction on weights and thresholds All threshold logic functions can be implemented with perceptrons whose weight and threshold values are integers. It is well known that there are threshold logic functions of n variables that require a perceptron with weights whose maximum magnitude is f2(2n) and O( nn/2) [8]. This implies that if a perceptron is to be implemented digitally, the number of bits required to represent each weight and threshold in the worst case will be a super linear function of the fan-in. This is generally undesirable ; it would be far better to require only a logarithmic number of bits per weight, or even better, a constant number of bits per weight. We will be primarily be interested in the most extreme case where the weights are limited to values from the set {-I , I}. In order to derive the node complexity for networks with weight restrictions, we shall utilize the following lemma, proved in [4]. Lemma 2 Arbitrary boolean logic functions with x inputs and y outputs can be implemented in a network ofperceptrons whose weights and thresholds are restricted to the set {-I, I} with a node complexity of e (Jy2 x ) . 0 This lemma is not difficult to prove , however it is beyond the scope of this paper. The basic idea involves using a decomposition of logic functions proposed in [12]. Specifically, a boolean function f may always be decomposed into a disjunction of 2 r terms of the form XIX2. ' . Xr fi(X r +1 , .. . , x n ) , one for each conjunction of the first r variables, where Xj represents either a complemented or uncomplemented version of the input variable Xj and each Ii is a logic function of the last n - r variables. This expression can be implemented directly in a neural network. With negligible number of additional nodes, the construction can be implemented in such a way that all weights are either -lor 1. Finally, the variable r is optimized to yield the minimum number of nodes in the network. Theorem 3 Multilayer recurrent neural networks that have nodes whose weights and thresholds are restricted to the set {-I , I} can implement FSMs having m states with a node complexity of 0 (Jm log m) . 0 Proof: Since an m-state FSM can be implemented in a recurrent neural network in which the multilayer network performs a mapping of the form in equation (1), then using n = m = flog m1+ 1, and applying Lemma 2 gives an upper bound of o (Jmlogm) . Q.E.D. 363 364 Home and Hush Theorem 4 Multilayer recurrent neural networks that have nodes whose weights and thresholds are restricted to a set of size IWI can implement FSMs having m states with a node complexity of n ( if the number of unit time delays is flogml. 0 Proof: The proof is similar to the proof of Theorem 2 which gave a lower bound for the node complexity required in an arbitrary network of threshold logic units. Here, the inequality we wish to manipulate is given by k-l k- 1 n-I ) II IWln+i+ 1. i=O (b) (a) where the left hand side and (a) are computed as before and (b) represents the maximum number of ways to configure the nodes in the network when there are only IWI choices for each weight and threshold. Following a series of algebraic manipulations it can be shown that there exists a constant c such that n2n ::; ck 2 log IWI. Since n = pog m1+ 1 it follows that k = n ( Clearly, for W 5 mlogm) loglWI . Q.E.D. = {-I, I} this lower bound matches the upper bound in Theorem 3. Restriction on fan-in A limit on the fan-in of a perceptron is another important practical restriction. In the networks discussed so far each node has an unlimited fan-in. In fact, in the constructions described above, many nodes receive inputs from a polynomial number of nodes (in terms of m) in a previous layer. In practice it is not possible to build devices that have such a large connectivity. Restricting the fan-in to 2, is the most severe restriction, and will be of primary interest in this paper. Once again, in order to derive the node complexity for restricted fan-in, we shall utilize the following lemma, proved in [4]. Lemma 3 Arbitrary boolean logic functions with x inputs and y outputs can be implemented in a network of perceptrons restricted to fan-in 2 with a node complexityof y2X ) e ( x + logy . o This proof of this lemma is very similar to the proof of Lemma 2. Here Shannon's decomposition is used with r = 2 to recursively decompose the logic function into a set of trees, until each tree has depth d. Then, all possible functions of the last n - d variables are implemented in an inverted tree-like structure, which feeds into the bottom of the trees. Finally, d is optimized to yield the minimum number of nodes. Bounds on the Complexity of Recurrent Neural Network Implementations Theorem 5 Multilayer recurrent neural networks that have nodes whose fan-in is restricted to two can implement FSMs having m states with a node complexity of Oem) 0 Proof: Since an m-state FSM can be implemented in a recurrent neural network in which the multilayer network performs a mapping of the form in equation (1), then using n = m = rlog m1+ 1, and applying Lemma 3 gives an upper bound of o (m). Q.E.D. Theorem 6 Multilayer recurrent neural networks that have nodes whose fan-in is restricted to two can implement FSMs having m states with a node complexity of n (m) if the number of unit time delays is rlog m1. 0 Proof: Once again the proof is similar to Theorem 2, which gave a lower bound for the node complexity required in an arbitrary network of threshold logic units. Here, the inequality we need to solve for is given by 2(n-1)2'-' :s n! ( ~:= ~ ) D. 14 ( n t i ) ,----_V~----A~----_V~----~ (a) (b) where the left hand side and (a) are computed as before and (b) represents the maximum number of ways to configure the nodes in the network. The term ( n t i ) is used since a node in the ith layer has n + i possible inputs from which two are chosen. The constant 14 represents the fourteen possible threshold logic functions of two variables. Following a series of algebraic manipulations it can be shown that there exists a constant c such that ~ ck logk Since n = rlog m1 + 1 it follows that k = n (m) . n2n 6 Q.E.D. Summary In summary, we provide new bounds on the node complexity of implementing FSMs with recurrent neural networks. These upper bounds match lower bounds developed in [1] for fully connected recurrent networks when the size of the weight set or the fan-in of each node is finite. Although one might speculate that more complex networks might yield more efficient constructions, we showed that these lower bounds do not change for restrictions on weights or fan-in, at least when the state of the FSM is encoded optimally in a subset of flog m1 nodes. When the network is unrestricted, this lower bound matches our upper bound. We leave it as an open question if a sparser encoding of the state variables can lead to a more efficient implementation. One interesting aspect of this study is that there is really not much difference in efficiency when the network is totally unrestricted and when there are severe restrictions placed on the weights. Assuming that our bounds are tight, then there 365 366 Home and Hush is only a y'log m penalty for restricting the weights to either -1 or 1. To get some idea for how marginal this difference is consider that for a finite state machine with 18 x 10 18 states, y'log m is only eight! m = A more detailed version of this paper can be found in [5]. References [1] N. Alon, A.K. Dewdney, and T.J. Ott . Efficient simulation of finite automata by neural nets. JACM, 38(2):495-514, 1991. [2] A.D. Back and A.C. Tsoi. FIR and I1R synapses, a new neural network architecture for time series modeling. Neural Computation, 3(3):375-385, 1991. [3] J.J. Hopfield. Neural networks and physical systems with emergent collective computational abilities. Proc. Nat. Acad. Sci., 79:2554-2558, 1982. [4] B.G. Horne and D.R. Hush. On the node complexity of neural networks. Technical Report EECE 93-003, Dept. EECE, U. New Mexico, 1993. [5] B.G. Horne and D.R. Hush. Bounds on the complexity of recurrent neural network implementations of finite state machines. Technical Report EECE 94-001, Dept. EECE, U. New Mexico, 1994. [6] O.B. Lupanov . The synthesis of circuits from threshold elements. Problemy Kibernetiki, 26:109-140, 1973. [7] M. Minsky. Computation: Finite and infinite machines. Prentice-Hall, 1967. [8] S. Muroga. Threshold Logic and Its Applications. Wiley, 1971. [9] K.S. Narendra and K. Parthasarathy. Identification and control of dynamical systems using neural networks. IEEE Trans. on Neural Networks, 1:4-27, 1990. [10] O. Nerrand et al. Neural networks and nonlinear adaptive filtering: Unifying concepts and new algorithms. Neural Computation, 5(2):165-199, 1993. [11] A.J. Robinson and F. Fallside. Static and dynamic error propagation networks with application to speech coding. In D.Z. Anderson, editor, Neural Information Processing Systems, pages 632-641, 1988. [12] C. Shannon. The synthesis of two-terminal switching circuits. Bell Sys. Tech. 1., 28:59-98, 1949. [13] H. Siegelmann and E.D. Sontag. Neural networks are universal computing devices. Technical Report SYCON-91-08, Rutgers Ctr. for Sys. and Cont., 1991. [14] H.T. Siegelmann, E.D. Sontag, and C.L. Giles. The complexity of language recognition by neural networks. In Proc. IFIP 12th World Compo Cong., pages 329-335, 1992. [15] R.O. Winder. Bounds on threshold gate realizability. IEEE Trans. on Elect. Comp., EC-12:561-564, 1963.
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A Comparative Study Of A Modified Bumptree Neural Network With Radial Basis Function Networks and the Standard MultiLayer Perceptron. Richard T .J. Bostock and Alan J. Harget Department of Computer Science & Applied Mathematics Aston University Binningham England Abstract Bumptrees are geometric data structures introduced by Omohundro (1991) to provide efficient access to a collection of functions on a Euclidean space of interest. We describe a modified bumptree structure that has been employed as a neural network classifier, and compare its performance on several classification tasks against that of radial basis function networks and the standard mutIi-Iayer perceptron. 1 INTRODUCTION A number of neural network studies have demonstrated the utility of the multi-layer perceptron (MLP) and shown it to be a highly effective paradigm. Studies have also shown, however, that the MLP is not without its problems, in particular it requires an extensive training time, is susceptible to local minima problems and its perfonnance is dependent upon its internal network architecture. In an attempt to improve upon the generalisation performance and computational efficiency a number of studies have been undertaken principally concerned with investigating the parametrisation of the MLP. It is well known, for example, that the generalisation performance of the MLP is affected by the number of hidden units in the network, which have to be determined empirically since theory provides no guidance. A number of investigations have been conducted into the possibility of automatically determining the number of hidden units during the training phase (BostOCk, 1992). The results show that architectures can be attained which give satisfactory, although generally sub-optimal, perfonnance. Alternative network architectures such as the Radial Basis Function (RBF) network have also been studied in an attempt to improve upon the performance of the MLP network. The RBF network uses basis functions in which the weights are effective over only a small portion of the input space. This is in contrast to the MLP network where the weights are used in a more global fashion, thereby encoding the characteristics of the training set in a more compact form. RBF networks can be rapidly trained thus making 240 Modified Bumptree Neural Network and Standard Multi-Layer Perceptron them particularly suitable for situations where on-line incremental learning is required. The RBF network has been successfully applied in a number of areas such as speech recognition (Renals, 1992) and financial forecasting (Lowe, 1991). Studies indicate that the RBF network provides a viable alternative to the MLP approach and thus offers encouragement that networks employing local solutions are worthy of further investigation. In the past few years there has been an increasing interest in neural network architectures based on tree structures. Important work in this area has been carried out by Omohundro (1991) and Gentric and Withagen (1993). These studies seem to suggest that neural networks employing a tree based structure should offer the same benefits of reduced training time as that offered by the RBF network. The particular tree based architecture examined in this study is the bumptree which provides efficient access to collections of functions on a Euclidean space of interest. A bumptree can be viewed as a natural generalisation of several other geometric data structures including oct-trees, k-d trees, balltrees (Omohundro, 1987) and boxtrees (Omohundro, 1989). In this paper we present the results of a comparative study of the performance of the three types of neural networks described above over a wide range of classification problems. The performance of the networks was assessed in terms of the percentage of correct classifications on a test, or generalisation data set, and the time taken to train the network. Before discussing the results obtained we shall give an outline of the implementation of our bumptree neural network since this is more novel than the other two networks. 2 THE BUMPTREE NEURAL NETWORK Bumptree neural networks share many of the underlying principles of decision trees but differ from them in the manner in which patterns are classified. Decision trees partition the problem space into increasingly small areas. Classification is then achieved by determining the lowest branch of the tree which contains a reference to the specified point. The bumptree neural network described in this paper also employs a tree based structure to partition the problem space, with each branch of the tree being based on multiple dimensions. Once the problem space has been partitioned then each branch can be viewed as an individual neural network modelling its own local area of the problem space, and being able to deal with patterns from multiple output classes. Bumptrees model the problem space by subdividing the space allowing each division to be described by a separate function. Initial partitioning of the problem space is achieved by randomly assigning values to the root level functions. A learning algorithm is applied to determine the area of influence of each function and an associated error calculated. If the error exceeds some threshold of acceptability then the area in question is further subdivided by the addition of two functions; this process continues until satisfactory performance is achieved. The bumptree employed in this study is essentially a binary tree in which each leaf of the tree corresponds to a function of interest although the possibility exists that one of the functions could effectively be redundant if it fails to attract any of the patterns from its parent function. A number of problems had to be resolved in the design and implementation of the bumptree. Firstly, an appropriate procedure had to be adopted for partitioning the 241 242 Bostock and Harget problem space. Secondly, consideration had to be given to the type of learning algorithm to be employed. And finally, the mechanism for calculating the output of the network had to be determined. A detailed discussion of these issues and the solutions adopted now follows. 2.1 PARTITIONING THE PROBLEM SPACE The bumptree used in this study employed gaussian functions to partition the problem space, with two functions being added each time the space was partitioned. Patterns were assigned to whichever of the functions had the higher activation level with the restriction that the functions below the root level could only be active on patterns that activated their parents. To calculate the activation of the gaussian function the following expression was used: (1) where Afp is the activation of function f on pattern p over all the input dimensions, afi is the radius of function f in input dimension i, Cfi is the centre of function f in input dimension i, and Inpi is the ith dimension of the pth input vector. It was found that the locations and radii of the functions had an important impact on the performance of the network. In the original bumptree introduced by Omohundro every function below the root level was required to be wholly enclosed by its parent function. This restriction was found to degrade the performance of the bumptree particularly if a function had a very small radius since this would produce very low levels of acti vation for most patterns. In our studies we relaxed this constraint by assigning the radius of each function to one, since the data presented to the bumptree was always normalised between zero and one. This modification led to an improved performance. A number of different techniques were examined in order to effectively position the functions in the problem space. The first approach considered, and the simplest, involved selecting two initial sets of centres for the root function with the centre in each dimension being allocated a value between zero and one. The functions at the lower levels of the tree were assigned in a similar manner with the requirement that their centres fell within the area of the problem space for which their parent function was active. The use of nonhierarchical clustering techniques such as the Forgy method or the K-means clustering technique developed by MacQueen provided other alternatives for positioning the functions. The approach finally adopted for this study was the multiple-initial function (MIF) technique. In the MIF procedure ten sets of functions centres were initially defined by random assignment and each pattern in the training set assigned to the function with the highest activation level. A "goodness" measure was then determined for each function over all patterns for which the function was active. The goodness measure was defined as the square of the error between the calculated and observed values divided by the number of active patterns. The function with the best value was retained and the remaining functions that were active on one or more patterns had their centres averaged in each dimension to provide a second function. The functions were then added to the network structure and the patterns assigned to the function which gave the greater activation. Modified Bumptree Neural Network and Standard Multi-Layer Perceptron 2.2 THE LEARNING ALGORITHM A bumptree neural network comprises a number of functions each function having its own individual weight and bias parameters and each function being responsive to different characteristics in the training set. The bumptree employed a weighted value for every input to output connection and a single bias value for each output unit. Several different learning algorithms for determining the weight and bias values were considered together with a genetic algorithm approach (Williams, 1993). A one-shot learning algorithm was finally adopted since this gave good results and was computationally efficient. The algorithm used a pseudo-matrix inversion technique to determine the weight and bias parameters of each function after a single presentation of the relevant patterns in the training set had been made. The output of any function for a given pattern p was determined from jmax + Piz f.l. j GO ipz = "" ?..J a ijz * X (p) (2) j=l where aoipz is the output of the zth output unit of the ith function on the pth pattern, j is the input unit, jmax is the total number of input units, aijz is the weight that connects the jth input unit to the zth output unit for the ith function, Xj(p) is the element of the pth pattern concerned with the jth input dimension, and ~iz is the bias value for the zth output unit. The weight and bias parameters were determined by minimising the squared error given in (3), where Ei is the error of the ith function across all output dimensions (zmax), for all patterns upon which the function is active (pmax). The desired output for the zth output dimension is tv pz " and aoipz is the actual output of the ith function on the zth dimension of the pth pattern. The weight values are again represented by Ooijz and the bias by ~iz' (3) After the derivatives of aijz and ~iz were determined it was a simple task to arrive at the three matrices used to calculate the weight and bias values for the individual functions. Problems were encountered in the matrix inversion when dealing with functions which were only active on a few patterns and which were far removed from the root level of the tree; this led to difficulties with singular matrices. It was found that the problem could be overcome by using the Gauss-Jordan singular decomposition technique for the pseudoinversion of the matrices. 2.3 CALCULATION OF THE NETWORK OUTPUT The difficulty in determining the output of the bumptree was that there were usually functions at different levels of the tree that gave slightly different outputs for each active pattern. Several different approaches were studied in order to resolve the difficulty including using the normalised output of all the active functions in the tree irrespective of their level in the structure. A technique which gave good results and was used in this 243 244 Bostock and Harget study calculated the output for a pattern solely on the output of the lowest level active function in the tree. The final output class of a pattern being given by the output unit with the highest level of activation. 3 NETWORK PERFORMANCES The perfonnance of the bumptree neural network was compared against that of the standard MLP and RBF networks on a number of different problems. The bumptree used the MIF placing technique in which the radius of each function was set to one. This particular implementation of the bumptree will now be referred to as the MIF bumptree. The MLP used the standard backpropagation algorithm (Rumelhart, 1986) with a learning rate of 0.25 and a momentum value of 0.9. The initial weights and bias values of the network were set to random values between -2 and +2. The number of hidden units assigned to the network was determined empirically over several runs by varying the number of hidden units until the best generalisation perfonnance was attained. The RBF network used four different types of function, they were gaussian, multi-quadratic, inverse multi-quadratic and thin plate splines. The RBF network placed the functions using sample points within the problem space covered by the training set 3.1 INITIAL STUDIES In the initial studies. a set of classical non-linear problems was used to compare the perfonnance of the three types of networks. The set consisted of the XOR, Parity(6) and Encoder(8) problems. The average results obtained over 10 runs for each of the data sets are shown in Table 1 - the figures presented are the percentage of patterns correctly classified in the training set together with the standard deviation. Table 1. Percentage of Patterns Correctly Classified for the three Data Sets for each Network type. DATA SET MLP XOR Parity(6) Encoder(8) 100 100 100 RBF 100 92.1 ? 4.7 82.5 ? 16.8 MIF 100 98.3 ? 4.2 100 For the XOR problem the MLP network required an average of 222 iterations with an architecture of 4 hidden units, for the parity problem an architecture of 10 hidden units and an average of 1133 iterations. and finally for the encoder problem the network required an average of 1900 iterations for an architecture consisting of three hidden units. The RBF network correctly classified all the patterns of the XOR data set when four multi-quadratic. inverse multi-quadratic or gaussian functions were used. For the parity(6) problem the best result was achieved with a network employing between 60 and 64 inverse multi-quadratic functions. In the case of the encoder problem the best performance was obtained using a network of 8 multi-quadratic functions. The MIF bumptree required two functions to achieve perfect classification for the XOR and encoder problems and an average of 40 functions in order to achieve the best perfonnance on the parity problem. Thus in the case of the XOR and encoder problems no further functions were required additional to the root functions. Modif1ed Bumptree Neural Network and Standard Multi-Layer Perceptron A comparison of the training times taken by each of the networks revealed considerable differences. The MLP required the most extensive training time since it used the backpropagation training algorithm which is an iterative procedure. The RBF network required less training time than the MLP, but suffered from the fact that for all the patterns in the training set the activity of all the functions had to be calculated in order to arrive at the optimal weights. The bumptree proved to have the quickest training time for the parity and encoder problems and a training time comparable to that taken by the RBF network for the XOR problem. This superiority arose because the bumptree used a noniterative training procedure, and a function was only trained on those members of the training set for which the function was active. In considering the sensitivity of the different networks to the parameters chosen some interesting results emerge. The performance of the MLP was found to be dependent on the number of hidden units assigned to the network. When insufficient hidden units were allocated the performance of the MLP degraded. The performance of the RBF network was also found to be highly influenced by the values taken for various parameters, in particular the number and type of functions employed by the network. The bumptree on the other hand was assigned the same set of parameters for all the problems studied and was found to be less sensitive than the other two networks to the parameter settings. 3.2 COMPARISON OF GENERALISATION PERFORMANCE The performance of the three different networks was also measured for a set of four 'realworld' problems which allowed the generalisation performance of each network to be determined. A summary of the results taken over 10 runs is given in Table 2. Table 2 Performance of the Networks on the Training and Generalisation Data Sets of the Test Problems. DATA NETWORK FUNCTIONS HIDDEN UNITS TRAINING TEST Iris ? 0.6 ? 0.0 ? 0.4 MLP RBF MIF 4 75 gaussians 8 100 100 100 MLP RBF MIF 6 10 multi-quad 4 88.7 84.4 79.8 ? 4.3 ? 3.2 ? 5.2 79.2 ? 1.7 80.3 ? 4.4 80.8 ? 1.9 MLP RBF MIF 20 50 Thin plate spl. 104 82.4 82.1 86.5 ? 5.3 ? 1.5 ? 5.6 77.1 ? 6.6 77.8 ? 1.4 73.6 ? 4.6 MLP RBF MIF 16 25 Thin plate spl. 3 82.5 ? 2.7 76.0 ? 0.8 76.5 ? 1.2 95.7 96.0 97.5 Skin Cancer Vowel Data Diabetes 78.9 78.9 80.0 ? 1.2 ? 0.9 ? 1.1 All three networks produce a comparable performance on the test problems, but in the case of the bumptree this was achieved with a training time substantially less than that required by the other networks. Inspection of the results also shows that the bumptree required fewer functions in general than the RBF network. 245 246 Bostock and Harget The results shown above for the bumptree were obtained with the same set of parameters used in the initial study which further confirms its lack of sensitivity to parameter settings. 4. CONCLUSION A comparative study of the performance of three different types of networks, one of which is novel, has been conducted on a wide range of problems. The results show that the performance of the bumptree compared very favourably, both in terms of generalisation and training times, with the more traditional MLP and RBF networks. In addition, the performance of the bumptree proved to be less sensitive to the parameters settings than the other networks. These results encourage us to continue further investigation of the bumptree neural network and lead us to conclude that it has a valid place in the list of current neural networks. Acknowledgement We gratefully acknowledge the assistance given by Richard Rohwer. References Bostock R.T 1. & Harget Al. (1992) Towards a Neural Network Based System for Skin Cancer Diagnosis: lEE Third International Conference on Artificial Neural Networks: P21S-220. Broomhead D.S. & Lowe D. (1988) Radial Basis Functions, Multi-Variable Functional Interpolation and Adaptive Networks: RSRE Memorandum No. 4148, Royal Signals and Radar Establishment, Malvern, England. Gentric P. & Withagen H.C.A.M. (1993) Constructive Methods for a New Classifier Based on a Radial Basis Function Network Accelerated by a Tree: Report, Eindhoven Technical University, Eindhoven, Holland. Lowe D. & Webb A.R. (1991) Time Series Prediction by Adaptive Networks: A Dynamical Systems Perspective: lEE Proceedings-F, vol. 128(1), Feb." P17-24. Moody J. & Darken C. (1988) Learning With Localized Receptive Fields: Research Report YALE UID CSIRR-649. Omohundro S.M. (1987) Efficient Algorithms With Neural Network Behaviour; in Complex Systems 1 (1987): P273-347. Omohundro S.M. (1989) Five Balltree Construction Algorithms: International Computer Science Institute Technical Report TR-89-063. Omohundro S.M. (1991) Bumptrees for Efficient Function, Constraint, and Classification Learning: Advances in Neural Information Processing Systems 3, P693699. Renals S. & Rohwer R.J. (1989) Phoneme Classification Experiments Using Radial Basis Functions: Proceedings of the IJCNN, P461-467. Rumelhart D.E., Hinton G.E. & Williams Rl. (1986) Learning Internal Representations by Error Propagation: in Parallel Distributed Processing, vol. 1 P318-362. Cambridge, MA : MIT Press. Williams B.V., Bostock R.TJ., Bounds D.G. & Harget A.J. (1993) The Genetic Bumptree Classifier: Proceedings of the BNSS Symposium on Artificial Neural Networks: to be published.
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COMBINED NEURAL NETWORKS FOR TIME SERIES ANALYSIS Iris Ginzburg and David Horn School of Physics and Astronomy Raymond and Beverly Sackler Faculty of Exact Science Tel-Aviv University Tel-A viv 96678, Israel Abstract We propose a method for improving the performance of any network designed to predict the next value of a time series. Vve advocate analyzing the deviations of the network's predictions from the data in the training set . This can be carried out by a secondary network trained on the time series of these residuals. The combined system of the two networks is viewed as the new predictor. We demonstrate the simplicity and success of this method, by applying it to the sunspots data. The small corrections of the secondary network can be regarded as resulting from a Taylor expansion of a complex network which includes the combined system. \\Te find that the complex network is more difficult to train and performs worse than the two-step procedure of the combined system. 1 INTRODUCTION The use of neural networks for computational tasks is based on the idea that the efficient way in which the nervous system handles memory and cognition is worth immitating. Artificial implementations are often based on a single network of mathematical neurons. We note, however, that in biological systems one can find collections of consecutive networks, performing a complicated task in several stages, with later stages refining the performance of earlier ones. Here we propose to follow this strategy in artificial applications. 224 Combined Neural Networks for Time Series Analysis We study the analysis of time series, where the problem is to predict the next element on the basis of previous elements of the series. One looks then for a functional relation Yn = f (Yn -1 , Yn - 2, ... , Yn - m) . (1 ) This type of representation is particularly useful for the study of dynamical systems. These are characterized by a common continuous variable, time, and many correlated degrees of freedom which combine into a set of differential equations. Nonetheless, each variable can in principle be described by a lag-space representation of the type 1 . This is valid even if the Y = y(t) solution is unpredictable as in chaotic phenomena. Weigend Huberman and Rumelhart (1990) have studied the experimental series of yearly averages of sunspots activity using this approach. They have realized the lag-space representation on an (m, d, 1) network, where the notation implies a hidden layer of d sigmoidal neurons and one linear output. Using m 12 and a weight-elimination method which led to d = 3, they obtained results which compare favorably with the leading statistical model (Tong and Lim, 1980). Both models do well in predicting the next element of the sunspots series. Recently, Nowlan and Hinton (1992) have shown that a significantly better network can be obtained if the training procedure includes a complexity penalty term in which the distribution of weights is modelled as a mixture of multiple gaussians whose parameters vary in an adaptive manner as the system is being trained. = We propose an alternative method which is capable of improving the performance of neural networks: train another network to predict the errors of the first one, to uncover and remove systematic correlations that may be found in the solution given by the trained network, thus correcting the original predictions. This is in agreement with the general philosophy mentioned at the beginning, where we take from Nature the idea that the task does not have to be performed by one complicated network; it is advantageous to break it into stages of consecutive analysis steps. Starting with a network which is trained on the sunspots data with back-propagation, we show that the processed results improve considerably and we find solutions which match the performance of Weigend et. al. 2 CONSTRUCTION OF THE PRIMARY NETWORK Let us start with a simple application of back-propagation to the construction of a neural network describing the sunspots data which are normalized to lie between o and 1. The network is assumed to have one hidden layer of sigmoidal neurons, hi i 1" . " d, which receives the input of the nth vector: = m hi = 0'(2: WijYn-j - Oi) (2) j=l The output of the network, Pn, is constructed linearly, d Pn = 2: Wi hi i=l O. (3) 225 226 Ginzburg and Hom The error-function which we minimize is defined by 1 E N =2 L (4) (Pn - Yn)2 n=m+l where we try to equate Pn, the prediction or output of the network, with Yn, the nth value of the series. This is the appropriate formulation for a training set of N data points which are viewed as N - m strings of length m used to predict the point following each string. We will work with two sets of data points. One will be labelled T and be used for training the network, and the other P will be used for testing its predictive power. Let us define the average error by 1 {s = jjSfj 2:(Pn - (5) Yn)2 nES where the set S is either Tor P. An alternative parameter was used by Weigend et. al. ,in which the error is normalized by the standard deviation of the data. This leads to an average relative variance (arv) which is related to the average error through (6) = Following Weigend et. al. we choose m 12 neurons in the first layer and IITII 220 data points for the training set. The following IIPII 35 years are used for testing the predictions of our network. We use three sigmoidal units in the hidden layer and run with a slow convergence rate for 7000 periods. This is roughly where cross-validation would indicate that a minimum is reached. The starting parameters of our networks are chosen randomly. Five examples of such networks are presented in Table 1. = 3 = THE SECONDARY NETWORK Given the networks constructed above, we investigate their deviations from the desired values qn = Yn - Pn? (7) A standard statistical test for the quality of any predictor is the analysis of the correlations between consecutive errors. If such correlations are found, the predictor must be improved. The correlations reflect a systematic deviation of the primary network from the true solution. We propose not to improve the primary network by modifying its architecture but to add to it a secondary network which uses the residuals qn as its new data. The latter is being trained only after the training session of the primary network has been completed. Clearly one may expect some general relation of the type (8) to exist. Looking for a structure of this kind enlarges considerably the original space in which we searched for a solution to 1 . We wish the secondary network Combined Neural Networks for Time Series Analysis to do a modest task, therefore we assume that much can be gained by looking at the interdependence of the residuals qn on themselves. This reduces the problem to finding the best values of Tn = b(qn-l, qn-2,"', qn-I) (9) which would minimize the new error function 1 E2='2 N L (Tn-qn)2. (10) n=I+1 Alternatively, one may try to express the residual in terms of the functional values Tn =!2(Yn-1, Yn-2,"', Yn-I) (11) minimizing again the expression 10 . When the secondary network completes its training, we propose to view tn = Pn + Tn (12) as the new prediction of the combined system. We will demonstrate that a major improvement can be obtained already with a linear perceptron. This means that the linear regression 1 Tn = L aIqn-i + /3 1 (13) 2 (14) i=l or 1 Tn = L a;Yn-i + /3 i=l is sufficient to account for a large fraction of the systematic deviations of the primary networks from the true function that they were trained to represent. 4 NUMERICAL RESULTS We present in Table 1 five examples of results of (12,5,1) networks, i.e. m = 12 inputs, a hidden layer of three sigmoidal neurons and a linear output neuron. These five examples were chosen from 100 runs of simple back-propagation networks with random initial conditions by selecting the networks with the smallest R values (Ginzburg and Horn, 1992). This is a weak constraint which is based on letting the network generate a large sequence of data by iterating its own predictions, and selecting the networks whose distribution of function values is the closest to the corresponding distribution of the training set. The errors of the primary networks, in particular those of the prediction set ?p, are quite higher than those quoted by Weigend et. al. who started out from a (12,8,1) network and brought it down through a weight elimination technique to a (12,5,1) structure. They have obtained the values ?T = 0.059 ?p = 0.06. We can reduce our errors and reach the same range by activating a secondary network with I = 11 to perform the linear regression (3.6) on the residuals of the predictions of the primary network. The results are the primed errors quoted in the table. Characteristically we observe a reduction of ?T by 3 - 4% and a reduction of ?p by more than 10%. 227 228 Ginzburg and Hom # fT 1 2 3 4 5 0.0614 0.0600 0.0611 0.0621 0.0616 {p f' T 0.0587 0.0585 0.0580 0.0594 0.0589 0.0716 0.0721 0.0715 0.0698 0.0681 {' P 0.0620 0.0663 0.0621 0.0614 0.0604 Table 1 Error parameters of five networks. The unprimed errors are those of the primary networks. The primed errors correspond to the combined system which includes correction of the residuals by a linear perceptron with I 11 , which is an autoregressions of the residuals. Slightly better results for the short term predictions are achieved by corrections based on regression of the residuals on the original input vectors, when the regression length is 13 (Table 2). = # {T fT fp f'p 1 2 3 4 5 0.061 0.060 0.061 0.062 0.062 0.059 0.059 0.058 0.060 0.059 0.072 0.072 0.072 0.070 0.068 0.062 0.065 0.062 0.061 0.059 Table 2 Error parameters for the same five networks. The primed errors correspond to the combined system which includes correction of the residuals by a linear perceptron based on original input vectors with I 13. = 5 LONG TERM PREDICTIONS When short term prediction is performed, the output of the original network is corrected by the error predicted by the secondary network. This can be easily generalized to perform long term predictions by feeding the corrected output produced by the combined system of both networks back as input to the primary network. The corrected residuals predicted by the secondary network are viewed as the residuals needed as further inputs if the secondary network is the one performing autoregression of residuals. We run both systems based on regression on residuals and regression on functional values to produce long term predictions. In table 3 we present the results of this procedure for the case of a secondary network performing regression on residuals. The errors of the long term predictions are averaged over the test set P of the next 35 years. We see that the errors of the primary networks are reduced by about 20%. The quality of these long term predictions is within the range of results presented by Weigend et. al. Using the regression on (predicted) functional values, as in Eq. 14 , the results are improved by up to 15% as shown in Table 4. Combined Neural Networks for Time Series Analysis , # f2 fj f5 f~ fll f11 1 2 3 4 5 0.118 0.118 0.117 0.116 0.113 0.098 0.106 0.099 0.099 0.097 0.162 0.164 0.164 0.152 0.159 0.109 0.125 0.112 0.107 0.112 0.150 0.131 0.136 0.146 0.147 0.116 0.101 0.099 0.120 0.123 Table 3 Long term predictions into the future. fn denotes the average error of n time steps predictions over the P set. The unprimed errors are those of the primary networks. The primed errors correspond to the combined system which includes correction of the residuals by a linear perceptron. , # f2 f'2 f5 f'5 f11 f11 1 2 3 4 5 0.118 0.118 0.117 0.117 0.113 0.098 0.104 0.098 0.098 0.096 0.162 0.164 0.164 0.152 0.159 0.107 0.117 0.108 0.105 0.110 0.150 0.131 0.136 0.146 0.147 0.101 0.089 0.086 0.105 0.109 Table 4 Long term predictions into the future. The primed errors correspond to the combined system which includes correction of the residuals by a linear perceptron based on the original inputs. 6 THE COMPLEX NETWORK Since the corrections of the secondary network are much smaller than the characteristic weights of the primary network, the corrections can be regarded as resulting from a Taylor expansion of a complex network which include's the combined system. This can be simply implemented in the case of Eq. 14 which can be incorporated in the complex network as direct linear connections from the input layer to the output neuron, in addition to the non-linear hidden layer, i.e., tn d m i=l i=l = L:: Wihi + L viYn-i - () . (15) We train such a complex network on the same problem to see how it compares with the two-step approach of the combined networks described in the previous chapters. The results depend strongly on the training rates of the direct connections, as compared with the training rates of the primary connections (i.e. those of the primary network). When the direct connections are trained faster than the primary ones, the result is a network that resembles a linear perceptron, with non-linear 229 230 Ginzburg and Hom corrections. In this case, the assumption of the direct connections being small corrections to the primary ones no longer holds. The training error and prediction capability of such a network are worse than those of the primary network. On the other hand, when the primary connections are trained using a faster training rate, we expect the final network to be similar in nature to the combined system. Still, the quality of training and prediction of these solutions is not as good as the quality of the combined system, unless a big effort is made to find the correct rates. Typical results of the various systems are presented in Table 5. type of network primary network learning rate of linear weights = 0.1 learning rate of linear weights = 0.02 combined system 0.061 0.062 0.061 0.058 0.072 0.095 0.068 0.062 Table 5 Short term predictions of various networks. The learning rate of primary weights is 0.04. The performance of the complex network can be better than that of the primary network by itself, but it is surpassed by the achievements of the combined system. 7 DISCUSSION It is well known that increasing the complexity of a network is not the guaranteed solution to better performance (Geman et. al. 1992). In this paper we propose an alternative which increases very little the number of free parameters, and focuses on the residual errors one wants to eliminate. Still one may raise the question whether this cannot be achieved in one complex network. It can, provided we are allowed to use different updating rates for different connections. In the extreme limit in which one rate supersedes by far the other one, this is equivalent to a disjoint architecture of a combined two-step system. This emphasizes the point that a solution of a feedforward network to any given task depends on the architecture of the network as well as on its training procedure. The secondary network which we have used was linear, hence it defined a simple regression of the residual on a series of residuals or a series of function values. In both cases the minimum which the network looks for is unique. In the case in which the residual is expressed as a regression on function values, the problem can be recast in a complex architecture. However, the combined procedure guarantees that the linear weights will be small, i.e. we look for a small linear correction to the prediction of the primary network. If one trains all weights of the complex network at the same rate this condition is not met, hence the worse results. We advocate therefore the use of the two-step procedure of the combined set of networks. We note that combined set of networks. We note that the secondary networks perform well on all possible tests: they reduce the training errors, they Combined Neural Networks for Time Series Analysis improve short term predictions and they do better on long term predictions as well. Since this approach is quite general and can be applied to any time-series forecasting problem, we believe it should be always tried as a correction procedure. REFERENCES Geman, S., Bienenstock, E., & Doursat, R., 1992. bias/variance dilemma. Neural Compo 4, 1-58. Neural networks and the Ginzburg, I. & Horn, D. 1992. Learning the rule of a time series. Int. Journal of Neural Systems 3, 167-177. Nowlan, S. J. & Hinton, G. E. 1992. Simplifying neural networks by soft weightsharing. Neural Compo 4, 473-493. Tong, H., & Lim, K. S., 1980. Threshold autoregression, limit cycles and cyclical data. J. R. Stat. Soc. B 42, 245. Weigend, A. S., Huberman, B. A. & Rumelhart, D. E., 1990. Predicting the Future: A Connectionist Approach, Int. Journal of Neural Systems 1, 193-209. 231
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Fast Non-Linear Dimension Reduction Nanda Kambhatla and Todd K. Leen Department of Computer Science and Engineering Oregon Graduate Institute of Science & Technology P.O. Box 91000 Portland, OR 97291-1000 Abstract We present a fast algorithm for non-linear dimension reduction. The algorithm builds a local linear model of the data by merging PCA with clustering based on a new distortion measure. Experiments with speech and image data indicate that the local linear algorithm produces encodings with lower distortion than those built by five layer auto-associative networks. The local linear algorithm is also more than an order of magnitude faster to train. 1 Introduction Feature sets can be more compact than the data they represent. Dimension reduction provides compact representations for storage, transmission, and classification. Dimension reduction algorithms operate by identifying and eliminating statistical redundancies in the data. The optimal linear technique for dimension reduction is principal component analysis (PCA). PCA performs dimension reduction by projecting the original ndimensional data onto the m < n dimensional linear subspace spanned by the leading eigenvectors of the data's covariance matrix. Thus PCA builds a global linear model of the data (an m dimensional hyperplane). Since PCA is sensitive only to correlations, it fails to detect higher-order statistical redundancies. One expects non-linear techniques to provide better performance; i.e. more compact representations with lower distortion. This paper introduces a local linear technique for non-linear dimension reduction. We demonstrate its superiority to a recently proposed global non-linear technique, 152 Fast Non-Linear Dimension Reduction and show that both non-linear algorithms provide better performance than PCA for speech and image data. 2 Global Non-Linear Dimension Reduction Several researchers (e.g. Cottrell and Metcalfe 1991) have used layered feedforward auto-associative networks with a bottle-neck middle layer to perform dimension reduction. It is well known that auto-associative nets with a single hidden layer cannot provide lower distortion than PCA (Bourlard and Kamp, 1988). Recent work (e.g. Oja 1991) shows that five layer auto-associative networks can improve on PCA. These networks have three hidden layers (see Figure l(a)). The first and third hidden layers have non-linear response, and are referred to as the mapping layers. The m < n nodes of the middle or representation layer provide the encoded signal. The first two layers of weights produce a projection from Rn to Rm. The last two layers of weights produce an immersion from R minto R n. If these two maps are well chosen, then the complete mapping from input to output will approximate the identity for the training data. If the data requires the projection and immersion to be non-linear to achieve a good fit, then the network can in principal find such functions. ----,. Low Dimensional Encoding J Original High ?--- Dimensional (a) x Representation (b) 1 Figure 1: (a) A five layer feedforward auto-associative network. This network can perform a non-linear dimension reduction from n to m dimensions. (b) Global curvilinear coordinates built by a five layer network for data distributed on the surface of a hemisphere. When the activations of the representation layer are swept, the outputs trace out the curvilinear coordinates shown by the solid lines. The activities of the nodes in the representation layer form global curvilinear coordinates on a submanifold of the input space (see Figure l(b)). We thus refer to five layer auto-associative networks as a global, nonlinear dimension reduction technique. 153 154 Kambhatla and Leen 3 Locally Linear Dimension Reduction Five layer networks have drawbacks; they can be very slow to train and they are prone to becoming trapped in poor local optima. Furthermore, it may not be possible to accurately fit global, low dimensional, curvilinear coordinates to the data. We propose an alternative that does not suffer from these problems. Our algorithm pieces together local linear coordinate patches. The local regions are defined by the partition of the input space induced by a vector quantizer (VQ). The orientation of the local coordinates is determined by PCA (see Figure 2). In this section, we present two ways to obtain the partition. First we describe an approach that uses Euclidean distance, then we describe a new distortion measure which is optimal for our task (local PCA). -1 .5 -.5 o .;.;.54r-----_ _~ r==---~~~~.......- .25 o -.25 1 Figure 2: Local coordinates built by our algorithm (dubbed VQPCA) for data distributed on the surface of a hemisphere. The solid lines represent the two principal eigen-directions in each Voronoi cell. The region covered by one Voronoi cell is shown shaded. 3.1 Euclidean partitioning Here, we do a clustering (with Euclidean distance) followed by PCA in each of the local regions. The hybrid algorithm, dubbed VQPCA, proceeds in three steps: 1. Using competitive learning, train a VQ (with Euclidean distance) with Q reference vectors (weights) (rl' r2, ... ,rQ). 2. Perform a local PCA within each Voronoi cell of the VQ. For each cell, compute the local covariance matrix for the data with respect to the corresponding reference vector (centroid) rc. Next compute the eigenvectors (e 1, ... ,e~) of each covariance matrix. 3. Choose a target dimension m and project each data vector x onto the leading m eigenvectors to obtain the local linear coordinates z = (e 1. (x - r c), ... , e~ . (x - rc)). Fast Non-Linear Dimension Reduction The encoding of x consists of the index c of the reference cell closest (Euclidean distance) to x, together with the m < n component vector z. The decoding is given by (1) i=l where r c is the reference vector (centroid) for the cell c, and ei are the leading eigenvectors of the covariance matrix of the cell c. The mean squared reconstruction error incurred by VQPCA is m (2) i=l where E[?] denotes an expectation with respect to x, and x is defined in (1). Training the VQ and performing the local PCA are very fast relative to training a five layer network. The training time is dominated by the distance computations for the competitive learning. This computation can be speeded up significantly by using a multi-stage architecture for the VQ (Gray 1984). 3.2 Projection partitioning The VQPCA algorithm as described above is not optimal because the clustering is done independently of the PCA projection. The goal is to minimize the expected error in reconstruction (2). We can realize this by using the expected reconstruction error as the distortion measure for the design of the VQ. The reconstruction error for VQPCA (Erecon defined in (2)) can be written in matrix form as Erecon = E[ (x - ref P; Pc(X - rc)] , (3) where Pc is an m x n matrix whose rows are the orthonormal trailing eigenvectors of the covariance matrix for the cell c. This is the mean squared Euclidean distance between the data and the local hyperplane. The expression for the VQPCA error in (2) suggests the distortion measure d(x, rc) = (x - rc)T P; Pc(x - rc) . (4) We call this the reconstruction distance. The reconstruction distance is the error incurred in approximating x using only m local PCA coefficients. It is the squared projection of the difference vector x - r c on the trailing eigenvectors of the covariance matrix for the cell c. Clustering with respect to the reconstruction distance directly minimizes the expected reconstruction error Erecon. The modified VQPCA algorithm is: 1. Partition the input space using a VQ with the reconstruction distance measure 1 in (4) . 2. Perform a local PCA (same as in steps 2 and 3 of the algorithm as described in section 3.1). IThe VQ is trained using the (batch mode) generalized Lloyd's algorithm (Gersho and Gray, 1992) rather than an on-line competitive learning. This avoids recomputing the matrix Pc (which depends on Tc) for each input vector. 155 156 Kambhatla and Leen 4 Experimental Results We apply PCA, five layer networks (5LNs), and VQPCA to dimension reduction of speech and images. We compare the algorithms using two performance criteria: training time and the distortion in the reconstructed signal. The distortion measure is the normalized reconstruction error: ?recon ?norm 4.1 E[ IIx1l 2 ] E[llx-xI12] E [ IIxll 2 ] Model Construction The 5LNs were trained using three optimization techniques: conjugate gradient descent (CGD), the BFGS algorithm (a quasi-Newton method (Press et al1987)), and stochastic gradient descent (SGD). In order to limit the space of architectures, the 5LNs have the same number of nodes in both of the mapping (second and fourth) layers. For the VQPCA with Euclidean distance, clustering was implemented using standard VQ (VQPCA-Eucl) and multistage quantization (VQPCA-MS-E). The multistage architecture reduces the number of distance calculations and hence the training time for VQPCA (Gray 1984). 4.2 Dimension Reduction of Speech We used examples of the twelve monothongal vowels extracted from continuous speech drawn from the TIMIT database (Fisher and Doddington 1986). Each input vector consists of 32 DFT coefficients (spanning the frequency range 0-4kHz), timeaveraged over the central third of the utterance. We divided the data set into a training set containing 1200 vectors, a validation set containing 408 vectors and a test set containing 408 vectors. The validation set was used for architecture selection (e.g the number of nodes in the mapping layers for the five layer nets). The test set utterances are from speakers not represented in the training set or the validation set. Motivated by the desire to capture formant structure in the vowel encodings, we reduced the data from 32 to 2 dimensions. (Experiments on reduction to 3 dimensions gave similar results to those reported here (Kambhatla and Leen 1993).) Table 1 gives the test set reconstruction errors and the training times. The VQPCA encodings have significantly lower reconstruction error than the global PCA or five layer nets. The best 5LNs have slightly lower reconstruction error than PC A, but are very slow to train. Using the multistage search, VQPCA trains more than two orders of magnitude faster than the best 5LN, and achieves an error about 0.7 times as great. The modified VQPCA algorithm (with the reconstruction distance measure used for clustering) provides the least reconstruction error among all the architectures tried. Fast Non-Linear Dimension Reduction Table 1: Speech data test set reconstruction errors and training times. Architectures represented here are from experiments with the lowest validation set error over the parameter ranges explored. The numbers in the parentheses are the values of the free parameters for the algorithm represented (e.g 5LN-CGD (5) indicates a network with 5 nodes in both the mapping (2nd and 4th) layers, while VQPCA-Eucl (50) indicates a clustering into 50 Voronoi cells). ALGORITHM i norm PCA 5LN-CGD (5) 5LN-BFGS (30) 5LN-SGD (25) VQPCA-Eucl (50) VQPCA-MS-E (9x9) VQPCA-Recon (45) 0.0060 0.0069 0.0057 0.0055 0.0037 0.0036 0.0031 TRAINING TIME (in seconds) 11 956 28,391 94,903 1,454 142 931 Table 2: Reconstruction errors and training times for a 50 to 5 dimension reduction of images. Architectures represented here are from experiments with the lowest validation set error over the parameter ranges explored. 4.3 ALGORITHM i norm PCA 5LN-CGD (40) 5LN-BFGS (20) 5LN-SGD (25) VQPCA-Eucl (20) VQPCA-MS-E (8x8) VQPCA-Recon (25) 0.458 0.298 0.052 0.350 0.140 0.176 0.099 TRAINING TIME (in seconds) 5 3,141 10,389 15,486 163 118 108 Dimension Reduction of Images The data consists of 160 images of the faces of 20 people. Each is a 64x64, 8-bit/pixel grayscale image. We extracted the first 50 principal components of each image and use these as our experimental data. This is the same data and preparation that DeMers and Cottrell used in their study of dimension reduction with five layer auto-associative nets (DeMers and Cottrell 1993). They trained auto-associators to reduce the 50 principal components to 5 dimensions. We divided the data into a training set containing 120 images, a validation set (for architecture selection) containing 20 images and a test set containing 20 images. We reduced the images to 5 dimensions using PCA, 5LNs 2 and VQPCA. Table 2 2We used 5LNs with a configuration of 50-n-5-n-50, n varying from 10 to 40 in increments of 5. The BFGS algorithm posed prohibitive memory and time requirements for n > 20 for this task. 157 158 Kambhatla and Leen Table 3: Reconstruction errors and training times for a SO to S dimension reduction of images (training with all the data). Architectures represented here are from experiments with the lowest error over the parameter ranges explored. ALGORITHM [norm PCA SLN-SGD (30) SLN-SGD (40) VQPCA-Eucl (SO) VQPCA-Recon (SO) 0.40S4 0.1034 0.0729 0.0009 0.0017 TRAINING TIME (in seconds) 7 2S,306 31,980 90S 216 summarizes the results. We notice that a five layer net obtains the encoding with the least error for this data, but it takes a long time to train. Presumably more training data would improve the best VQPCA results. ~.- . '~'-??f-???: .,.. ...- ~. >':~ .. ~.:' - -.?. . _:.I ~1-' T ,., . ' ~ ~ ..~ .. '(;'.... '-".'.'- - Figure 3: Two representative images: Left to right - Original SO-PC image, reconstruction from S-D encodings: PCA, SLN-SGD(40), VQPCA(lO), and VQPCA(SO). For comparison with DeMers and Cottrell's (DeMers and Cottrell 1993) work, we also conducted experiments training with all the data. The results are summarized 3 in Table 3 and Figure 3 shows two sample faces. Both non-linear techniques produce encodings with lower error than PCA, indicating significant non-linear structure in the data. With the same data, and with a SLN with 30 nodes in each mapping layer, DeMers (DeMers and Cottrell 1993) obtains a reconstruction error [norm 0.13174 . We note that the VQPCA algorithms achieve an order of magnitude improvement over five layer nets both in terms of speed of training and the accuracy of encodings. 3For 5LNs, we only show results with SGD in order to compare with the experimental results of DeMers. For this data, 5LN-CGD gave encodings with a higher error and 5LNBFGS posed prohibitive memory and computational requirements. 4DeMers reports half the MSE per output node, E = (1/2) * (1/50) * MSE = 0.00l. This corresponds to [norm = 0.1317 Fast Non-Linear Dimension Reduction 5 Summary We have presented a local linear algorithm for dimension reduction. We propose a new distance measure which is optimal for the task of local PCA. Our results with speech and image data indicate that the nonlinear techniques provide more accurate encodings than PCA. Our local linear algorithm produces more accurate encodings (except for one simulation with image data), and trains much faster than five layer auto-associative networks. Acknowledgments This work was supported by grants from the Air Force Office of Scientific Research (F49620-93-1-0253) and Electric Power Research Institute (RP8015-2). The authors are grateful to Gary Cottrell and David DeMers for providing their image database and clarifying their experimental results. We also thank our colleagues in the Center for Spoken Language Understanding at OGI for providing speech data. References H. Bourlard and Y. Kamp. (1988) Auto-association by multilayer perceptrons and singular value decomposition. Biological Cybernetics, 59:291-294. G. Cottrell and J. Metcalfe. (1991) EMPATH: Face, emotion, and gender recognition using holons. In R. Lippmann, John Moody and D. Touretzky, editors, Advances in Neural Information Processing Systems 3, pages 564-571. Morgan Kauffmann. D. DeMers and G. Cottrell. (1993) Non-linear dimensionality reduction. In Giles, Hanson, and Cowan, editors, Advances in Neural Information Processing Systems 5. San Mateo, CA: Morgan Kaufmann. W. M. Fisher and G. R. Doddington. (1986) The DARPA speech recognition research database: specification and status. In Proceedings of the DARPA Speech Recognition Workshop, pages 93-99, Palo Alto, CA. A. Gersho and R. M. Gray. (1992) Vector Quantization and Signal Compression. Kluwer academic publishers. R. M. Gray. (1984) Vector quantization. IEEE ASSP Magazine, pages 4-29. N. Kambhatla and T. K. Leen. (1993) Fast non-linear dimension reduction. In IEEE International Conference on Neural Networks, Vol. 3, pages 1213-1218. IEEE. E. Oja. (1991) Data compression, feature extraction, and autoassociation in feedforward neural networks. In Artificial Neural Networks, pages 737-745. Elsevier Science Publishers B. V. (N orth-Holland) . W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling. (1987) Numerical Recipes - the Art of Scientific Computing. Cambridge University Press, Cambridge/New York. 159
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Decoding Cursive Scripts Yoram Singer and Naftali Tishby Institute of Computer Science and Center for Neural Computation Hebrew University, Jerusalem 91904, Israel Abstract Online cursive handwriting recognition is currently one of the most intriguing challenges in pattern recognition. This study presents a novel approach to this problem which is composed of two complementary phases. The first is dynamic encoding of the writing trajectory into a compact sequence of discrete motor control symbols. In this compact representation we largely remove the redundancy of the script, while preserving most of its intelligible components. In the second phase these control sequences are used to train adaptive probabilistic acyclic automata (PAA) for the important ingredients of the writing trajectories, e.g. letters. We present a new and efficient learning algorithm for such stochastic automata, and demonstrate its utility for spotting and segmentation of cursive scripts. Our experiments show that over 90% of the letters are correctly spotted and identified, prior to any higher level language model. Moreover, both the training and recognition algorithms are very efficient compared to other modeling methods, and the models are 'on-line' adaptable to other writers and styles. 1 Introduction While the emerging technology of pen-computing is already available on the world's markets, there is an on growing gap between the state of the hardware and the quality of the available online handwriting recognition algorithms. Clearly, the critical requirement for the success of this technology is the availability of reliable and robust cursive handwriting recognition methods. 833 834 Singer and Tishby We have previously proposed a dynamic encoding scheme for cursive handwriting based on an oscillatory model of handwriting [8, 9] and demonstrated its power mainly through analysis by synthesis . Here we continue with this paradigm and use the dynamic encoding scheme as the front-end for a complete stochastic model of cursive script. The accumulated experience in temporal pattern recognition in the past 30 years has yielded some important lessons relevant to handwriting. The first is that one can not predefine the basic 'units' of such temporal patterns due to the strong interaction, or 'coarticulation ' , between such units. Any reasonable model must allow for the large variability of the basic handwriting components in different contexts and by different writers. Thus true adaptability is a key ingredient of a good stochastic model of handwriting. Most, if not all, currently used models of handwriting and speech are hard to adapt and require vast amounts of training data for some robustness in performance. In this paper we propose a simpler stochastic modeling scheme , which we call Probabilistic Acyclic Automata (PAA), with the important feature of being adaptive. The training algorithm modifies the architecture and dimensionality of the model while optimizing its predictive power. This is achieved through the minimization of the "description length" of the model and training sequences, following the minimum description length (MDL) principle. Another interesting feature of our algorithm is that precisely the same procedure is used in both training and recognition phases, which enables continuous adaptation. The structure of the paper is as follows. In section 2 we review our dynamic encoding method, used as the front-end to the stochastic modeling phase. We briefly describe the estimation and quantization process, and show how the discrete motor control sequences are estimated and used , in section 3. Section 4 deals with our stochastic modeling approach and the PAA learning algorithm. The algorithm is demonstrated by the modeling of handwritten letters. Sections 5 and 6 deal with preliminary applications of our approach to segmentation and recognition of cursi ve handwriting. 2 Dynamic encoding of cursive handwriting Motivated by the oscillatory motion model of handwriting, as described e.g. by Hollerbach in 1981 [2], we developed a parameter estimation and regularization method which serves for the analysis, synthesis and coding of cursive handwriting . This regularization technique results in a compact and efficient discrete representation of handwriting. Handwriting is generated by the human muscular motor system, which can be simplified as spring muscles near a mechanical equilibrium state. When the movements are small it is justified to assume that the spring muscles operate in the linear regime , so the basic movements are simple harmonic oscillations, superimposed by a simple linear drift. Movements are excited by selecting a pair of agonist-antagonist muscles that are modeled by the spring pair. In a restricted form this simple motion is described by the following two equations , Vx(t) = x(t) = acos(wxt + f/;) + c Vy(t) = yet) = bcos(wyt) , (1) where Vx(t) and Vy(t) are the horizontal and vertical pen velocities respectively, Wx and Wy are the angular velocities, a, b are the velocity amplitudes, ? is the relative Decoding Cursive Scripts phase lag , and c is the horizontal drift velocity. Assuming that these describe the true trajectory, the horizontal drift, c, is estimated as the average horizontal velocity, c = Jv 2:[:1 Vx(i). For fixed values of the parameters a, b,w and 1; these equations describe a cycloidal trajectory. Our main assumption is that the cycloidal trajectory is the natural (free) pen motion, which is modified only at the velocity zero crossings. Thus changes in the dynamical parameters occur only at t he zero crossings and preserve the continuity of the velocity field. This assumption implies that the angular velocities W x , Wy and amplitudes a, b can be considered constant between consecutive zero crossings. Denoting by tf and t; , the i'th zero crossing locations of the horizontal and vertical velocities , and by Li and L; , the horizontal and vertical progression during the i 'th interval, then the estimated amplitudes are, a = 2(tf~ =tX) , b = 2(J~ :t Y )' Those .+1 ? .+1 ? amplitudes define the vertical and horizontal scales of the written letters. Examination of the vertical velocity dynamics reveals the following : (a) There is a virtual center of the vertical movement and velocity trajectory is approximately symmetric around this center. (b) The vertical velocity zero crossings occur while the pen is at almost fixed vertical levels which correspond to high, normal and low modulation values, yielding altogether 5 quantized levels. The actual pen levels achieved at the vertical velocity zero crossings vary around the quantized values, with approximately normal distribution. Let the indicator, It (It E {I , . . . , 5}), be the most probable quantized level when the pen is at the position obtained at the t'th zero crossing. \Ve need to estimate concurrently the 5 quantized levels H 1, ... , H 5, their variance (J' (assumed the same for all levels), and the indicators It. In this model the observed data is the sequence of actual pen levels L(t), while the complete data is the sequence of levels and indicators {It , L(t)} . The task of estimating the parameters {Hi , (J'} is performed via maximum likelihood estimation from incomplete data, commonly done by the EM algorithm[l] and described in [9]. The horizontal amplitude is similarly quantized to 3 levels. After performing slant equalization of the handwriting, namely, orthogonalizing the x and y motions , the velocities Vx(t) , "~(t) become approximately uncorrelated. When Wx ~ w y , the two velocities are uncorrelated if there is a ?90 0 phase-lag between Vx and Vy . There are also locations of total halt in both velocities (no pen movement) which we take as a zero phase lag . Considering the vertical oscillations as a 'master clock', the horizontal oscillations can be viewed as a 'slave clock ' whose phase and amplitude vary around the 'master clock'. For English cursive writing, the frequency ratio between the two clocks is limited to the set {~, 1,2}, thus Vy induces a grid for the possible Vx zero crossings. The phase-lag of the horizontal oscillation is therefore restricted to the values 00, ?90 0 at the zero crossings of Vy . The most likely phase-lag trajectory is determined by dynamic programming over the entire grid. At the end of this process the horizontal oscillations are fully determined by the vertical oscillations and the pen trajectory 's description greatly simplified. The variations in the vertical angular velocity for a given writer are small, except in short intervals where the writer hesitates or stops. The only information that should be preserved is the typical vertical angular velocity, denoted by w. The 835 836 Singer and Tishby normalized discretized equations of motion now become, {~ sin(wt + <Pi) + 1 hsin(wt) ai ai E {AI, Ai, A3} <Pj E {-90?, 0?, 90?} hE {H1 2 - Hil 11::; 11 ,/2 ::; 5} . (2) We used analysis by synthesis technique in order to verify our assumptions and estimation scheme. The final result of the whole process is depicted in Fig. 1, where the original handwriting is plotted together with its reconstruction from the discrete representation. Figure 1: The original and the fully quantized cursive scripts. 3 Discrete control sequences The process described in the previous section results in a many to one mapping from the continuous velocity field, Vx(t), Vy(t), to a discrete set of symbols. This set is composed of the cartesian product of the quantized vertical and horizontal amplitudes and the phase-lags between these velocities . We treat this discrete control sequence as a cartesian product time series . Using the value (0' to indicate that the corresponding oscillation continues with the same dynamics , a change in the phase lag can be encoded by setting the code to zero for one dimension, while switching to a new value in the other dimension. A zero in both dimensions indicates no activity. In this way we can model 'pen ups' intervals and incorporate auxiliary symbols like 'dashes', 'dots', and 'crosses', that play an important role in resolving disambiguations between letters. These auxiliary are modeled as a separate channel and are ordered according to their X coordinate . We encode the control levels by numbers from 1 to 5 , for the 5 levels of vertical positions. The quantized horizontal amplitudes are coded by 5 values as well: 2 for positive amplitudes (small and large), 2 for negative amplitudes, and one for zero amplitude. Below is an example of our discrete representation for the handwriting depicted in Fig. 1. The upper and lower lines encode the vertical and horizontal oscillations respectively, and the auxiliary channel is omitted. In this example there is only one location where both symbols are (0', indicating a pen-up at the end of the word. 240204204001005002040202204020402424204020500204020402400440240220 104034030410420320401050010502425305010502041032403050033105001000 4 Stochastic modeling of the motor control sequences Existing stochastic modeling methods, such as Hidden Markov Models (HMM) [3], suffer from several serious drawbacks. They suffer from the need to 'fix' a-priory the Decoding Cursive Scripts architecture of the model; they require large amounts of segmented training data; and they are very hard to adapt to new data. The stochastic model presented here is an on-line learning algorithm whose important property is its simple adaptability to new examples. We begin with a brief introduction to probabilistic automata , leaving the theoretical issues and some of the more technical details to another place. A probabilistic automaton is a 6-tuple (Q , ~ , T", qs, qe), where Q is a finite set of n states, ~ is an alphabet of size k, T : Q x ~ --+ Q is the state transition function, , : ~ x Q --+ [0,1] is the transition (output) probability where for every q E Q, LaE~ ,( O'lq) = l. qs E Q is a start state, and qe E Q is an end state. A probabilistic automaton is called acyclic if it contains no cycles. We denote such automata by PAA. This type of automaton is also known as a Markov process with a single source and a single absorbing state. The rest of the states are all transient states . Such automata induce non-zero probabilities on a finite set of strings . Given an input string a = (0'1, .. . , 0' n) if at the of end its 'run' the automaton entered the final state qe, the probability of a string a is defined to be, pea) n{:l ,(O'ilqi-l) where qo = qs, qi = T(qi-1, O'i) . On the other hand , if qN f. qe then pea) = O. = The inference of the P AA structure from data can be viewed as a communication problem. Suppose that one wants to transmit an ensemble of strings, all created by the same PAA. If both sides know the structure and probabilities of the PAA then the transmitter can optimally encode the strings by using the PAA transition probabilities. If only the transmitter knows the structure and the receiver has to discover it while receiving new strings, each time a new transition occurs , the transmitter has to send the next state index as well . Since the automaton is acyclic, the possible next states are limited to those which do not form a cycle when the new edge is added to the automaton. Let k~ be the number of legal next states from a state q known to the receiver at time t. Then the encoding of the next state index requires at least log2(k~ + 1) bits. The receiver also needs to estimate the state transition probability from the previously received strings. Let n(O'lq) be the number of times the symbol 0' has been observed by the receiver while being in state q. Then the transition probability is estimated by Laplace 's rule of succession , ?(O'lq) = L n(alq )~\ 1 I' In sum, if q is the current state and ktq the number of I (7 EE n(al q +~ possible next states known to the receiver , the number of bits required to encode the next symbol 0' (assuming optimal coding scheme) is given by: (a) if the transition T(q, 0') has already been observed: -log2(P(0'Iq)) ; (b) if the transition T(q, 0') has never occurred before : -log2(.P(0'Iq)) + log2(k~ + 1). In training such a model from empirical observations it is necessary to infer the structure of the PAA as well its parameters . We can thus use the above coding scheme to find a minimal description length (MDL) of the data , provided that our model assumption is correct. Since the true PAA is not known to us, we need to imitate the role of the receiver in order to find the optimal coding of a message. This can be done efficiently via dynamic programming for each individual string. After the optimal coding for a single string has been found , the new states are added , the transition probabilities ?(O'lq) are updated and the number of legal next states kg is recalculated. An exan~ple of the learning algorithm is given in Fig. 2, with the estimated probabilities P, written on the graph edges. 837 838 Singer and Tishby (b) (d) Figure 2: Demonstration of the PAA learning algorithm . Figure (a) shows the original automaton from which the examples were created. Figures (b )-( d) are the intermediate automata built by the algorithm. Edges drawn with bold , dashed, and grey lines correspond to transitions with the symbols '0', '1', and the terminating symbol , respectively. 5 Automatic segmentation of cursive scripts Since the learning algorithm of a PAA is an on-line scheme, only a small number of segmented examples is needed in order to built an initial model. For cursive handwriting we manually collected and segmented about 10 examples, for each lower case cursive letter , and built 26 initial models. At this stage the models are small and do not capture the full variability of the control sequences. Yet this set of initial automata was sufficient to gradually segment cursive scripts into letters and update the models from these segments. Segmented words with high likelihood are fed back into the learning algorithm and the models are further refined. The process is iterated until all the training data is segmented with high likelihood. The likelihood of new data might not be defined due the incompleteness of the automata, hence the learning algorithm is again applied in order to induce probabilities. Let Pi~j be the probability that a model 5 (which represents a cursive letter) generates the control symbols Si, ... , Sj -1 (j > i). The log-likelihood of a proposed segmentation (i1, i 2 , ... , iN+d of a word 5 1 ,52 , ... , 5 N is, N L ((i1, . . . , iN+1)1(51, ... , 5N) , (Sl, . . . , sL)) = log(II Pi~~iJ+J = j=l N L log(Pi~~iJ+l) j=l The segmentation is calculated efficiently by maintaining a layers graph and using dynamic programming to compute recursively the most likely segmentation. Formally, let M L( n, k) be the highest likelihood segmentation of the word up to the Decoding Cursive Scripts n'th control symbol and the k'th letter in the word. Then, M L(n, k) = . ma~ tk-l~t~n {M L(i, k - 1) + log (Pi:~)} The best segmentation is obtained by tracking the most likely path from M(N, L) back to M(l, 1) . The result of such a segmentation is depicted in Fig. 3. Figure 3: Temporal segmentation of the word impossible. The segmentation is performed by applying the automata of the letters contained in the word, and finding the Maximum-Likelihood sequence of models via dynamic programming. 6 Inducing probabilities for unlabeled words Using this scheme we automatically segmented a database which contained about 1200 frequent english words , by three different writers. After adding the segmented letters to the training set the resulting automata were general enough, yet very compact. Thus inducing probabilities and recognition of unlabeled data could be performed efficiently. The probability of locating letters in certain locations in new unlabeled words (i.e. words whose transcription is not given) can be evaluated by the automata. These probabilities are calculated by applying the various models on each sub-string of the control sequence, in parallel. Since the automata can accommodate different lengths of observations, the log-likelihood should be divided by the length of the sequence. This normalized log-likelihood is an approximation of the entropy induced by the models, and measures the uncertainty in determining the transcription of a word. The score which measures the uncertainty of the occurrence of a letter S in place n in the a word is, Score(nIS) maxI 10g(P:'n+l_d. The result of applying several automata to a new word is shown in Fig. 4. High probability of a given automaton indicates a beginning of a letter with the corresponding model. The probabilities for the letters k, a, e, b are plotted top to bottom. The correspondence between high likelihood points and the relevant locations in the words are shown with dashed lines. These locations occur near the 'true' occurrence of the letter and indicate that these probabilities can be used for recognition and spotting of cursive handwriting. There are other locations where the automata obtain high scores. These correspond to words with high similarity to the model letter and can be resolved by higher level models, similar to techniques used in speech. = 7 t Conclusions and future research In this paper we present a novel stochastic modeling approach for the analysis, spotting, and recognition of online cursive handwriting. Our scheme is based on a 839 840 Singer and Tishby Figure 4: The normalized log-likelihood scores induced by the automata for the letters k, a, e, and b (top to bottom). Locations with high score are marked with dashed lines and indicate the relative positions of the letters in the word. discrete dynamic representation of the handwriting trajectory, followed by training adaptive probabilistic automata for frequent writing sequences. These automata are easy to train and provide simple adaptation mechanism with sufficient power to capture the high variability of cursively written words . Preliminary experiments show that over 90% of the single letters are correctly identified and located, without any additional higher level language model. Methods for higher level statistical language models are also being investigated [6], and will be incorporated into a complete recognition system. Acknowledgments We would like to thank Dana Ron for useful discussions and Lee Giles for providing us with the software for plotting finite state machines. Y.S. would like to thank the Clore foundation for its support. References [1] A. Dempster, N. Laird, and D. Rubin. Maximum likelihood estimation from incomplete data via the EM algorithm. 1. Roy. Statist. Soc., 39(B):1-38, 1977. [2] J .M. Hollerbach. An oscillation theory of handwriting. Bio. Cyb., 39, 1981. [3] L.R. Rabiner. A tutorial on hidden markov models and selected applications in speech recognition. Proc. IEEE, pages 257-286, Feb. 1989. [4] J . Rissanen. Modeling by shortest data description. Automaiica, 14, 1978. [5] J. Rissanen. Stochastic complexity and modeling. Annals of Stat., 14(3), 1986. [6] D. Ron, Y. Singer, and N. Tishby. The power of amnesia. In this volume. [7] D.E. Rumelhart. Theory to practice: a case study - recognizing cursive handwriting. In Proc. of 1992 NEC Conf. on Computation and Cognition. [8] Y. Singer and N. Tishby. Dynamical encoding of cursive handwriting. In IEEE Conference on Computer Vision and Pattern Recognition, 1993. [9] Y. Singer and N. Tishby. Dynamical encoding of cursive handwriting. Technical Report CS93-4, The Hebrew University of Jerusalem, 1993. PART VII IMPLEMENTATIONS
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Connectionist Models for A uditory Scene Analysis Richard o. Duda Department of Electrical Engineering San Jose State University San Jose, CA 95192 Abstract Although the visual and auditory systems share the same basic tasks of informing an organism about its environment, most connectionist work on hearing to date has been devoted to the very different problem of speech recognition . VVe believe that the most fundamental task of the auditory system is the analysis of acoustic signals into components corresponding to individual sound sources, which Bregman has called auditory scene analysis . Computational and connectionist work on auditory scene analysis is reviewed, and the outline of a general model that includes these approaches is described. 1 INTRODUCTION The primary task of any perceptual system is to tell us about the external world. The primary problem is that the sensory inputs provide too much data and too little information. A perceptual system must glean from the flood of incomplete, noisy, redundant and constantly changing streams of data those invariant properties that reveal important objects and events in the environment. For humans, the perceptual systems with the widest bandwidths are the visual system and the auditory system. There are many obvious similarities and differences between these modalities, and in addition to using them to perceive different aspects of the physical world, we also use them in quite different ways to communicate with one another. 1069 1070 Duda The earliest neural-network models for vision and hearing addressed problems in pattern recognition, with optical character recognition and isolated word recognition among the first engineering applications. However, about twenty years ago the research goals in vision and hearing began to diverge. In particular, the need for computers to perceive the external environment motivated vision researchers to seek the principles and procedures for recovering information about the physical world from visual data (Marr, 1982; Ballard and Brown, 1982). By contrast, the vast majority of work on machine audition remained focused on the communication problem of speech recognition (Morgan and Scofield, 1991; Rabiner and Juang, 1993). While this focus has produced considerable progress, the resulting systems are still not very robust, and perform poorly in uncontrolled environments. Furthermore, as Richards (1988) has noted, " ... Speech, like writing and reading, is a specialized skill of advanced animals, and understanding speech need not be the best route to understanding how we interpret the patterns of natural sounds that comprise most of the acoustic spectrum about us." In recent years, some researchers concerned with modeling audition have begun to shift their attention from speech understanding to sound understanding. The inspiration for much of this activity has come from the work of Bregman, whose book on auditory scene analysis documents experimental evidence for important gestalt principles that summarize the ways that people group elementary events in frequency /time into sound objects or streams (Bregman, 1990). In this survey paper, we briefly review this activity and consider its implications for the development of connectionist models for auditory scene analysis. 2 AUDITORY SCENE ANALYSIS In vision, Marr (1982) emphasized the importance of identifying the tasks of the visual system and developing a computational theory that is distinct from particular algorithms or implementations. The computational theory had to specify the problems to be solved, the sensory data that is available, and the additional knowledge or assumptions required to solve the problems. Among the various tasks of the visual system, Marr believed that the recovery of the three-dimensional shapes of the surfaces of objects from the sensory image data was the most fundamental. The auditory system also has basic tasks that are more primitive than the recognition of speech. These include (1) the separation of different sound sources, (2) the localization of the sources in space (3) the suppression of echoes and reverberation, (4) the decoupling of sources from the environment, (5) the characterization of the sources, and (6) the characterization of the environment. Unfortunately, the relation between physical sound sources and perceived sound streams is not a simple one-to-one correspondence. Distributed sound sources, echoes, and synthetic sounds can easily confuse auditory perception. Nevertheless, humans still do much better at these six basic tasks than any machine hearing system that exists today. From the standpoint of physics, the raw data available for performing these tasks is the pair of acoustic signals arriving at the two ears. From the standpoint of neurophysiology, the raw data is the activity on the auditory nerve. The nonlinear, mechallo-neural spectral analysis performed by the cochlea converts sound pressure fluctuations into auditory nerve firings. For better or for worse , the cochlea Connectionist Models for Auditory Scene Analysis decomposes the signal into many frequency components, transforming it into a frequency /time (or, more accurately, a place/time) spectrogram-like representation. The auditory system must find the underlying order in this dynamic flow of data. For a specific case, consider a simple musical mixture of several periodic signals. \Vithin its limits of resolution, the cochlea decomposes each individual signal into its discrete harmonic components. Yet, under ordinary circumstances, we do not hear these components as separate sounds, but rather we fuse them into a single sound having, as musicians say, its particular timbre or tone color. However, if there is something distinctive about the different signals (such as different pitch or different modulation), we do not fuse all of the sounds together, but rather hear the separate sources, each with its own timbre. What information is available to group the spectral components into sound streams? Hartmann (1988) identifies the following factors that influence grouping: (1) common onset/offset, (2) common harmonic relations, (3) common modulation, (4) common spatial origin, (5) continuity of spectral envelope, (6) duration, (7) sound pressure level, and (8) context. These properties are easier to name than to precisely specify, and it is not surprising that no current model incorporates them all. However, several auditory scene analysis systems have been built that exploit some subset of these cues (''''eintraub, 1985; Cooke, 1993; Mellinger, 1991; Brown, 1992; Brown and Cooke, 1993; Ellis, 1993). Although these are computational rather than connectionist models, most of them at least find inspiration in the structure of the mammalian auditory system. 3 NEURAL AND CONNECTIONIST MODELS The neural pathways from the cochlea through the brainstem nuclei to the auditory cortex are complex, but have been extensively investigated. Although this system is far from completely understood, neurons in the brainstem nuclei are known to be sensitive to various acoustic features - onsets, offsets and modulation in the dorsal cochlear nucleus, interaural time differences (lTD's) in the medial superior olive (MSO), interaural intensity differences (IID's) in the lateral superior olive (LSO), and spatial location maps in the inferior colliculus (Pickles, 1988). Both functional and connectionist models have been developed for all of these functions. Because it is both important and relatively well understood, the cochlea has received by far the most attention (Allen, 1985). As a result of this work, we now have real-time implementations for some of these models as analog VLSI chips (Lyon and Mead, 1988; Lazzaro et al., 1993). Connectionist models for sound localization have also been extensively explored. Indeed, one of the earliest of all neural network models was Jeffress's classic crosscorrelation model (Jeffress, 1948), which was hypothesized forty years before neural crosscorrelation structures were actually found in the barn owl (Carr and Konishi, 1988). Models have subsequently been proposed for both the LSO (Reed and Blum, 1990) and the TvISO (Han and Colburn, 1991). Mathematically, both the lTD and IID cues for binaural localization are exposed by crosscorrelation. Lyon showed that cross correlation can also be used to separate as well as localize the signals (Lyon, 1983). VLSI cross correlation chips can provide this information in real time (Lazzaro and Mead, 1989; Bhadkamkar and Fowler, 1993). 1071 1072 Duda While interaural crosscorrelation can determine the azimuth to a sound source, full three-dimensional localization also requires the determination of elevation and range. Because of a lack of symmetry in the orientation of its ears, the barn owl can actually determine azimuth from the lTD and elevation from the IID. This at least in part explains why it has been such a popular choice for connectionist modeling (Spence et al., 1990; Moiseff et al., 1991; Palmieri et al., 1991; Rosen, Rumelhart and Knudsen, 1993) . Unfortunately, the localization mechanisms used by humans are more complicated. It is well known that humans use monaural, spectral shape cues to estimate elevation in the median sagittal plane (Blauert, 1983; Middlebrooks and Green, 1991), and source localization models based on this approach have been developed (Neti, Young and Schneider, 1992; Zakarauskas and Cynander, 1993). The author has shown that there are strong binaural cues for elevation at short distances away from the median plane, and has used statistical methods to estimate both azimuth and elevation accurately from IID data alone (Duda, 1994). In addition, backprop models have been developed that can estimate azimuth and elevation from IID and lTD inputs jointly (Backman and Karjalainen 93; Anderson, Gilkey and Janko, 1994). Finally, psychologists have long been aware of an important reverberationsuppression phenomenon known as the precedence effect or the law of the first wavefront (Zurek , 1987). It is usually summarized by saying that echoes of a sound source have little effect on its localization, and are not even consciously heard if they are not delayed more than the so-called echo threshold, which ranges from 5-10 ms for sharp clicks to more than 50 ms for music. It is generally believed that the precedence effect can be accounted for by contralateral inhibition in the crosscorrelation process, and Lindemann has accounted for many of the phenomena by a conceptually simple connectionist model (Lindemann, 1986). However, Clifton and her colleagues have found that the echoes are indeed heard if the timing of the echoes suddenly changes, as might happen when one moves from one acoustic environment into another one (Clifton 1987; Freyman, Clifton and Litovsky, 1991). Clifton conjectures that the auditory system is continually analyzing echo patterns to model the acoustic environment, and that the resulting expectations modify the echo threshold . This suggests that simple crosscorrelation models will not be adequate when the listener is moving, and thus that even the localization problem is still unsolved. 4 ARCHITECTURE OF AN AUDITORY MODEL If we look back at the six basic tasks for the auditory system, we see that only one (source localization) ha.s received much attention from connectionist researchers, and its solution is incomplete. In particular, current localization models cannot handle multiple sources and cannot cope with significant room echoes and reverberation. The common problem for all of the basic tasks is that of source separation, which only the a.uditory scene analysis systems have addressed. Fig. 1 shows a functional block diagram for a hypothetical auditory model that combines the computational and connectionist models and has the potential of coping with a multisource environment . The inputs to the model are the left-ear Connectionist Models for Auditory Scene Analysis and right-ear signals, and the main output is a dynamic set of streams. The system is primarily data driven, although low-bandwidth efferent paths could be added for tasks such as automatic gain control. Data flow on the left half of the diagram is monaural, and dataflow of the right half is binaural. The binaural processing is based on crosscorrelation analysis of the cochlear outputs. The author has shown that interaural differences not only effective in determining azimuth, but can also be used to determine elevation as well (Duda, 1994). V\'e have chosen to follow Slaney and Lyon (Slaney and Lyon, 1993) in basing the monaural analysis on autocorrelation analysis. Originally proposed by Licklider (1951) to explain pitch phenomena, autocorrelation is a biologically plausible operation that supports the common onset, modulation and harmonicity analysis needed for stream formation (Duda, Lyon and Slaney, 1990; Brown and Cooke, 1993). While the processes at lower levels of this diagram are relatively well understood, the process of stream formation is problematic. Bregman (1990) has posed this problem in terms of grouping the components of the "neural spectrogram" in both frequency and time. He has identified two principles that seem to be employed in stream formation: exclusive allocation (a component may not be used in more than one description at a time) and accounting (all incoming components must be assigned to some source). The various auditory scene analysis systems that we mentioned earlier provide different mechanisms for exploiting these principles to form auditory streams. Unfortunately, the principles admit of exceptions, and the existing implementations seem rather ad hoc and arbitrary. The development of a biologically plausible model for stream formation is the central unsolved problem for connectionist research in audition. Short? Term Memory Stream Formation Aud~ory Monaural Maps Auto-Correlatlon Analysis Cross-Correiation Analysis Spectral Analysis (Cochlear Model) Spectral Analysis (Cochlear Model) Left Input Right Input I Figure 1: Block diagram for a basic auditory model 1073 1074 Duda Acknowledgements This work was supported by the National Science Foundation under NSF Grant No. IRI-9214233. This paper could not have been written without the many discussions on these topics with Al Bregman, Dick Lyon, David Mellinger, Bernard MontReynaud, John R. Pierce, Malcolm Slaney and J. Martin Tenenbaum, and from the stimulating CCRMA Hearing Seminar at Stanford University that Bernard initiated and that Malcolm has maintained and invigorated. References Allen, J. B. (1985). "Cochlear modeling," IEEE ASSP Magazine, vol. 2, pp. 3-29. Anderson, T. R., R. H. Gilkey and J. A. Janko (1994). "Using neural networks to model human sound localization," in T. Anderson and R. H. Gilkey (eds.), Binaural and Spatial Hearing. Hillsdale, NJ: Lawrence Erlbaum Associates. Backman, J. and M. Karjalainen (1993). "Modelling of human directional and spatial hearing using neural networks," ICASSP93 , pp. 1-125-1-128. (Minneapolis, MN). Bhadkamkar, N. and B. Fowler (1993). "A sound localization system based on biological analogy," 1993 IEEE International Conference on Neural Networks, pp. 1902-1907. (San Francisco, CA). Ballard, D. H. and C . M. Brown (1982). Computer Vision. Englewood Cliffs, NJ: Prentice-Hall. Blauert, J. P. (1983). Spatial Hearing. Cambridge, MA: MIT Press. Bregman, A. 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Gail and \V. M. Cowan (eds.), Auditory Function. New York, NY: John 'Wiley and Sons, Inc. Jeffress, L. A. (1948). "A place theory of sound localization," J. Compo Physiol. Psychol., vol. 41, pp. 35-39. Lazzaro, J. and C. A. Mead (1989). "A silicon model of auditory localization," Neural Computation, vol. 1, pp. 47-57. Lazzaro, J., J. \Vawrzynek, :M. Mahowald, M. Sivilotti and D. Gillespie (1993). "Silicon auditory processors as computer peripherals," IEEE Transactions on Neural Networks, vol. 4, pp. 523-528. Licklider, J. C. R. (1951). "A duplex theory of pitch perception," Experentia, vol. 7, pp. 128-133. Lindemann, W. (1986). "Extension of a binaural cross-correlation model by contralateral inhibition. I. Simulation of lateralization for stationary signals," J. Acoust. Soc. Am., vol. 80, pp. 1608-1622; II. The law of the first wave front," J. Acoust. Soc. Am., vol. 80, pp. 1623-1630. Lyon, R. F. (1983). "A computational model of binaural localization and separation," ICASSP83 , pp. 1148-1151. (Boston, MA). Lyon, R. F. and C. Mead (1988). "An analog electronic cochlea," IEEE Trans. Acoustics, Speech and Signal Processing, vol. 36, pp. 1119-1134. Marr, D. (1982). Vision. San Francisco, CA: \V. H. Freeman and Company. Mellinger, D. K. (1991). "Event formation and separation of musical sound," PhD dissertation, Department of Music, Stanford University, Stanford, CA; Report No. STAN-M-77, Center for Computer Research in Music and Acoustics, Stanford University, Stanford, CA. Middlebrooks, J. C. and D. M. Green (1991). "Sound localization by human listeners," Annu. Rev. Psychol., vol. 42, pp. 135-159. Moiseff, A. et al. (1991). "An artificial neural network for studying binaural sound localization," Proc. 1991 IEEE Seventeenth Annual Northeast Bioengineering Conference, pp. 1-2 (Hartford, CT). 1075 1076 Duda Morgan, D. P. and C. 1. Scofield (1991). Neural Networks and Speech Processing. Boston, MA: Kluwer Academic Publishers. Neti, C., E. D. Young and M. H. Schneider (1992). "Neural network models of sound localization based on directional filtering by the pinna," J. Acoust. Soc. Am., vol. 92, pp. 3140-3156. Palmieri, F., M. Datum, A. Shah and A. Moiseff (1991). "Sound localization with a neural network trained with the multiple extended Kalman algorithm," Proc. Int. Joint Conf. on Neural Networks, pp. 1125-1131 (Seattle, \VA). Pickles, James O. (1988). An Introduction to the Physiology of Hearing, 2nd edition. London, Academic Press, 1988. Rabiner, L. and B-H Juang (1993). Fundamentals of Speech Recognition. Engelwood Cliffs, NJ: Prentice-Hall. Reed, M. C. and J . J. Blum (1990). "A model for the computation and encoding of azimuthal information by the lateral superior olive," J. Acoust. Soc. Am., vol. 88, pp. 1442-1453. Richards, Vi. (1988). "Sound interpretation," in \TV. Richards (ed.), Natural Computation, pp. 301-308. Cambridge, MA: MIT Press . Rosen, D. , D. Rumelhart and E. Knudsen (1993). "A connectionist model of the owl's localization system," in J. D. Cowan, G. Tesauro and J. Alspector (eds.), Advances in Neural Information Processing Systems 6. San Francisco, CA: Morgan Kaufmann Publishers. Slaney, M. and R. F. Lyon (1993). "On the importance of time - A temporal representation of sound," in M. Cooke, S. Beet and M. Crawford (eds.), Visual Representations of Speech Signals, pp. 95-116. Chichester, England: John \TViley and Sons. Spence, C. D. and J. C. Pearson (1990). "The computation of sound source elevation in the barn owl," in D. S. Touretzsky (ed.), Advances in Neural Information Processing Systems 2, pp. 10-17. San Mateo, CA: Morgan Kaufmann. Weintraub, M. (1985). "A theory and computational model of auditory monaural sound separation," PhD dissertation, Department of Electrical Engineering, Stanford University, Stanford, CA. Zakarauskas, P. and M. S. Cynander (1993). "A computational theory of spectral cue localization," J. Acoust. Soc. Am., vol. 94, pp. 1323-1331. Zurek , P. M. (1987). "The precedence effect," in \TV. A. Yost and G . Gourevitch (eds.) Directional Hearing, pp. 85-106. New York, NY: Springer Verlag.
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Connectionist Modeling and Parallel Architectures Joachim Diederich Ah Chung Tsoi Neurocomputing Research Centre Department of Electrical and Computer Engineering School of Computing Science Queensland University of Technology University of Queensland St Lucia, Queensland 4072, Australia Brisbane Q 400 1 Australia The introduction of specialized hardware platforms for connectionist modeling ("connectionist supercomputer") has created a number of research topics. Some of these issues are controversial, e.g. the efficient implementation of incremental learning techniques, the need for the dynamic reconfiguration of networks and possible programming environments for these machines. Joachim Diederich, Queensland University of Technology (Brisbane), started with a brief introduction to connectionist modeling and parallel machines. Neural network modeling can be done on various levels of abstraction. On a low level of abstraction, a simulator can support the definition and simulation of "compartmental models," chemical synapses, dendritic trees etc., i.e. explicit computational models of single neurons. These models have been built by use of SPICE (DC Berkeley) and Genesis (Caltech). On a higher level of abstraction, the Rochester Connectionist Simulator (RCS~ University of Rochester) and ICSIM (lCSI Berkeley) allow the definition of unit types and complex connectivity patterns. On a very high level of abstraction, simulators like tleam (UCSD) allow the easy realization of pre-defined network architectures (feedforward networks) and leaming algorithms such as backpropagation. Ben Gomes, International Computer Science Institute (Berkeley) introduced the Connectionist Supercomputer 1. The CNS-l is a multiprocessor system designed for moderate precision fixed point operations used extensively in connectionist network calculations. Custom VLSI digital processors employ an on-chip vector coprocessor unit tailored for neural network calculations and controlled by RISC scalar CPU. One processor and associated commercial DRAM comprise a node, which is connected in a mesh topology with other nodes to establish a MIMD array. One edge of the communications mesh is reserved for attaching various 110 devices, which connect via a custom network adaptor chip. The CNS-l operates as a compute server and one 110 port is used for connecting to a host workstation. Users with mainstream connectionist applications can use CNSim, an object-oriented, graphical high-level interface to the CNS-l environment. Those with more complicated applications can use one of several high-level programming languages (C. C++. 1178 Connectionist Modeling and Parallel Architectures Sather}, and access a complete set of hand-coded assembler subroutine libraries for connectionist applications. Simulation, debugging and profiling tools will be available to aid both types of users. Additional tools are available for the systems programmer to code at a low level for maximum perfonnance. Access to the 1I0-level processor and network functions are provided, along with the evaluation tools needed to complement the process. Urs Muller, Swiss Federal Institute of Technology (Zurich) introduced MUSIC: A high performance neural network simulation tool on a multiprocessor. MUSIC (Multiprocessor System with Intelligent Communication), a 64 processor system, runs backpropagation at a speed of 247 million connection updates per second using 32 bit floating-point precision. TIlUS the system reaches supercomputer speed (3.8 gflops peak), it still can be used as a personal desk-top computer at a researchers own disposal: The complete system consumes less than 800 Watt and fits into a 19 inch rack. Fin Martin, Intel Corporation, introduced INiI000," an REF processor which accepts 40,000 patterns per second. Input patterns of 256 dimensions by 5 bits are transferred from the host to the NilO00 and compared with the chip's "memory" of 1024 stored reference patterns, in parallel. A custom 16 bit on-chip microcontroller runs at 20 MIPS and controls all the programming and algorithm functions. RBF's are considered an advancement over traditional template matching algorithms and back propagation. Paul Murtagh and Ah Chung Tsoi, University of Queensland (St. Lucia) described a reconfigurable VLSI Systolic Array for artificial neural networks. After a brief review of some of the most common neural network architectures, e.g., multilayer perceptron, Hopfield net, Boltzmann machine, Ah Chung Tsoi showed that the training algorithms of these networks can be written in a unified manner. This unified training algoritlml is then shown to be implementable in a systolic array fashion. The individual processor can be designed accordingly. Each processor incorporates functionality reconfiguration to allow a number of neural network models to be implemented. The architecture also incorporates reconfiguration for fault tolerance and processor arrangement. Each processor occupies very little silicon area with 16 processors being able to fit onto a lOx 10 nm12 die. GUnther Palm and Franz Kurfess introduced "Neural Associative Memories." Despite having processing elements which are thousands of times faster than the neurons in the brain, modem computers still cannot match quite a few processing capabilities of the brain, many of which we even consider trivial (such as recognizing faces or voices, or following a conversation). A common principle for those capabilities lies in the use of correlations between patterns in order to identify patterns which are similar. Looking at the brain as an information processing mechanism with -probably among others -- associative processing capabilities together with the converse view of associative memories as certain types of artificial neural networks initiated a number of interesting results. These range from theoretical considerations to insights in the functioning of neurons, as well as parallel hardware implementations of neural associative memories. The talk discussed some implementation aspects and presented a few applications. Finally, Ernst Niebur, California Institute of Technology (pasadena) presented his work on biologically realistic modeling on SIMD machines (No abstract available). 1179
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Neurobiology, Psychophysics, and Computational Models of Visual Attention Ernst Niebur Computation and Neural Systems California Institute of Technology Pasadena, CA 91125, USA Bruno A. Olshausen Department of Anatomy and Neurobiology Washington University School of Medicine St. Louis, MO 63110 The purpose of this workshop was to discuss both recent experimental findings and computational models of the neurobiological implementation of selective attention. Recent experimental results were presented in two of the four presentations given (C.E. Connor, Washington University and B.C. Motter, SUNY and V.A. Medical Center, Syracuse), while the other two talks were devoted to computational models (E. Niebur, Caltech, and B. Olshausen, Washington University). Connor presented the results of an experiment in which the receptive field profiles of V 4 neurons were mapped during different states of attention in an awake, behaving monkey. The attentional focus was manipulated in this experiment by altering the position of a behaviorally relevant ring-shaped stimulus. The animal's task was to judge the size of the ring when compared to a reference ring (i.e., same or different). In order to map the receptive field profile, a behaviorally irrelevant bar stimulus was flashed at one of several positions inside and outside the classical receptive field (CRF). It was found that shifts of attention produced alterations in receptive field profiles for over half the cells studied. In most cases the receptive field center of gravity translated towards attentional foci in or near the CRF. Changes in width and shape of the receptive field profile were also observed, but responsive regions were not typically limited to the location of the attended ring stimulus. Attentionrelated effects often included enhanced responses at certain locations as well as diminished responses at other locations. Motter studied the basic mechanisms of visual search as manifested in the single unit activity of rhesus monkeys. The animals were trained to select a bar stimulus among others based on the color or luminance of the target stimulus. The majority of neurons were selectively activated when the color or luminance of the stimulus in the receptive field matched the color or luminance of the cue, whereas the activity was attenuated when there was no match. Since a cell responds differently to the same stimulus depending on the color or luminance of the cue (which is given far away from the stimulus by the color or luminance of the fixation spot), the activity of the neurons reflect a selection based on the cued feature and not simply the physical color or luminance of the receptive field stimulus. Motter showed that the 1167 1168 Niebur and Olshausen selection can also be based on memory by switching off the cue in the course of the experiment. The monkey could then perform the task only by relying on his memory and the pattern of V4 activity. In the memory-based task as well as in the experiments with the stimulus continuously present, the differential activation was independent of spatial location and offers therefore a physiological correlate to psychophysical studies suggesting that stimuli can be preferentially selected in parallel across the visual field. Niebur presented a model for the neuronal implementation of selective visual attention based on temporal correlation among groups of neurons. In the model, neurons in primary visual cortex respond to visual stimuli with a Poisson distributed spike train with an appropriate, stimulus-dependent mean firing rate. The spike trains of neurons whose receptive fields do not overlap with the "focus of attention" are distributed according to homogeneous (time-independent) Poisson process with no correlation between action potentials of different neurons. In contrast, spike trains of neurons with receptive fields within the focus of attention are distributed according to non-homogeneous (time-dependent) Poisson processes. Since the short-term average spike rates of all neurons with receptive fields in the focus of attention covary, correlations between these spike trains are introduced which are detected by inhibitory interneurons in V 4. These cells, modeled as modified integrate-and-fire neurons, function as coincidence detectors and suppress the response of V 4 cells associated with non-attended visual stimuli. The model reproduces quantitatively experimental data obtained in cortical area V4 of monkey. The model presented by Olshausen proposed that attentional gating takes place via an explicit control process, without relying on temporal correlation. This model is designed to serve as a possible explanation for how the visual cortex forms position and scale invariant representations of objects. Control neurons dynamically modify the synaptic strengths of intracortical connections so that information from a windowed region of primary visual cortex is selectively routed to higher cortical areas, preserving spatial relationships. The control signals for setting the position and size ofthe attentional window are hypothesized to originate from neurons in the pulvinar and in the deep layers of visual cortex. The dynamics of these control neurons are governed by simple differential equations that can be realized by neurobiologically plausible circuits. In pre-attentive mode, the control neurons receive their input from a low-level "saliency map" representing potentially interesting regions of a scene. During the pattern recognition phase, control neurons are driven by the interaction between top-down (memory) and bottom-up (retinal input) sources. The model predicts that the receptive fields of cortical neurons should shift with attention, as found in Connor's experiments, although the predicted shifts are somewhat larger than those found to date. Acknowledgement The work of EN and BAO was supported by the Office of Naval Research. EN was additionally supported by the National Science Foundation.
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72 ANALYSIS AND COMPARISON OF DIFFERENT LEARNING ALGORITHMS FOR PATTERN ASSOCIATION PROBLEMS J. Bernasconi Brown Boveri Research Center CH-S40S Baden, Switzerland ABSTRACT We investigate the behavior of different learning algorithms for networks of neuron-like units. As test cases we use simple pattern association problems, such as the XOR-problem and symmetry detection problems. The algorithms considered are either versions of the Boltzmann machine learning rule or based on the backpropagation of errors. We also propose and analyze a generalized delta rule for linear threshold units. We find that the performance of a given learning algorithm depends strongly on the type of units used. In particular, we observe that networks with ?1 units quite generally exhibit a significantly better learning behavior than the corresponding 0,1 versions. We also demonstrate that an adaption of the weight-structure to the symmetries of the problem can lead to a drastic increase in learning speed. INTRODUCTION In the past few years, a number of learning procedures for neural network models with hidden units have been proposed 1 ,2. They can all be considered as strategies to minimize a suitably chosen error measure. Most of these strategies represent local optimization procedures (e.g. gradient descent) and therefore suffer from all the problems with local m1n1ma or cycles. The corresponding learning rates, moreover, are usually very slow. The performance of a given learning scheme may depend criticallyon a number of parameters and implementation details. General analytical results concerning these dependences, however, are practically non-existent. As a first step, we have therefore attempted to study empirically the influence of some factors that could have a significant effect on the learning behavior of neural network systems. Our preliminary investigations are restricted to very small networks and to a few simple examples. Nevertheless, we have made some interesting observations which appear to be rather general and which can thus be expected to remain valid also for much larger and more complex systems. NEURAL NETWORK MODELS FOR PATTERN ASSOCIATION An artificial neural network consists of a set of interconnected units (formal neurons). The state of the i-th unit is described by a variable S. which can be discrete (e.g. S. = 0,1 or S. = ?1) or continuous (e.l. 0 < S. < 1 or -1 < S. < +ll, and each ~onnection j-7i carries a weight- W.1. which can be 1positive, zero, or negative. 1J ? American Institute of Physics 1988 73 The dynamics of the network is determined by a local update rule, S.(t+l) 1 = HIj W. . S . (t)) 1J (1) J where f is a nonlinear activation function, specifically a threshold function in the case of discrete units and a sigmoid-type function, e.g. (2) or (3) respectively, in the case of continuous units. The individual units can be given different thresholds by introducing an extra unit which always has a value of 1. If the network is supposed to perform a pattern association task, it is convenient to divide its units into input units, output units, and hidden units. Learning then consists in adjusting the weights in such a way that, for a given input pattern, the network relaxes (under the prescribed dynamics) to a state in which the output units represent the desired output pattern. Neural networks learn from examples (input/output pairs) which are presented many times, and a typical learning procedure can be viewed as a strategy to minimize a suitably defined error function F. In most cases, this strategy is a (stochastic) gradient descent method: To a clamped input pattern, randomly chosen from the learning examples, the network produces an output pattern {O . }. This is compared with the desired output, say {T . }, and the erfor F( {O. }, {T . }) is calculated . Subsequently, each 1weight is changed by ~an am~unt proportional to the respective gradient of F, b.W .. ~J of = -r} oW .. (4) ~J and the procedure is repeated for a new learning example until F is minimized to a satisfactory level. In our investigations, we shall consider two different types of learning schemes. The first is a deterministic version of the Boltzmann machine learning rule! and has been proposed by Yann Le Cun 2 ? It applies to networks with symmetric weights, W.. = W.. , so that an ~J J~ energy E(~) == - I W.. S. S . (i ,j) ~J ~ J (5) can be associated with each state S = {S.}. If X refers to the net1 work state when only the input units are clamped and Y to the state when both the input and output units are clamped, the error function 74 is defined as = E c:~) F - E QO (6) and the gradients are simply given by of- = Y. -oW. . 1 1J Y.J x. X. 1 J (7) The second scheme, called backpropagation or generalized delta rule 1 ,3, probably represents the most widely used learning algorithm. In its original form, it applies to networks with feedforward connections only, and it uses gradient descent to minimize the mean squared error of the output signal, F = -21 L. (T1 . -1 0.)2 (8) 1 For a weight W.. from an (input or hidden) unit j to an output unit i, we simply ha~ (9 ) where f' is the derivative of the nonlinear activation function introduced in Eq. (1), and for weights which do not connect to an output unit, the gradients can successively be determined by applying the chain rule of differentiation. In the case of discrete units, f is a threshold function, so that the backpropagation algorithm described above cannot be applied. We remark, however, that the perceptron learning rUle 4 , ~W .. 1J = ?(T.1 - O.)S. 1 J (10) is nothing else than Eq. (9) with f' replaced by a constant ?. Therefore, we propose that a generalized delta rule for linear threshold units can be obtained if f' is replaced by a constant ? in all the backpropagation expressions for of/oW ... This generalization of the perceptron rule is, of course, not u1dque. In layered networks, e.g., the value of the constant which replaces f' need not be the same for the different layers. ANALYSIS OF LEARNING ALGORITHMS The proposed learning algorithms suffer from all the problems of gradient descent on a complicated landscape. If we use small weight changes, learning becomes prohibitively slow, while large weight changes inevitably lead to oscillations which prevent the algorithm from converging to a good solution. The error surface, moreover, may contain many local minima, so that gradient descent is not guaranteed to find a global minimum. 75 There are several ways to improve a stochastic gradient descent procedure. The weight changes may, e.g., be accumulated over a number of learning examples before the weights are actually changed. Another often used method consists in smoothing the weight changes by overrelaxation, of ~W .. (k+1) = -~ ~W + a ~W .. (k) a .. 1J 1J 1J (11) where ~W .. (k) refers to the weight change after the presentation of the k-th 1 1earning example (or group of learning examples, respectively). The use of a weight decay term, ~W .. 1J of = -11 a~W .. 1J - BW .. 1J (12) prevents the algorithm from generating very large weights which may create such high barriers that a solution cannot be found in reasonable time. Such smoothing methods suppress the occurrence of oscillations, at least to a certain extent, and thus allow us to use higher learning rates. They cannot prevent, however, that the algorithm may become trapped in bad local minimum. An obvious way to deal with the problem of local minima is to restart the algorithm with different initial weights or, equivalently, to randomize the weights with a certain probability p during the learning procedure. More sophisticated approaches involve, e.g., the use of hill-climbing methods. The properties of the error-surface over the weight space not only depend on the choice of the error function F, but also on the network architecture, on the type of units used, and on possible restrictions concerning the values which the weights are allowed to assume. The performance of a learning algorithm thus depends on many factors and parameters. These dependences are conveniently analyzed in terms of the behavior of an appropriately defined learning curve. For our small examples, where the learning set always consists of all input/output cases, we have chosen to represent the performance of a learning procedure by the fraction of networks that are "perfect" after the presentation of N input patterns. (Perfect networks are networks which for every input pattern produce the correct output). Such learning curves give us much more detailed information about the behavior of the system than, e. g., averaged quantities like the mean learning time. RESULTS In the following, we shall present and discuss some representative results of our empirical study. All learning curves refer to a set of 100 networks that have been exposed to the same learning procedure, where we have varied the initial weights, or the sequence 76 of learning examples, or both. With one exception (Figure 4), the sequences of learning examples are always random. A prototype pattern association problem is the exclusive-or (XOR) problem. Corresponding networks have two input units and one output unit. Let us first consider an XOR-network with only one hidden unit, but in which the input units also have direct connections to the output unit. The weights are symmetric, and we use the deterministic version of the Boltzmann learning rule (see Eqs. (5) to (7)). Figure 1 shows results for the case of tabula rasa initial conditions, i.e. the initial weights are all set equal to zero. If the weights are changed after every learning example, about 2/3 of the networks learn the problem with less than 25 presentations per pattern (which corresponds to a total number of 4 x 25 = 100 presentations). The remaining networks (about 1/3), however, never learn to solve the XOR-problem, no matter how many input/output cases are presented. This can be understood by analyzing the corresponding evolution-tree in weight-space which contains an attractor consisting of 14 "non-perfect" weight-configurations. The probability to become trapped by this attractor is exactly 1/3. If the weight changes are accumulated over 4 learning examples, no such attractor 100 en ~ a:: 80 I .-w z .-u 60 ??? ? ?000? I- - ? ?? ? ? - w a:: 40 Q. 20 ..... lL. i ij 0 0 0 0 0 0 0 0 0 ? ? ? ? ? ? ? ? ? 0 - 00 0 00 - 00 0 W ~ I I - 0 ~ I 0 0 - ?0 0 ~ 0 .o.~. 0 I I I I 20 40 60 80 100 #: PRESENTATIONS /PATTERN Fig. 1. Learning curves for an XOR-network with one hidden unit (deterministic Boltzmann learning, discrete ?I units, initial weights zero). Full circles: weights changed after every learning example; open circles: weight changes accumulated over 4 learning examples. 77 seems to exist (see Fig. 1), but for some networks learning at least takes an extremely long time . The same saturation effect is observed with random initial weights (uniformly distributed between -1 and +1), see Fig. 2. Figure 2 also exhibits the difference in learning behavior between networks with ?1 units and such with 0,1 units. In both cases, weight randomization leads to a considerably improved learning behavior. A weight decay term, by the way, has the same effect. The most striking observation, however, is that ?1 networks learn much faster than 0,1 networks (the respective average learning times differ by about a factor of 5). In this connection, we should mention that ~ = 0.1 is about optimal for 0,1 units and that for ?1 networks the learning behavior is practically independent of the value of ~. It therefore seems that ?1 units lead to a much more well-behaved error-surface than 0,1 units. One can argue, of course, that a discrete 0,1 model can always be translated into a ?1 model, but this would lead to an energy function which has a considerably more complicated weight dependence than Eq. (5). 100 en ~ a::: 80 0 3: ....w z 60 .... u w lL. 40 a::: w a.. ~ 0 20 0 2 5 # 10 20 50 100 200 1000 PRESENTATIONS / PATTERN Fig. 2. Learning curves for an XOR-network with one hidden unit (deterministic Boltzmann learning, initial weights random, weight changes accumulated over 5 learning examples). Circles: discrete ?1 units, ~ = 1; triangles: discrete 0,1 units, ~ = 0.1; broken curves: without weight randomization; solid curves: with weight randomization (p 0.025). = 78 Figures 3 and 4 refer to a feedforward XOR-network with 3 hidden units, and to backpropagation or generalized delta rule learning. In all cases we have included an overrelaxation (or momentum) term with a 0.9 (see Eq. (11?. For the networks with continuous units we have used the activation functions given by Eqs. (2) and (3), respectively, and a network was considered "perfect" if for all input/output cases the error was smaller than 0.1 in the 0,1 case, or smaller than 0.2 in the ?1 case, respectively. In Figure 3, the weights have been changed after every learning example, and all curves refer to an optimal choice of the only remaining parameter, ?. or ", respectively. For discrete as well as for continuous units, the ?1 networks again perform much better than their 0,1 counterparts. In the continuous case, the average learning times differ by about a factor of 7, and in the discrete case the discrepancy is even more pronounced. In addition, we observe that in ?1 networks learning with the generalized delta rule for discrete units is about twice as fast as with the backpropagation algorithm for continuous units. = 100~--~--~----~----~~~~--~--~ en ~ a:: 80 0 ~ I- w 60 Z I0 w a:: w a. lL. ~ 40 20 0 O~----~--~------~----~----~~~~--~ 10 5 20 50 100 200 500 1000 :# PRESENTATIONS / PATTERN Fig. 3. Learning curves for an XOR-network with three hidden units (backpropagation/generalized delta rule, initial weights random, weights changed after every learning example). Open circles: discrete ?1 units, ?. = 0.05; open triangles: discrete 0,1 units, ?. = 0.025; full circles: continuous ?1 units, " 0.125; full triangles; continuous 0,1 units, " 0.25. = = 79 In Figure 4, the weight changes are accumulated over all 4 input/output cases, and only networks with continuous units are considered. Also in this case, the ?1 units lead to an improved learning behavior (the optimal Il-values are about 2.5 and 5.0, respectively). They not only lead to significantly smaller learning times, but ?1 networks also appear to be less sensitive with respect to a variation of 11 than the corresponding 0,1 versions. The better performance of the ?1 models with continuous units can partly be attributed to the steeper slope of the chosen activation function, Eq. (3). A comparison with activation functions that have the same slope, however, shows that the networks with ?1 units still perform significantly better than those with 0,1 units. If the weights are updated after every learning example, e.g., the reduction in learning time remains as large as a factor of 5. In the case of backpropagation learning, the main reason for the better performance of ?1 units thus seems to be related to the fact that the algorithm does not modify weights which emerge from a unit with value zero. Similar observations have been made by Stornetta and Huberman,s who further find that the discrepancies become even more pronounced if the network size is increased. 100 "1 CI) ~ a: =5.0 80 0 ~ I- w z 60 I- u w lL. 40 a: w a.. ~ 0 20 0 0 50 # 100 150 200 250 PRESENTATIONS I PATTERN Fig. 4. Learning curves for an XOR-network with three hidden units (backpropagation, initial weights random, weight changes accumulated over all 4 input/output cases). Circles: continuous ?1 units; triangles: continuous 0,1 units. 80 In Figure 5, finally, we present results for a network that learns to detect mirror symmetry in the input pattern. The network consists of one output, one hidden, and four input units which are ' also directly connected to the output unit. We use the deterministic version of Boltzmann learning and change the weights after every presentation of a learning pattern . If the weights are allowed to assume arbitrary values, learning is rather slow and on average requires almost 700 presentations per pattern. We have observed, however, that the algorithm preferably seems to converge to solutions in which geometrically symmetric weights are opposite in sign and almost equal in magnitude (see also Ref. 3). This means that the symmetric input patterns are automatically treated as equivalent, as their net input to the hidden as well as to the output unit is zero. We have therefore investigated what happens if the weights are forced to be antisymmetric from the beginning. (The learning procedure, of course, has to be adjusted such that it preserves this antisymmetry). Figure 5 shows that such a problem-adapted weightstructure leads to a dramatic decrease in learning time. 100 en ~ ? ?? ? ? ?? ? 80 a:: 0 3: I- w z 60 (,) w a:: 0 0 0 0 0 0 ? ? ??? ? lLL. 0 0 40 lLI 0 0 0 0 a.. ~ 0 20 0 2 0 ? ?? 10 20 5 # 0 0 0 0 50 100 200 500 2000 PRESENTATIONS I PATTERN Fig. 5. Learning curves for a symmetry detection network with 4 input units and one hidden unit (deterministic Boltzmann learning, 11 1, discrete ?1 units, initial weights random, weights changed after every learning example). Full circles: symmetry-adapted weights; open circles: arbitrary weights, weight randomization (p 0.015). = = 81 CONCLUSIONS The main results of our empirical study can be summarized as follows: - Networks with ?1 units quite generally exhibit a significantly faster learning than the corresponding 0,1 versions. - In addition, ?1 networks are often less sensitive to parameter variations than 0,1 networks. - An adaptation of the weight-structure to the symmetries of the problem can lead to a drastic improvement of the learning behavior. Our qualitative interpretations seem to indicate that the observed effects should not be restricted to the small examples considered in this paper. It would be very valuable, however, to have corresponding analytical results. REFERENCES 1. "Parallel Distributed Processing: Explorations in the Microstructure of Cognition", vol. 1: "Foundations", ed. by D.E. Rumelhart and J.L. McClelland (MIT Press, Cambridge), 1986, Chapters 7 & 8. 2. Y. Ie Cun, in "Disordered Systems and Biological Organization", ed . by E. Bienenstock, F. Fogelman Soulie, and G. Weisbuch (Springer, Berlin), 1986, pp. 233-240. 3. D.E. Rumelhart, G.E. Hinton, and R.J. Williams, Nature 323, 533 (1986). 4. M.L. Minsky and S. Papert, "Perceptrons" (MIT Press, Cambridge), 1969. 5. W.S. Stornetta and B.A. Huberman, IEEE Conference on "Neural Networks", San Diego, California, 21-24 June 1987.
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A Computational Model for Cursive Handwriting Based on the Minimization Principle Yasuhiro Wada * Yasuharu Koike Eric Vatikiotis-Bateson Mitsuo Kawato ATR Human Infonnation Processing Research Laboratories 2-2 Hikaridai, Seika-cho, Soraku-gun, Kyoto 619-02, Japan ABSTRACT We propose a trajectory planning and control theory for continuous movements such as connected cursive handwriting and continuous natural speech. Its hardware is based on our previously proposed forward-inverse-relaxation neural network (Wada & Kawato, 1993). Computationally, its optimization principle is the minimum torquechange criterion. Regarding the representation level, hard constraints satisfied by a trajectory are represented as a set of via-points extracted from a handwritten character. Accordingly, we propose a via-point estimation algorithm that estimates via-points by repeating the trajectory formation of a character and the via-point extraction from the character. In experiments, good quantitative agreement is found between human handwriting data and the trajectories generated by the theory. Finally, we propose a recognition schema based on the movement generation. We show a result in which the recognition schema is applied to the handwritten character recognition and can be extended to the phoneme timing estimation of natural speech. 1 INTRODUCTION In reaching movements, trajectory formation is an ill-posed problem because the hand can move along an infinite number of possible trajectories from the starting to the target point. However, humans move an arm between two targets along consistent one of an >II Present Address: Systems Lab., Kawasaki Steel Corporation, Makuhari Techno Garden, 1-3.Nakase, Mihama-ku, Chiba 261, Japan 727 728 Wada, Koike, Vatikiotis-Bateson, and Kawato infinite number of trajectories. Therefore, the brain should be able to compute a unique solution by imposing an appropriate criterion to the ill-posed problem. Especially, a smoothness performance index was intensively studied in this context. Flash & Hogan (1985) proposed a mathematical model, the minimum-jerk model. Their model is based on the kinematics of movement, independent of the dynamics of the musculoskeletal system. On the other hand, based on the idea that the objective function must be related to dynamics, Uno, Kawato & Suzuki (1989) proposed the minimum torque-change criterion which accounts for the desired trajectory determination. The criterion is based on the theory that the trajectory of the human arm is determined so as to minimize the time integral of the square of the rate of torque change. They proposed the following quadratic measure of performance. Where -r j is the torque generated by the jth actuator of M actuators, and ljis the movement time. CT = 0)2 dt rJo L( -d-r' dt " M (1) j=l Handwriting production is an attractive subject in human motor control studies. In cursive handwriting, a symbol must be transformed into a motor command stream. This transformation process raises several questions. How can the central nervous system (eNS) represent a character symbol for producing a handwritten letter? By what principle can motor planning be made or a motor command be produced? In this paper we propose a handwriting model whose computational theory and representation are the same as the model in reaching movements. Our proposed computational model for cursive handwriting is assumed to generate a trajectory that passes through many via-points. The computational theory is based on the minimum torque-change criterion, and a representation of a character is assumed to be expressed as a set of via-points extracted from a handwritten character. In reaching movement, the boundary condition is given by the visual information, such as the location of a cup, and the trajectory formation is based on the minimum torque-change criterion, which is completely the same as the model of handwriting (Fig. 1). However, it is quite difficult to determine the via-points in order to reproduce a cursive handwritten character. We propose an algorithm that can determine the via-points of the handwritten character, based only on the same minimization principle and which does not use any other ad hoc information such as zero-crossing velocity (Hollerbach, 1981). Reaching (reach to the object) Representation Computational n================nTheory Location .of the object Handwriting - . (write a character) t Visual Information Via-Point (representation of character) Via-poitt Estimation Algorithm Hardware l-, : '!H;11~ ~ ... r- -~-~--0r;1::""=""'=~="":"'~" - jk l~t~C( .. Figure 1: A handwriting model. A Computational Model for Cursive Handwriting Based on the Minimization Principle 2 PREVIOUS WORK ON THE HANDWRITING MODEL Several handwriting models (Hollerbach, 1981; Morasso & Mussa-Ivaldi, 1982; Edleman & Flash, 1987) have been proposed. Hollerbach proposed a handwriting model based on oscillation theory. The model basically used a vertical oscillator and a horizontal oscillator. Morasso & Mussa-Ivaldi proposed a trajectory formation model using a spline function, and realized a handwritten character using the formation model. Edleman & Flash (1987) proposed a handwriting model based on snap (fourth derivative of position) minimization. The representation of a character was four basic strokes and a handwritten character was regenerated by a combination of several strokes. However, their model was different from their theory for reaching movement. Flash & Hogan (1985) have proposed the minimum jerk criterion in the reaching movement. 3 A HANDWRITING MODEL 3.1 Trajectory formation neural network: Forward-Inverse Relaxation Model (FIRM) First, we explain the trajectory formation neural network. Because the dynamics of the human arm are nonlinear, finding a unique trajectory based on the minimum torquechange criterion is a nonlinear optimization problem. Moreover, it is rather difficult. There are several criticisms of previous proposed neural networks based on the minimum torque-change criterion: (1) their spatial representation of time, (2) back propagation is essential, and (3) much time is required. Therefore, we have proposed a new neural network, FIRM(Forward-Inverse Relaxation Model) for trajectory formation (Wada & Kawato, 1993). This network can be implemented as a biologically plausible neural network and resolve the above criticisms. 3.2 Via-point estimation model Edelman & Flash (1987) have pointed out the difficulty of finding the via-points in a handwritten character. They have argued two points: (1) the number of via-points, (2) a reason for the choice of every via-point locus. It is clear in approximation theory that a character can be regenerated perfectly if the number of extracted via-pOints is large. Appropriate via-points can not be assigned according to a regular sampling rule if the sample duration is constant and long. Therefore, there is an infinite number of combinations of numbers and via-point positions in the problem of extracting via-points from a given trajectory, and a unique solution can not be found if a trajectory reformation theory is not identified. That is, it is an ill-posed problem. The algorithm for assigning the via-points finds the via-points by iteratively activating both the trajectory formation module (FIRM) and the via-point extraction module (Fig. 2). The trajectory formation module generates a trajectory based on the minimum torquechange criterion using the via-points which are extracted by the via-point extraction module. The via-point extraction module assigns the via-points so as to minimize the square error between the given trajectory and the trajectory generated by the trajectory formation module. The via-point extraction algorithm will stop when the error between the given trajectory and the trajectory generated from the extracted via-points reaches a threshold. 729 730 Wada, Koike, Vatikiotis-Bateson, and Kawato Via-Points Extraction Module Minimum TorqueChange Trajectory f'IM o j~l((J1.(I) -9~ta(t)5dl - - . . Min Via-points assignment to decrease the above trajectory error --.... ..- Via-Point Information (Position . Time) Trajectory Formation Module (FIRM) f'r~ o (~y<h dI j=1 ? Min Trajectory generation based on minimum torquechange criterion Figure 2: Via-point estimation model. 9~ta(t) is the given trajectory of the j-th joint angle and ei (I) represents the generated trajectory. 3.2.1 Algorithm of via-point extraction There are a via-point extraction procedure and a trajectory production procedure in the via-point extraction module. and they are iteratively computed. Trajectory production in the module is based on the minimum-jerk model (Flash & Hogan 1985) on a joint angle space. which is equivalent to the minimum torque-change model when arm dynamics are approximated as in the following dynamic equation: ",i = [i Oi (j= 1..... M) (2) where Ii and iji are the inertia of the link and the acceleration of the j-th joint angle. respectively. The algorithm for via-point extraction is illustrated in Fig. 3. The procedural sequence is as follows: (Step 1) A trajectory between a starting point and a final point is generated by using the minimum torque-change principle of the linear dynamics model. (Step 2) The point with the maximum square error value between the given trajectory and the generated trajectory is selected as a via-point candidate. (Step 3) If the maximum value of the square error is less than the preassigned threshold. the procedure described above is finished. If the maximum value of the square error is greater than the threshold. the via-point candidate is assigned as via-point i and a trajectory is generated from the starting point through the via-point i to the final point. This generated trajectory is added to the trajectory that has already been generated. The time of the start point of the generated trajectory is a via-point located just before the assigned via-point i. and the time of the final point of the generated trajectory is a viapoint located just after the assigned via-point i. The position error of the start point and the final point equal O. since the compensation for the error has already been made. Thus, the boundary conditions of the generated trajectory at the start and final point become O. The velocity and acceleration constraints at the start and final point are set to O. (Step 4) By repeating Steps 2 and 3, a set of via-points is found. The j-th actuator velocity constraint 9!ia and acceleration constraint O!ia at the via-point i are set by minimizing the following equation. J(8!ia,O~a) [p{ J,r:!" (lP)2 dt + J,r:}... (8'i)2 dt} ~ Min = O (3) A Computational Model for Cursive Handwriting Based on the Minimization Principle I Step 3 1 ~Ory time .. by Step3 Figure 3: An algorithm for extracting via-points. Finally, the via-points are fed to the FIRM, and the minimum torque change trajectory is produced. This trajectory and the given trajectory are then compared again. If the value of the square error does not reach the threshold, the procedure above is repeated. It can be mathematically shown that a given trajectory is perfectly approximated with this method (completeness), and furthermore that the number of extracted via-points for a threshold is the minimum (optimality). (Wada & Kawato, 1994) 4 PERFORMANCE OF THE VIA-POINT ESTIMATION MODEL 4.1 Performance of single via-point movement First, we examine the performance of our proposed via-point estimation model. A result of via-point estimation in a movement with a via-point is shown in Fig 4. Two movements (T3-PI-T5 and T3-P2-T5) are examined. The white circle and the solid lines show the target points and measured trajectories, respectively. PI and P2 show target via-points. The black circle shows the via-points estimated by the algorithm. The estimated via-points were close to the target via-points. Thus, our proposed via-point estimation algorithm can find a via-point on the given trajectory. 0.65 0.60 ? Estimated Via-Point 0 TargetPoint 0 PI 0.55 T5 ]: 0.50 >0 0.45 0.40 0.35 0 .30 '--.-----,..--...,....-~---r--r-__.-0.3 -0.2 -0.1 0.0 0.1 0.2 0.3 X[m] Figure 4: A result of via-point estimation in a movement with a via-point. 4.2 Performance of the handwriting model Fig. 5 shows the case of cursive connected handwritten characters. The handwriting model can generate trajectories and velocity curves of cursive handwritten characters that are almost identical to human data. The estimated via-points are classified into two groups. The via-points in one group are extracted near the minimum points of the 731 732 Wada, Koike, Vatikiotis-Bateson, and Kawato 0.$2 ? Eatimar.cd Via-Point ????? Trajeclary by IIICIdoI ~.10 0.00 0.10 X(ID) (a) (b) Figure 5: Estimated via-points in cursive handwriting. (a) and (b) show the trajectory and tangential velocity profile, respectively. The via-point estimation algorithm extracts a viapoint (segmentation point) between characters. velocity profile. The via-points of the other group are assigned to positions that are independent of the above points. Generally, the minimums of the velocity are considered to be the feature points of the movement. However, we confirmed that a given trajectory can not be reproduced by using only the first group of via-points. This finding shows that the second group of via-points is important. Our proposed algorithm based on the minimization principle can estimate points that can not be selected by any kinematic criterion. Funhermore, it is important in handwritten character recognition that the viapoint estimation algorithm extracts via-points between characters, that is, their segmentation points. 5 FROM FORMATION TO RECOGNITION 5.1 A recognition model Next, we propose a recognition system using the trajectory formation model and the viapoint estimation model. There are several reports in the literature of psychology which suggest that the formation process is related to the recognition process. (Liberman & Mattingly, 1985; Freyd, 1983) Here, we present a pattern recognition model that strongly depends on the handwriting model and the via-point estimation model (Fig.6). (1) The features of the handwritten character are extracted by the via-point estimation algorithm. (2) Some of via-points are segmented and normalized in space and time. Then, (3) a trajectory is regenerated by using the normalized via-points. (4) A symbol is identified by comparing the regenerated trajectory with the template trajectory. .... QJ ~ E ''= ~ -E .5.: o.~ c..""" IQ .!~ ;> Recognizer ~ (Reformation & Comparison) ~Ymb' Figure 6: Movement pattern recognition using extracted via-points obtained through movement pattern generator A Computational Model for Cursive Handwriting Based on the Minimization Principle rItwz- 1 :BAD : (0,17) (18,35) (36,52) 2 :BAD : (0,18) (18,35) (36,52) 3 :BAD : (0,17) (18,35) (35,52) 1 :DEAR : (0,8) (9,18) (19,31) (30,51) 2 :DEAR : (0,8) (9,18) (19,31) (30,50) 3 :DEAR : (0,8) (9,18) (19,30) (30,51) Figure 7: Results of character recognition 5.2 Performance of the character recognition model Fig. 7 shows a result of character recognition. The right-hand side shows the recognition results for the left-hand side. The best three candidates for recognition are listed. Numerals in parentheses show the number of starting via-points and the final via-point for the recognized character. 5.3 Performance of the estimation of timing of phonemes in real speech Fig. 8 shows the acoustic waveform, the spectrogram, and the articulation movement when the sentence" Sam sat on top of the potato cooker... " is spoken. The phonemes are identified, and the vertical lines denote phoneme midpoints. White circles show the viapoints estimated by our proposed algorithm. Rather good agreement is found between the estimated via-points and the phonemes. From this experiment, we can point out two important possibilities for the estimation model of phoneme timing. The first possibility concerns speech recognition, and the second concerns speech data compression. It seems possible to extend the via-point estimation algorithm to speech recognition if a mapping from acoustic to articulator motion is identified (Shirai & Kobayashi, 1991, Papcun et al., 1992). Furthermore, with training of a forward mapping from articulator motion to acoustic data (Hirayama et al., 1993), the via-point estimation model can be used for speech data compression. 6 SUMMARY We have proposed a new handwriting model. In experiments, good qualitative and quantitative agreement is found between human handwriting data and the trajectories generated by the model. Our model is unique in that the same optimization principle and hard constraints used for reaching are also used for cursive handwriting. Also, as opposed to previous handwriting models, determination of via-points is based on the optimization principle and does not use a priori knowledge. We have demonstrated two areas of recognition, connected cursive handwritten character recognition and the estimation of phoneme timing. We incorporated the formation model into the recognition model and realized the recognition model suggested by Freyd (1983) and Liberman and Mattingly(1985). The most important point shown by the models is that the human recognition process can be realized by specifying the human formation process. REFERENCES S. Edelman & T. Flash (1987) A Model of Handwriting. Bioi. Cybern. ,57,25-36. 733 734 Wada, Koike, Vatikiotis-Bateson, and Kawato ... n.~"'~fl> cooker... Figure 8: Estimation result of phoneme time. Temporal acoustics and vertical positions of the tongue blade (TBY),tongue tip (TTY), jaw (lY), and lower lip (LLY) are shown with overlaid via-point trajectories. Vertical lines correspond to acoustic segment centers; 0 denotes via-points. T. Flash, & N. Hogan (1985) The coordination of arm movements; An experimentally confirmed mathematical model. Journal of Neuroscience, 5, 1688-1703. J. J. Freyd (1983) Representing the dynamics of a static fonn. Memory & Cognition, 11, 342-346. M. Hirayama, E. Vatikiotis-Bateson, K. Honda, Y. Koike, & M. Kawato (1993) Physiologically based speech synthesis. In Giles, C. L., Hanson, S. J., and Cowan, J. D. (eds) Advances in Neural Information Processing Systems 5,658-665. San Mateo, CA: Morgan Kaufmann Publishers. 1. M. Hollerbach (1981) An oscillation theory of handwriting. Bioi. Cybern., 39,139-156. A. M. Liberman & 1. G. Mattingly (1985) The motor theory of speech perception revised. Cognition, 21, 1-36. P. Morasso, & F. A. Mussa-Ivaldi (1982) Trajectory formation and handwriting: A computational model. Bioi. Cybern. ,45, 131-142. J. Papcun, J. Hochberg, T. R. Thomas, T. Laroche, J. Zacks, & S. Levy (1992) Inferring articulation and recognition gestures from acoustics with a neural network trained on xray microbeam data. Journal of Acoustical Society of America, 92 (2) Pt. 1. K. Shirai, & T. Kobayashi (1991) Estimation of articulatory motion using neural networks. Journal of Phonetics, 19, 379-385. Y. Uno, M. Kawato, & R. Suzuki (1989) Formation and control of optimal trajectory in human arm movement - minimum torque-change model. BioI. Cybern. 61, 89-101. Y. Wada, & M. Kawato (1993) A neural network model for arm trajectory formation using forward and inverse dynamics models. Neural Networks, 6(7),919-932. Y. Wada, & M. Kawato (1994) Long version of this paper, in preparation. PART VI ApPLICATIONS
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Learning Classification with Unlabeled Data Virginia R. de Sa [email protected] Department of Computer Science University of Rochester Rochester, NY 14627 Abstract One of the advantages of supervised learning is that the final error metric is available during training. For classifiers, the algorithm can directly reduce the number of misclassifications on the training set. Unfortunately, when modeling human learning or constructing classifiers for autonomous robots, supervisory labels are often not available or too expensive. In this paper we show that we can substitute for the labels by making use of structure between the pattern distributions to different sensory modalities. We show that minimizing the disagreement between the outputs of networks processing patterns from these different modalities is a sensible approximation to minimizing the number of misclassifications in each modality, and leads to similar results. Using the Peterson-Barney vowel dataset we show that the algorithm performs well in finding appropriate placement for the codebook vectors particularly when the confuseable classes are different for the two modalities. 1 INTRODUCTION This paper addresses the question of how a human or autonomous robot can learn to classify new objects without experience with previous labeled examples. We represent objects with n-dimensional pattern vectors and consider piecewise-linear classifiers consisting of a collection of (labeled) codebook vectors in the space of the input patterns (See Figure 1). The classification boundaries are gi ven by the voronoi tessellation of the codebook vectors. Patterns are said to belong to the class (given by the label) of the codebook vector to which they are closest. 112 Learning Classification with Unlabeled Data ? 0 XB ? 0 o o o ? XB o Figure 1: A piecewise-linear classifier in a 2-Dimensional input space. The circles represent data samples from two classes (filled (A) and not filled (B)). The X's represent codebook vectors (They are labeled according to their class A and B). Future patterns are classified according to the label of the closest codebook vector. In [de Sa and Ballard, 1993] we showed that the supervised algorithm LVQ2.1[Kohonen, 1990] moves the codebook vectors to minimize the number of misclassified patterns. The power of this algorithm lies in the fact that it directly minimizes its final error measure (on the training set). The positions of the codebook vectors are placed not to approximate the probability distributions but to decrease the number of misclassifications . Unfortunately in many situations labeled training patterns are either unavailable or expensive. The classifier can not measure its classification performance while learning (and hence not directly maximize it). One such unsupervised algorithm, Competitive Learning[Grossberg, 1976; Kohonen, 1982; Rumelhart and Zipser, 1986], has unlabeled codebook vectors that move to minimize a measure of the reconstruction cost. Even with subsequent labeling of the codebook vectors, they are not well suited for classification because they have not been positioned to induce optimal borders. Supervised - implausible label Unsupervised -limited power "COW" Self-Supervised - derives label from a co-occuring input to another modality ~ Target \I ?? o ? O{}OO ~ O~ 0 000 000 o ? ?? O{}OO ~ o ?? ? O{}OO ~ 0 600 o ?? ? O{}OO Input 2 moo Figure 2: The idea behind the algorithm This paper presents a new measure for piecewise-linear classifiers receiving unlabeled patterns from two or more sensory modalities. Minimizing the new measure is an approximation to minimizing the number of misclassifications directly. It takes advantage of the structure available in natural environments which results in sensations to different sensory modalities (and sub-modalities) that are correlated. For example, hearing "mooing" and 113 114 de Sa p 0.5 0.4 0.3 p 0.5 1\ I \ 0.4 0.3 P(CB)P(,,*~) 0.2 I I I I \ \ \ \ Figure 3: This figure shows an example world as sensed by two different modalities. If modality A receives a pattern from its Class A distribution, modality 2 receives a pattern from its own class A distribution (and the same for Class B). Without receiving information about which class the patterns came from, they must try to determine appropriate placement of the boundaries b l and b2 ? P(C;) is the prior probability of Class i and p(xjIC;) is the conditional density of Class i for modality j seeing cows tend to occur together. So, although the sight of a cow does not come with an internal homuncular "cow" label it does co-occur with an instance of a "moo". The key is to process the "moo" sound to obtain a self-supervised label for the network processing the visual image of the cow and vice-versa. See Figure 2. 2 USING MULTI-MODALITY INFORMATION One way to make use of the cross-modality structure is to derive labels for the codebook vectors (after they have been positioned either by random initialization or an unsupervised algorithm). The labels can be learnt with a competitive learning algorithm using a network such as that shown in Figure 4. In this network the hidden layer competitive neurons represent the codebook vectors. Their weights from the input neurons represent their positions in the respective input spaces. Presentation of the paired patterns results in activation of the closest codebook vectors in each modality (and D's elsewhere). Co-occurring codebook vectors will then increase their weights to the same competitive output neuron. After several iterations the codebook vectors are given the (arbitrary) label of the output neuron to which they have the strongest weight. We will refer to this as the "labeling algorithm". 2.1 MINIMIZING DISAGREEMENT A more powerful use of the extra information is for better placement of the codebook vectors themselves. In [de Sa, 1994] we derive an algorithm that minimizes l the disagreement between the outputs of two modalities. The algorithm is originally derived not as a piecewise-linear classifier but as a method of moving boundaries for the case of two classes and an agent with two I-Dimensional sensing modalities as shown in Figure 3. Each class has a particular pro babili ty distri buti on for the sensation received by each modality. If modality 1 experiences a sensation from its pattern A distribution, modality 2 experiences a sensation from its own pattern A distribution. That is, the world presents patterns Ithe goal is actually to find a non-trivial local minimum (for details see [de Sa, 1994]) Learning Classification with Unlabeled Data Output (Class) 000 Hidden Layer Code book Vectors (W) Input (X) ModaiitylNetwork 1 ModalitylNetwork 2 Figure 4: This figure shows a network for learning the labels of the codebook vectors. The weight vectors of the hidden layer neurons represent the codebook vectors while the weight vectors of the connections from the hidden layer neuron!; to the output neurons represent the output class that each codebook vector currently represents. In this example there are 3 output classes and two modalities each of which has 2-D input patterns and 5 codebook vectors. from the 2-D joint distribution shown in Figure 5a) but each modality can only sample its 1-D marginal distribution (shown in Figure 3 and Figure 5a). We show [de Sa, 1994] that minimizing the disagreement error of patterns for which the two modalities output different labels E(b), b2) = Pr{x) < b) & X2 > bJ} the proportion of pairs + Pr{x) > b) & X2 < b2} (1) (2) (where f(x). X2) = P(CA)p(xtICA)P(X2ICA) + P(CB)p(x1ICB)p(x2ICB) is the joint probability density for the two modalities) in the above problem results in an algorithm that corresponds to the optimal supervised algorithm except that the "label" for each modality's pattern is the hypothesized output of the other modality. Consider the example illustrated in Figure 5. In the supervised case (Figure 5a?) the labels are given allowing sampling of the actual marginal distributions. For each modality, the number of misclassifications can be minimized by setting the boundaries for each modality at the crossing points of their marginal distributions. However in the self-supervised system, the labels are not available. Instead we are given the output of the other modality. Consider the system from the point of view of modality 2. Its patterns are labeled according to the outputs of modality 1. This labels the patterns in Class A as shown in Figure 5b). Thus from the actual Class A patterns, the second modality sees the "labeled" distributions shown. Letting a be the fraction of misclassified patterns from Class A, the resulting distributions are given by (1 - a)P(CA)P(X2ICA) and (a)P(CA)P(X2ICA). Similarly Figure 5c) shows the effect on the patterns in class B. Letting b be the fraction of Class B patterns misclassified, the distributions are given by (1 - b)P( CB)P(X2ICB) 115 116 de Sa and (b)P( CB)p(X2ICB). Combining the effects on both classes results in the "labeled" distributions shown in Figure 5d). The "apparent Class ~' distribution is given by (1 - a)P(CA)P(X2ICA) + (b)P(CB)p(X2ICB and the "apparent Class B" distribution by (a)P(CA)P(X2ICA) + (1-b)P(CB)p(x2ICB). Notice that even though the approximated distributions may be discrepant, if a:::: b, the crossing point will be close. Simultaneously the second modality is labeling the patterns to the first modality. At each iteration of the algorithm both borders move according to the samples from the "apparent" marginal distributions. - P(CA)p(x1ICA) - P(CB)p(x1ICB) - (a)P(CA}p(x2ICA) - (1-a)P(CA)p(x2ICA) a) Figure 5: This figure shows an example of the joint and marginal distributions (For better visualization the scale of the joint distribution is twice that of the marginal distributions) for the example problem introduced in Figure 3. The darker gray represents patterns labeled "N', while the lighter gray are labeled "B". The dark and light curves are the corresponding marginal distributions with bold and regular labels respectively. a) shows the labeling for the supervised case. b),c) and d) reflect the labels given by modality 1 and the corresponding marginal distributions seen by modality 2. See text for more details 2.2 Self-Supervised Piecewise-Linear Classifier The above ideas have been extended[de Sa, 1994] to rules for moving the codebook vectors in a piecewise-linear classifier. Codebook vectors are initially chosen randomly from the data patterns. In order to complete the algorithm idea, the codebook vectors need to be given initial labels (The derivation assumes that the current labels are correct). In LVQ2.1 Learning Classification with Unlabeled Data the initial codebook vectors are chosen from among the data patterns that are consistent with their neighbours (according to a k-nearest neighbour algorithm); their labels are then taken as the labels of the data patterns. In order to keep our algorithm unsupervised the "labeling algorithm" mentioned earlier is used to derive labels for the initial codebook vectors. Also due to the fact that the codebook vectors may cross borders or may not be accurately labeled in the initialization stage, they are updated throughout the algorithm by increasing the weight to the output class hypothesized by the other modality, from the neuron representing the closest codebook vector. The final algorithm is given in Figure 6 1. Randomly choose initial codebook vectors from data vectors 2. Initialize labels of codebook vectors using the labeling algorithm described in text 3 . Repeat for each presentation of input patterns XI(n) and X 2(n) to their respective modalities ? find the two nearest codebook vectors in modality 1 -- wl.i; , Wl.i;, and modality 2 -- W2,k;, W2,k; to the respective input patterns ? Find the hypothesized output class (CA , CB ) in each modality (as given by the label of the closest codebook vector) ? For each modality update the weights according to the following rules (Only the rules for modality 1 are given) If neither or both Wli', WI;' have the same label as w2,k' or XI(n) does , 1 ' 2 1 not lie within c(n) of the border between them no updates are done, otherwise *( 1) )(XI(n)-wv(n-l)) n+a(n IIX I (n)-wV(n-I)1I () wi,i' n =WI,i WIJ* (n) = wi/n - * (X I (n)-wIJ,(n-I)) 1) - a(n) IIXI (n) _ w~J(n -1)11 where WI ,i' is the codebook vector wi th the same label, and WIJ' is the codebook vector with another label. ? update the labeling weights Figure 6: The Self-Supervised piecewise-linear classifier algorithm 3 EXPERIMENTS The following experiments were all performed using the Peterson and Barney vowel formant data 2. The dataset consists of the first and second formants for ten vowels in a /h Vd/ context from 75 speakers (32 males, 28 females, 15 children) who repeated each vowel twice 3. To enable performance comparisons, each modality received patterns from the same dataset. This is because the final classification performance within a modality depends 20 btained from Steven Nowlan 33 speakers were missing one vowel and the raw data was linearly transformed to have zero mean and fall within the range [-3, 3] in both components 117 118 de Sa Table 1: Tabulation of performance figures (mean percent correct and sample standard deviation over 60 trials and 2 modalities). The heading i - j refers to performance measured after the lh step during the ilh iteration. (Note Step 1 is not repeated during the multi-iteration runs). same-paired vowels random pairing not only on the difficulty of the measured modality but also on that of the other "labeling" modality. Accuracy was measured individually (on the training set) for both modalities and averaged. These results were then averaged over 60 runs. The results described below are also tabulated in Table 1 In the first experiment, the classes were paired so that the modalities received patterns from the same vowel class. If modality 1 received an [a] vowel, so did modality 2 and likewise for all the vowel classes (i.e. p(xt!Cj ) = p(x2ICj) for all j). After the labeling algorithm stage, the accuracy was 60?5% as the initial random placement of the codebook vectors does not induce a good classifier. After application of the third step in Figure 6 (the minimizing-disagreement part of the algorithm) the accuracy was 75 ?4%. At this point the codebook vectors are much better suited to defining appropriate classification boundaries. It was discovered that all stages of the algorithm tended to produce better results on the runs that started with better random initial configurations. Thus, for each run, steps 2 and 3 were repeated with the final codebook vectors. Average performance improved (73?4% after step 2 and 76?4% after step 3). Steps 2 and 3 were repeated several more times with no further significant increase in performance. The power of using the cross-modality information to move the codebook vectors can be seen by comparing these results to those obtained with unsupervised competitive learning within modalities followed by an optimal supervised labeling algorithm which gave a performance of 72 %. One of the features of multi-modality information is that classes that are easily confuseable in one modality may be well separated in another. This should improve the performance of the algorithm as the "labeling" signal for separating the overlapping classes will be more reliable. In order to demonstrate this, more tests were conducted with random pairing of the vowels for each run. For example presentation of [a] vowels to one modality would be paired with presentation of [i] vowels to the other. That is p(xIICj ) = p(x2ICaj) for a random permutation aI, a2 .. alO. For the labeling stage the performance was as before (60 ? 4%) as the difficulty within each modality has not changed. However after the minimizingdisagreement algorithm the results were better as expected. After 1 and 2 iterations of the algorithm, 77 ? 3% and 79 ? 2% were classified correctly. These results are close to those obtained with the related supervised algorithm LVQ2.1 of 80%. 4 DISCUSSION In summary, appropriate classification borders can be learnt without an explicit external labeling or supervisory signal. For the particular vowel recognition problem, the performance of this "self-supervised" algorithm is almost as good as that achieved with super- Learning Classification with Unlabeled Data vised algorithms. This algorithm would be ideal for tasks in which signals for two or more modalities are available, but labels are either not available or expensive to obtain. One specific task is learning to classify speech sounds from images of the lips and the acoustic signal. Stork et. al. [1992] performed this task with a supervised algorithm but one of the main limitations for data collection was the manual labeling of the patterns [David Stork, personal communication, 1993]. This task also has the feature that the speech sounds that are confuseable are not confuseable visually and vice-versa [Stork et ai., 1992]. This complementarity helps the performance of this classifier as the other modality provides more reliable labeling where it is needed most. The algorithm could also be used for learning to classify signals to a single modality where the signal to the other "modality" is a temporally close sample. As the world changes slowly over time, signals close in time are likely from the same class. This approach should be more powerful than that of [FOldiak, 1991] as signals close in time need not be mapped to the same codebook vector but the closest codebook vector of the same class. Acknowledgements I would like to thank Steve Nowlan for making the vowel formant data available to me. Many thanks also to Dana Ballard, Geoff Hinton and Jeff Schneider for their helpful conversations and suggestions. A preliminary version of parts of this work appears in greater depth in [de Sa, 1994]. References [de Sa, 1994] Virginia R. de Sa, "Minimizing disagreement for self-supervised classification," In M.C. Mozer, P. Smolensky, D.S. Touretzky, J.L. Elman, and A.S. Weigend, editors, Proceedings of the 1993 Connectionist Models Summer School, pages 300-307. Erlbaum Associates, 1994. [de Sa and Ballard, 1993] Virginia R. de Sa and Dana H. Ballard, "a note on learning vector quantization," In c.L. Giles, SJ.Hanson, and J.D. Cowan, editors, Advances in Neural Information Processing Systems 5, pages 220-227. Morgan Kaufmann, 1993. [Foldiak, 1991] Peter FOldiak, "Learning Invariance from Transformation Sequences," Neural Computation, 3(2):194-200, 1991. [Grossberg, 1976] Stephen Grossberg, "Adaptive Pattern Classification and Universal Recoding: I. Parallel Development and Coding of Neural Feature Detectors," Biological Cybernetics, 23: 121134, 1976. [Kohonen, 1982] Teuvo Kohonen, "Self-Organized Formation of Topologically Correct Feature Maps," Biological Cybernetics, 43:59-69, 1982. [Kohonen, 1990] Teuvo Kohonen, "Improved Versions of Learning Vector Quantization," In IJCNN International Joint Conference on Neural Networks, volume 1, pages 1-545-1-550, 1990. [Rumelhart and Zipser, 1986] D. E. Rumelhart and D. Zipser, "Feature Discovery by Competitive Learning," In David E. Rumelhart, James L. McClelland, and the PDP Research Group, editors, Parallel Distributed Processing: Explorations in the Microstructure of Cognition, volume 2, pages 151-193. MIT Press, 1986. [Stork et at., 1992] David G. Stork, Greg Wolff, and Earl Levine, "Neural network lipreading system for improved speech recognition," In IJCNN International Joint Conference on Neural Networks, volume 2, pages 11-286-11-295, 1992. 119
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Classifying Hand Gestures with a View-based Distributed Representation Trevor J. Darrell Perceptual Computing Group MIT Media Lab Alex P. Pentland Perceptual Computing Group MIT Media Lab Abstract We present a method for learning, tracking, and recognizing human hand gestures recorded by a conventional CCD camera without any special gloves or other sensors. A view-based representation is used to model aspects of the hand relevant to the trained gestures, and is found using an unsupervised clustering technique. We use normalized correlation networks, with dynamic time warping in the temporal domain, as a distance function for unsupervised clustering. Views are computed separably for space and time dimensions; the distributed response of the combination of these units characterizes the input data with a low dimensional representation. A supervised classification stage uses labeled outputs of the spatio-temporal units as training data. Our system can correctly classify gestures in real time with a low-cost image processing accelerator. 1 INTRODUCTION Gesture recognition is an important aspect of human interaction, either interpersonally or in the context of man-machine interfaces. In general, there are many facets to the "gesture recognition" problem. Gestures can be made by hands, faces, or one's entire body; they can be static or dynamic, person-specific or cross-cultural. Here we focus on a subset of the general task, and develop a method for interpreting dynamic hand gestures generated by a specific user. We pose the problem as one of spotting instances of a set of known (previously trained) gestures. In this context, a gesture can be thought of as a set of hand views observed over time, or simply as a sequence of images of hands over time. These images may occur at different temporal rates, and the hand may have different spatial 945 946 Darrell and Pentland offset or gross illumination condition. We would like to achieve real- or near real-time performance with our system, so that it can be used interactively by users. To achieve this level of performance, we take advantage of the principle of using only as much "representation" as needed to perform the task. Hands are complex, 3D articulated structures, whose kinematics and dynamics are difficult to fully model. Instead of performing explicit model-based reconstruction, and attempting to extract these 3D model parameters (for example see [4, 5, 6]), we use a simpler approach which uses a set of 2D views to represent the object. Using this approach we can perform recognition on objects which are either too difficult to model or for which a model recovery method is not feasible. As we shall see below, the view-based approach affords several advantages, such as the ability to form a sparse representation that only models the poses of the hands that are relevant to the desired recognition tasks, and the ability to learn the relevant model directly from the data using unsupervised clustering. 2 VIEW-BASED REPRESENTATION Our task is to recognize spatio-temporal sequences of hand images. To reduce the dimensionality of the matching involved, we find a set of view images and a matching function such that the set of match scores of a new image with the view images is adequate for recognition. The matching function we use is the normalized correlation between the image and the set of learned spatial views. Each view represents a different pose of the object being tracked or recognized. We construct a set of views that "spans" the set of images seen in the training sequences, in the sense that at least one view matches every frame in the sequence (given a distance metric and threshold value). We can then use the view with the maximum score (minimum distance) to localize the position of the object during gesture performance, and use the ensemble response of the view units (at the location of maximal response) to characterize the actual pose of the object. Each model is based on one or more example images of a view of an object, from which mean and variance statistics about each pixel in the view are computed. The general idea of view-based representation has been advocated by Ullman [12] and Poggio [9] for representing 3-D objects by interpolating between a small set of 2-D views. Recognition using views was analyzed by Breuel, who established bounds on the number of views needed for a given error rate [3]. However the view-based models used in these approaches rely on a feature-based representation of an image, in which a "view" is the list of vertex locations of semantically relevant features. The automatic extraction of these features is not a fully solved problem. (See [2] for a nearly automated system of finding corresponding points and extracting views.) Most similar to our work is that of Murase and Nayar[8] and Turk[11] which use loworder eigenvectors to reduce the dimensionality of the signal and perform recognition. Our work differs from theirs in that we use normalized-correlation model images instead of eigenfunctions and can thus localize the hand position more directly, and we extend into the temporal domain, recognizing image sequences of gestures rather than static poses. A particular view model will have a range of parameter values of a given transformation (e.g., rotation, scale, articulation) for which the correlation score shows a roughly convex "tuning curve". If we have a set of view models which sample the transformation parameter Classifying Hand Gestures with a View-Based Distributed Representation (a) -"- ~ _00 (b) (c) <> ... ..0 . . '" :ao ,.... ~ -s=-==== )~!l _ ~ (d) Figure 1: (a) Three views of an eyeball: +30, O. and -30 of gaze angle. (a) Normalized correlation scores of the +30 degree view model when tracking a eyeball rotating from approximately -30 to +30 degrees of gaze angle. (b) Score for 0 degree view model. (c) Score for - 30 degree model. finely enough, it is possible to infer the actual transform parameters for new views by examining the set of model correlation scores. For example, Figure la shows three views of an eyeball that could be used for gaze tracking; one looking 30 degrees left, one looking center-on, and one looking 30 degrees to the right. The three views span a ?30 degree subspace of the gaze direction parameter. Figure I (b,c,d) shows the normalized correlation score for each view model when tracking a rotating eyeball. Since the tuning curves produced by these models are fairly broad with respect to gaze angle, one could interpolate from their responses to obtain a good estimate of the true angle. When objects are non-rigid, either constructed out of flexible materials or an articulated collection of rigid parts (like a hand), then the dimensionality of the space of possible views becomes much larger. Full coverage of the view space in these cases is usually not possible since enumerating it even with very coarse sampling would be prohibitively expensive in terms of storage and search computation required. However, many parts of a high dimensional view space may never be encountered when processing real sequences, due to unforeseen additional constraints. These may be physical (some joints may not be completely independent), or behavioral (some views may never be used in the actual communication between user and machine). A major advantage of our adaptive scheme is that it has no difficulty with sparse view spaces, and derives from the data which regions of the space are full. 947 948 Darrell and Pentland ( Figure 2: (a) Models automatically acquired from a sequence of images of a rotating box. (b) Normalized correlation scores for each model as a function of image sequence frame number. 3 UNSUPERVISED LEARNING OF VIEW UNITS To derive a set of new view models, we use a simple form of unsupervised clustering in which the first example forms a new view, and subsequent examples that are below a distance threshold are merged into the nearest existing view. A new view is created when an example is below the threshold distance for all views in the current set, but is above a base threshold which establishes that the object is still (roughly) being tracked. Over time, this "follow-the-Ieader" algorithm results in a family of view models that sample the space of object poses in the training data. This method is similar to those commonly used in vector quantization [7]. Variance statistics are updated for each model pixel, and can be used to exclude unreliable points from the correlation computation. For simple objects and transformations, this adaptive scheme can build a model which adequately covers the entire space of possible views. For example, for a convex rigid body undergoing aID rotation with fixed relative illumination, a relatively small number of view models can suffice to track and interpolate the position of the object at any rotation. Figures 2 illustrates this with a simple example of a rotating box. The adaptive tracking scheme was run with a camera viewing a box rotating about a fixed axis. Figure 2a shows the view models in use when the algorithm converged, and all possible rotations were matched with score greater than 0\. To demonstrate the tuning properties of each model under rotation, Figure 2b shows the correlation scores for each model plotted as a function of input frame Classifying Hand Gestures with a View-Based Distributed Representation Figure 3: Four spatial views found by unsupervised clustering method on sequence containing two hand-waving gestures: side-to-side and up-down. I I IT] I I Yt4 ~ l- x - ~ *m ... ~ *~ ~ spatial views . . . c:::::J temporal views Figure4: Overview of unsupervised clustering stage to learn spatial and temporal views. An input image sequence is reduced to sequence of feature vectors which record the maximum value in a normalized correlation network corresponding to each spatial view. A similar process using temporal views reduces the spatial feature vectors to a single spatia-temporal feature vector. number of a demonstration sequence. In this sequence the box was held fixed at its initial position for the first 5 frames, and then rotated continuously from 0 to 340 degrees. The responses of each model are broadly tuned as a function of object angle, with a small number of models sufficing to represent/interpolate the object at all rotations (at least about a single axis). We ran our spatial clustering method on images of hands performing two different "waving" gestures. One gesture was a side-to-side wave, with the fingers rigid, and the other was an up-down wave, with the wrist held fixed and the fingers bending towards the camera in synchrony. Running instances of both through our view learning method, with a base threshold of Bo=0.6 and a "new model" threshold of BI = 0.7, the clustering method found 4 four spatial templates to span all of the images in the both sequences Figure 3 shows the pixel values for these four models. 949 950 Darrell and Pentland Figure 5: Surface plot of temporal templates found by unsupervised clustering method on sequences of two hand-waving gestures. Vertical axis is score, horizontal axis is time, and depth axis is spatial view index. 3.1 TEMPORAL VIEWS The previous sections provide a method for finding spatial views to reduce the dimensionality in a tracking task. The same method can be applied in the temporal domain as well, using a set of "temporal views". Figure 4 shows an overview of these two stages. We construct temporal views using a similar method to that used for spatial views, but with temporal segmentation cues provided by the user. Sequences of spatial-feature vector outputs (the normalized correlation scores of the spatial views) are passed as input to the unsupervised clustering method, yielding a set of temporal views. To find the distance between two sequences, we again use a normalized correlation metric, with Dynamic Time Warping (DlW) method [1, 10]. This allows the time course of a gesture to vary, as long as the same series of spatial poses is present. In this way a set of temporal views acting on spatial views which in turn act on image intensities, is created. The responses of these composi te views yield a single spatio-temporal stimulus vector which describes spatial and temporal properties of the input signal. As an example, for the "hand-waving" example shown above, two temporal views were found by the clustering method. These are shown as surface plots in Figure 5. Empirically we have found that the spatio-temporal units capture the salient aspects of the spatial and temporal variation of the hand gestures in a low-dimensional representation, so efficient classification is possible. The response of these temporal view units on an input sequence containing three instances of each gesture is shown in Figure 6. 4 CLASSIFICATION OF GESTURES The spatio-temporal units obtained by the unsupervised procedure described above are used as inputs to a supervised learning/classification stage (Figure 7(a)). We have implemented two different classification strategies, a traditional Diagonal Gaussian Classifier, and a multi-layer perceptron. Classifying Hand Gestures with a View-Based Distributed Representation (a) (b) Figure 6: (a) surface plot of spatial view responses on input sequence containing three instances of each hand-waving gesture. (b) final spatio-temporal view unit response: the time-warped, normalized correlation score of temporal views on spatial view feature vectors. As an experiment, we collected 42 examples of a "hello" gesture, 26 examples of "goodbye" and 10 examples of other gestures intended to generate false alarms in the classifier. All gestures were performed by a single user under similar imaging conditions. For each trial we randomly selected half of the target gestures to train the classifier, and tested on the remaining half. (All of the conflictor gestures were used in both training and testing sets since they were few in number.) Figure 7(b) summarizes the results for the different classification strategies. The Gaussian classifier (DG) achieved an hit rate of 67%, with zero false alarms. The multi-layer perceptron (MLP) was more powerful but less conservative, with a hit rate of 86% and a false alarm rate of 5%. We found the results of the MLP classifier to be quite variable; on many of the trials the classifier was stuck in a local minima and failed to converge on the test set. Additionally there was considerable dependence on the number of units in the hidden layer; empirically we found 12 gave best performance. Nonetheless, the MLP classifier provided good performance. When we excluded the trials on which the classifier failed to converge on the training set, the performance increased to 91 % hit rate, 2% false alarm rate. 5 CONCLUSION We have demonstrated a system for tracking and recognition of simple hand gestures. Our entire recognition system, including time-warping and classification, runs in real time (over 10Hz). This is made possible through the use of a special purpose normalized correlation search co-processor. Since the dimensionality of the feature space is low, the dynamic time warping and classifications steps can be implemented on conventional workstations and still achieve real-time performance. Because of this real-time performance, our system is 951 952 Darrell and Pentland hello II "bye" II c:::J - -...~ CLASSIFIER - .... ~ ST unit outputs Figure 7: Overview of supervised classification stage and results obtained for different types of classifiers. directly applicable to interactive "glove-free" gestural user interfaces. References [1] Bellman, R E., (1957) Dynamic Programming. Princeton, NJ: Princeton Univ. Press. [2] Beymer, D., Shashua, A., and Poggio, T., (1993) ''Example Based Image Analysis and Synthesis", MIT AI Lab Memo No. 1431 [3] Breuel, T., (1992) "View-based Recognition", IAPR Workshop on Machine Vision Applications. [4] Cipolla, R, Okamotot, Y., and Kuno, Y., (1992) "Qualitative visual interpretation of 3D hand gestures using motion parallax", IAPR Workshop on Machine Vision Applications. [5] Fukumoto, M., Mase, K., and Suenaga, Y., (1992) "Real-Time Detection of Pointing Actions for a Glove-Free Interface", IAPR Workshop on Machine Vision Applications. [6] Ishibuchi, K., Takemura, H., and Kishino, F., "Real-Time Hand Shape Recognition using Pipe-line Image Processor", (1992) IEEE Workshop on Robot and Human Communication, pp. 111-116. [7] Makhoul, J., Roucos, S., and Gish, H., (1985) "Vector Quantization in Speech Coding" Proc. IEEE, Vol. 73, No. 11, pp. 1551-1587. [8] Murase, H.,and Nayar, S. K., (1993) "Learning and Recognition of 3D Objects from Appearance", Proc. IEEE Qualitative Vision Workshop, New York City, pp. 39-49. [9] Poggio, T., and Edelman, S., (1990) "A Network that Learns to Recognize Three Dimensional Objects," Nature, Vol. 343, No. 6255, pp. 263-266. [10] Sakoe, H., and Chiba, S., (1980) "Dynamic Programming optimization for spoken word recognition", IEEE Trans. ASSP, Vol. 26, pp. 623-625. [11] Turk, M., and Pentland, A. P., (1991) "Eigenfaces for Recognition", Journal of Cognitive Neuroscience, vol. 3, pp. 71-89. [12] Ullman, S., and Basri, R, (1991)"Recognition by Linear Combinations of Models," IEEE PAMI, Vol. 13, No. 10, pp. 992-1007.
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Backpropagation without Multiplication Patrice Y. Simard AT &T Bell Laboratories Holmdel, NJ 07733 Hans Peter Graf AT&T Bell Laboratories Holmdel, NJ 07733 Abstract The back propagation algorithm has been modified to work without any multiplications and to tolerate comput.ations with a low resolution, which makes it. more attractive for a hardware implementatioll. Numbers are represented in float.ing point format with 1 bit mantissa and 3 bits in the exponent for the states, and 1 bit mantissa and 5 bit exponent. for the gradients, while the weights are 16 bit fixed-point numbers. In this way, all the computations can be executed with shift and add operations . Large nehvorks with over 100,000 weights were t.rained and demonstrat.ed the same performance as networks comput.ed with full precision. An estimate of a circuit implementatioll shows that a large network can be placed on a single chip , reaching more t.han 1 billion weight updat.es pel' second. A speedup is also obtained on any machine where a multiplication is slower than a shift op erat.ioJl. 1 INTRODUCTION One of the main problems for implement.ing the backpropagation algorithm in hardware is the large number of multiplications t.hat. have to be executed. Fast multipliers for operands wit.h a high resolution l'eqllire a large area. Hence the multipliers are the elements dominating t.he area of a circuit. i\'Iany researchers have tried to reduce the size of a circuit by limit.ing the resolution of the computation. Typically, this is done by simply reducing the number of bits utilized for the computation. For a forward pass a reduction tOjllst a few , 4 to 6. bits, often degl'ades the performance very little, but. learning requires considerably more resolution. Requirements ranging anywhere from 8 bits to more than 16 bits were report.ed to be necessary to make learning converge relia.bly (Sakaue et al., 1993; Asanovic, I\'Iorgan and \Va.wrzYllek, 1993; Reyneri and Filippi, 1991). But t.here is no general theory, how much resolution is enough, and it depends on several factors, such as the size and architecture of the network as \-vell as on the t.ype of problem to be solved . 232 Backpropagation without Multiplication Several researchers have tried to tl'ain networks where the weights are limited to powers of two (Kwan and Tang, 1993; White and Elmasry, 1992; l'vlarchesi et. al., 1993). In this way all the multiplications can be reduced to shift operations, an operation that can be implemented with much less hardware than a multiplication. But restricting the weight values severely impacts the performance of a network, and it is tricky to make t.he learning procedure converge. III fact , some researchers keep weights with a full resolution off-line and update t.hese weights in the backward pass, while the weights with reduced resolution are used in the forward pass (Marchesi et al., 1993) . Similar tricks are usually used when networks implemented in analog hardware are trained. Weight.s with a high resolution are stored in an external, digital memory while the analog net.work with its limited resolution is used in the forward pass. If a high resolution copy is not stored, the weight update process needs to be modified. This is typically done by using a stochastic update technique, such as weight dithering (Vincent and l\lyers, 19~)2), or weight perturbation (.J abri and Flower, 1992). We present here an algorithm that instead of reducing the resolut.ion of the weights, reduces the resolution of all t.he other values, namely those of the states, gradients and learning rates, to powers of two. This eliminates multiplications without affecting the learning capabilities of t.he network. Therefore we ohtain the benefit of a much compacter circuit without any compromises on the learning performance. Simulations of large net.works with over 100,000 weights show that this algorithm perf?r.ms as well as standal'd backpwpagation computed with 32 bit floating point preCIsIon. 2 THE ALGORITHM The forward propagat.ion for each unit i. is given by th e pquation: Xj = j~(L wji.t' il ( 1) where f is the unit functjoll, Wji is the weight from unit i to unit j, and Xi is the activation of unit i. The backpwpagation algorithm is wbust with regard to the unit function as long as the function is nonlinear, monotonically increasing, and a derivative exists (the most commonly used function is depicted in Figure 1, left. A saturated ramp function (see Figure 1, middle), for instance, performs as well as the differentiable sigmoid. The binary threshold function, however, is too much of a simplification and results in poor performance . The choice of OUl' function is dictated by the fact that we would like t.o have only powers of two for the unit values. This function is depicted ill Figure 1, right. It gives performances comparable to the sigmoid or the saturated ramp . Its values can be represented by a 1 bit mantissa (the sign) with a. 2 or 3 bit exponent. (negative powers of t.wo). The derivative of this funct.ion is a. SlIm of Dirac delta functions, but we take instead the derivative of a piecewise linear ramp funct.ion (see Figure 1) . 0\1(" could actually consider this a low pass filtered version of the real derivat.ive . After the gradients of all the units have been computed using the equation. [h = If (s 11 In i ) L U'j i [lj (2) j we will discretize the values to be a power of two (wit h sign) . This introduces noise into the gradient and its effect, on th e learning has to be considered carefully. This 233 234 Simard and Graf Piecewise linear Sigmoid .. , Functlon F\Jflctl.On F'Unction 1., 1.. Power of two ... .., - o. S -, -, -l.$_I:-.--:_,:--:.?~_":",~_.~.?~.-=.--=.?~,""7,--=-.,~, -'1----1 -l.~_':-,-:_,:'": .?~_":",-:_,~.,~,-:,--=. ,~,""7,"": .? -:, FunctIon derlvatl.Ve Functlon derl.Vatlve -:",'.,-!, "'" - ) . s_':-,-: _,-=.,~_.,..,-:_.-= . ,--::-.-,.'"'".,-.-, FunctIon derl.vatl.ve (apprOXlmationJ 1.. 1.. .., -o.S -o.S -O.! -, -, -, ?.:-,"':,--;" ..:-,~, -1 ? '_':-,~_,~ ??:-':"_,-_-:?? :-."'=.~ -1. S_I:-,--:_,:--:.,-_":",~_.~.,~.-=,'"'".,~,""7,'"',--:, ". -1. '-'="2--:""1.':-':"-1--":"" ?.:-,"'=o~ ?. :-,-:"'--:"'1.:-,-:, Figure 1: Left: sigmoid function with its derivative. ]\>'1iddle: piecewise linear function with its derivative. Right.: Sat.urated power of two function with a power of two approximation of its derivative (ident.ical to t.he piecewise linear derivative). problem will be discussed in section 4. The backpropagat.ion algorithm can now be implemented with addit.ions (or subtract.iolls) and shifting only. The weight update is given by the equa.tion: D.1.Vji Since both 9j and and shifts. 3 Xi = -119jXi (3) are powers of two, the weight update also reduces to additions RESULTS A large structured network wit.h five layers and overall 11l00'e t.han 100,000 weights was used to test this algorithm. The applicat.ion analyzed is recognizing handwrit.ten character images. A database of 800 digits was used for training and 2000 handwritten digits were used for test.ing. A description of this network can be found in (Le Cun et aI., 1990). Figure 2 shows the learning curves on t.he test set for various unit functions and discretization processes. First, it should be noted that t.he results given by the sigmoid function and the saturated ramp with full precision on unit values, gradients, and weights are very similar. This is actually a well known behavior. The surprising result comes from the fact that reducing the precision of the unit values and the gradients to a 1 bit mantissa does not reduce the classification accuracy and does not even slow down the learning process. During these tests the learning process was interrupted at various stages to check that both the unit values (including the input layer, but excluding the output layer) and t.he gradient.s (all gradients) were restricted to powers of two. It was further confirmed that. ollly 2 bits wet'e sufficient. for the exponent of the unit Backpropagation without Multiplication Training error 100 Testing error 100 ? sigmoid o piecewise lin o power of 2 go eo ? sigmoid piecewise lin o power of 2 90 D 80 70 70 60 60 50 50 40 40 30 30 20 20 IlohU:e::a.n:u 10 10 ~ 0 0 2 4 6 8 10 12 14 18 18 20 22 24 age (in 1000) 0 0 2 4 6 8 10 12 14 16 16 20 22 24 age (in 1000) Figure 2: Training and testing error during leaming. The filled squares (resp. empty squared) represent the points obtained with the vanilla backpropagation and a sigmoid function (resp. piecewise linear function) used a<; an activation function. The circles represent the same experiment done wit.h a power of t.wo function used as the activation function, and wit.h all lInit. gradients discretized to the nearest power of two. values (from 2? to 2- 3 ) and 4 bit.s were sufficient for the exponent. of the gradients (from 2? to 2- 15 ). To test whether there was any asymptot.ic limit on performance, we ran a long term experiment (several days) with our largest network (17,000 free parameters) for handwritten character recognition. The training set (60,000 patterns) was made out 30,000 patterns of the original NIST t.raining set (easy) and 30,000 patterns out of the original NIST testing set (hard). Using the most basic backpropagation algorithm (with a guessed constant learning rate) we got the training raw error rate down to under 1% in 20 epochs which is comparable to our standard learning time. Performance on the test set was not as good with the discrete network (it took twice as long to reach equal performance with the discrete network). This was attributed to the unnecessary discretization of the output units 1. These results show that gradients and unit activations can be discretized to powers of two with negligible loss in pel"formance and convergence speed! The next section will present theoretical explanations for why this is at. all possible and why it is generally the case. lSince the output units are not multiplied by anything, t.here is no need to use a discrete activation funct.ion. As a matter of fact the continuous sigmoid function can be implemented by just changing the target. values (using the inverse sigmoid function) and by using no activation function for the output units. This modificat.ion was not introduced but we believe it would improves the performance on t.he t.est. set. especially when fancy decision rules (with confidencE' evaluatioll) are used, since t.hey require high precision on the output units. 235 236 Simard and Graf ~:s:.ogram 2000 lROO 1600 1"00 1200 1000 aDD 600 '00 200 histogram Best case: Noise is uncorrelated and a" weights are equal Worse case: NOise is correlated or the weights are unequal Figure 3: Top left: histogram of t.he gradients of one output unit after more than 20 epochs of learning over a training set of GO,OOO pallel'lIs . Bottom left: same histogram assuming that the distt'ibutioll is constant between powers of two. Right: simplified network architectlll'es fOl' noise effect. analysis . 4 DISCUSSION Discretizing the gradient is potentially very dangerous. Convergence may no longer be guaranteed, learning may hecome prohibitively slow, and final performance after learning may be be too poor to be interesting, "Ve will now explain why these problems do not arise for our choice of discret.ization. Let gi(p) be the error gradient at weight i and pattern p. Let 1'.,: and Ui be the mean and standard deviation of gi(p) over the set of patterns. The mean Pi is what is driving the weights to their final values, the standard deviation Ui represents the amplitudes of the variations of the gradients from pattern to pattern. In batch learning, only Pi is used for the weight upda.te, while in stochastic gradient descent, each gi(p) is used for the weight update. If the learning rate is small enough the effects of the noise (measured by u;) of the stochastic variable Ui (p) are negligible, but the frequent weight updates in stochastic gradient descent result. in important speedups, To explain why the discretization of the gradient to a power of two has negligible effect on the pel'formance, consider that in stochastic gradient descent, the noise on the gradient is already so large that it is minimally affected by a rounding (of the gradient) to the nearest power of two. Indeed asymptotically, t.he gradient a.verage (Pi) tends to be negligible compared to it.s standard deviation (ui), meaning that from pattern to pattern the gradient can undergo sign reversals, Rounding to the nearest power of two in comparison is a change of at. most 33%, but never a change in sign. This additional noise can therefore be compensated by a slight. decrease in the learning rate which will hardly affect the leal'l1ing process . Backpropagation without Multiplication The histogram of gi(p) after learning in the last experiment described in the result section, is shown in Figure 3 (over the training set of 60,000 patterns). It is easy to see in the figure that J.li is small wit.h respect to (7i (in this experiment J.li was one to two orders of magnitude smaller than (7i depending on the layer). vVe can also see that rounding each gradient to the nearest power of two will not affect significantly the variance (7i and therefore the learning rate will not need to be decreased to achieve the same performance. We will now try to evaluate the rounding to the nearest power of two effect more quantitatively. The standard deviation of the gradient for any weight can be written as 'I 1~ ') l~ ') ') l~ 2 (4) (7; = N ~(gi(P) - pi)- = N ~ gi(p)- - J.l- ~ N ~ gi(p) p p p This approximation is very good asymptotically (after a few epochs of learning). For instance if lJ.li I < (7;/ 10, the above formula gives the standard deviation to 1%. Rounding the gradient gi to the nearest power of two (while keeping the sign) can be viewed as the effect of a multiplicative noise 11i in the equation g/ = 2k = ad 1 + nd for some k (5) where g/ is the nearest power of two from gj. It can be easily verified that this implies that 11.i ranges from -1/3 and 1/3 . From now on , we will view Hi as a random variable which models as noise the effect of discretization . To simplifY the computation we will assume that 11j has uniform distribution. The effect of this assumption is depicted in figure :3, where the bottom histogram has been assumed constant between any two powers of t.wo. To evaluate the effect of the noise ni in a multilayer network , let 7Ili be the multiplicative noise introduced at layer I (l = 1 for the output, and I = L for the first layer above the input) for weight i. Let's further assume that there is only one unit per layer (a simplified diagra.m of the network architecture is shown on figure 3. This is the worst case analysis. If there are several units per layer, the gradients will be summed to units in a lower layer. The gradients within a layer are correlated from unit to unit (they all originate from the same desired values), but the noise introduced by the discretization can only be less correlated, not more . The summation of the gradient in a lower layer can therefore only decrease the effect of the discretization . The worst case analysis is t.herefore when there is only one unit. per layer as depicted in figure :3, extreme right. \Ve will further assume that the noise introduced by the discretizat.ion ill one layer is independent from the Iloise introduced in the next layer . This is not ~'eally true but it greatly simplifies the derivation. Let J.l~ and (7i be the mean and standard deviation of Oi (p)'. Since nli has a zero mean, J.l~ = J.li and J1~ is negligible with respect to gd}J)? In the worst case, when the ~radient has to be backpropagated all the way to t.he input , the standard deviation IS: L 1L N p gi(p)2 II (3-2 j1/3 (1 + 1 -1/3 11 Ii )2d7l/i )- /1 2 ~ (1 )L (7; 1 + -. 27 (6) 237 238 Simard and Graf As learning progresses, the minimum average distance of each weight to the weight corresponding to a local minimum becomes proportional to the variance of the noise on that weight, divided by the learning rate. Therefore, asymptotically (which is where most of the time is spent), for a given convergence speed, the learning rate should be inversely proportional to the variance of the noise in the gradient. This means that to compensClte the effect of the discretization. the learning rate should be divided by (1" I (11+ ;7) L '" 1.02? (7) Even for a 10 layer network this value is only 1.2, (u~ is 20 % larger than ud. The assumption that the noise is independent from layer to layer tends to slightly underestimate this number while the assumption that the noise from unit to unit in the same layer is completely correlated tends to overestimate it. All things considered, we do not expect that the learning rate should be decrea'Sed by more than 10 to 20% for any practical application. In all our simulations it was actually left unchanged! 5 HARDWARE This algorithm is well suited for integrating a large network on a single chip . The weights are implemented with a resolution of 16 bits, while the states need only 1 bit in the mantissa and 3 bits in the exponent, the gradient 1 bit in the mantissa and 5 bits in the exponent, and for the learning rate 1 bits mantissa and 4 bits exponent suffice. In this way, all the multiplications of weights with states, and of gradients with learning rates and st.at.t's. reduce to add operations of the exponents. For the forward pass the weights are multiplied with the states and then summed. The mUltiplication is executed as a shift operation of the weight values. For summing two products their mantissae have to be aligned, again a shift operation, and then they can be added. The partial sums are kept at full resolution until the end of the summing process. This is necessary to avoid losing the influence of many small products. Once the sum is computed, it is then quantized simply by checking the most significant bit in the mantissa. For the backward propagation the computation runs in the same way, except t.hat now the gradient is propagated through the net, and the learning rate has to be taken into account.. The only operations required for this algorithm are 'shift' and 'add'. An ALU implementing these operations with the resolution ment.ioned can be built with less than 1,000 transistors. In order to execut.e a network fast, its weights have to be stored on-chip. Ot.herwise, t.he time required to t.ransfer weight!; from external memory onto the chip boundary makes the high compute power all but useless. If storage is provided for 10,000 weights plus 2,000 states, this requires less than 256 kbit of memory. Together with 256 ALUs and circuitry for routing the data, this leads to a circuit with about 1.7 million transistors, where over 80% of them are contained in the memory. This assumes that the memory is implemented with static cells, if dynamic memory is used instead the transistor count drops considerably.. An operating speed of 40 MHz resnlts in a compute rate of 10 billion operat.ions per second. \-\lith such a chip a network may be trained at a speed of more than 1 billion weight updates per second. Backpropagation without Multiplication This algorithm has been optimized for an implementation on a chip, but it can also provide a considerable speed up when executed on a standard computer. Due to the small resolution of the numbers, several states can be packed into a 32 bit number and hence many more fit int.o a chache. Moreover on a machine without a hardware multiplier, where the multiplication is executed with microcode, shift operations may be much faster than multiplications. Hence a suhstancial speedup may be observed. References Asanovic, K., Morgan, N., and \Vawrzynek, J. (1993). Using Simulations of Reduced Precision Arithmetic t.o Design a Neura- Microprocessor. 1. FLSI Signal Processing, 6(1):33-44. Jabri, M. and Flower, B. (1992). 'Veight Perturbation: An optimal architecture and learning technique for analog VLSI feedforward and l'ecmrent multilayer networks. IEEE Trans. Neural Networks, 3(3):154-157. Kwan, H. and Tang, C. (1993). Multipyerless Multilayer Feedforward Neural Network Desi~n Suitable for Continuous Input-Output Mapping. Elecironic Lei- ters,29(14):1259-1260. Le Cun, Y., Boser, B., Denker, J. S., Henderson, D., Howard, R. E., Hubbard, W., and Jackel, L. D. (1990). Handwritten Digit Recognition with a BackPropagation Network . In Touretzky, D., editor, Neural Injo1'lnaiio71 Processing Systems, volume 2, (Denver, 1989). l'vIorgan Kaufman. Marchesi, M., Orlando, G., Piazza, F., and Uncini, A. (1993). Fast Neural Networks without Multipliers. IEEE Trall.5. Ne11ral Networks, 4(1):53-62. Reyneri, L. and Filippi, E. (1991). An analysis on the Performance of Silicon Implementations of Backpropagation Algorithms for Artificial Nemal Networks. IEEE Trans. Computer's, 40( 12): 1380-1389. Sakaue, S., Kohda, T., Yamamoto, II., l\'laruno, S., and Shimeki, Y. (1993). Reduction of Required Precision Bits for Back-Propagation Applied to Pattern Recognition. IEEE Tralls. Neural Neiworks, 4(2):270-275. Vincent, J. and Myers, D. (1992). Weight dithering and \Vordlength Selection for Digital Backpropagation Networks. BT Tech7lology J., 10(3):124-133. White, B. and Elmasry, M. (1992). The Digi-Neocognitron: A Digit.al Neocognit.ron Neural Network Model for VLSI. IEEE Trans. Nel/r'al Networks, 3( 1 ):73-85. 239
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Event-Driven Simulation of Networks of Spiking l'Ieurons Lloyd Watts Synaptics Inc. 2698 Orchard Parkway San Jose CA 95134 11oydGsynaptics.com Abstract A fast event-driven software simulator has been developed for simulating large networks of spiking neurons and synapses. The primitive network elements are designed to exhibit biologically realistic behaviors, such as spiking, refractoriness, adaptation, axonal delays, summation of post-synaptic current pulses, and tonic current inputs. The efficient event-driven representation allows large networks to be simulated in a fraction of the time that would be required for a full compartmental-model simulation. Corresponding analog CMOS VLSI circuit primitives have been designed and characterized, so that large-scale circuits may be simulated prior to fabrication. 1 Introduction Artificial neural networks typically use an abstraction of real neuron behaviour, in which the continuously varying mean firing rate of the neuron is presumed to carry the information about the neuron's time-varying state of excitation [1]. This useful simplification allows the neuron's state to be represented as a time-varying continuous-amplitude quantity. However, spike timing is known to be important in many biological systems. For example, in nearly all vertebrate auditory systems, spiral ganglion cells from the cochlea are known to phase lock to pure-tone stimuli for all but the highest perceptible frequencies [2]. The barn owl uses axonal delays to compute azimuthal spatial localization [3]. Studies in the cat [4] have shown that 927 928 Watts relative timing of spikes is preserved even at the highest cortical levels. Studies in the visual system of the blowfly [5] have shown that the information contained in just three spikes is enough for the fly to make a decision to turn, if the visual input IS sparse. Thus, it is apparent that biological neural systems exploit the spiking and timedependent behavior of the neurons and synapses to perform system-level computation. To investigate this type of computation, we need a simulator that includes detailed neural behavior, yet uses a signal representation efficient enough to allow simulation of large networks in a reasonable time. 2 Spike: Event-Driven Simulation Spike is a fast event-driven simulator optimized for simulating networks of spiking neurons and synapses. The key simplifying assumption in Spike is that all currents injected into a cell are composed of piecewise-constant pulses (i.e., boxcar pulses), and therefore all integrated membrane voltage trajectories are piecewise linear in time. This very simple representation is capable of surprisingly complex and realistic behaviors, and is well suited for investigating system-level questions that rely on detailed spiking behavior. The simulator operates by maintaining a queue of scheduled events. The occurrence of one event (i.e., a neuron spike) usually causes later events to be scheduled in the queue (Le., end of refractory period, end of post-synaptic current pulse). The total current injected into a cell is integrated into the future to predict the time of firing, at which time a neuron spike event is scheduled. If any of the current components being injected into the cell subsequently change, the spike event is rescheduled. The simulator runs until the queue is empty or until the desired run-time has elapsed. A similar event-driven neural simulator was developed by Pratt [6]. The simulator output may be plotted by a number of commercially available plotting programs, including Gnuplot, Mathematica, Xvgr, and Cview. 3 N euraLOG: Neural Schematic Capture NeuraLOG is a schematic entry tool, which allows the convenient entry of "neural" circuit diagrams, consisting of neurons, synapses, test inputs, and custom symbols. NeuraLOG is a customization of the program AnaLOG, by John Lazzaro and Dave Gillespie. The parameters of the neural elements are entered directly on the schematic diagram; these parameters include the neuron refractory period, duration and intensity of the post-synaptic current pulse following an action potential, saturation value of summating post-synaptic currents, tonic input currents, axonal delays, etc. Custom symbols can be defined, so that arbitrarily complex hierarchical designs may be made. It is common to create a complex "neuron" containing many neuron and synapse primitive elements. Spiking inputs may be supplied as external stimuli for the circuit in a number of different formats, including single spikes, periodic spike trains, periodic bursts, poisson random spike trains, and gaussian-jittered periodic Event-Driven Simulation of Networks of Spiking Neurons spike trains. Textual input to Spike is also supported, to allow simulation of circuit topologies that would be too time-consuming to enter graphically. 4 A Simple Example A simple example of a neural circuit is shown in Figure 1. This circuit consists of two neurons (the large disks), several synapses (the large triangles), and two tonic inputs (the small arrows). The text strings associated with each symbol define that symbol's parameters: neuron parameters are identifier labels (Le., ni) and refractory period in milliseconds (ms); synapse parameters are the value of the postsynaptic current in nA, and the duration of the current pulse in ms, and an optional saturation parameter, which indicates how many post-synaptic current pulses may be superposed before saturation; the tonic input parameter is the injected current in nA. Filled symbols (tonic inputs and synapses) indicate inhibitory behavior. -.8108> -815> 6.4> .132.5> -.001 > Figure 1: Graphical input representation of a simple neural circuit, as entered in NeuraLOG. The simulated behavior of the circuit is shown in Figure 2. The neuron ni exhibits an adapting bursting behavior, as seen in the top trace of the plot. The excitatory tonic current input to neuron ni causes ni to fire repeatedly. The weakly excitatory synapse from ni to neuron n2 causes n2 to fire after many spikes from n1. The synaptic current in the synapse from ni to n2 is plotted in the trace labeled snin2. The strongly inhibitory synapse from n2 to ni causes ni to stop firing after n2 fires a spike. The synaptic current in the synapse from n2 to ni is plotted in the trace labeled sn2ni. The combination of the excitatory tonic input to ni and the inhibitory feedback from n2 to ni causes the bursting behavior. The adapting behavior is caused by the self-inhibitory accumulating feedback from neuron ni to itself, via the summating inhibitory synapse in the top left of the diagram. Each spike on ni causes a slightly increased inhibitory current into ni, which gradually slows the rate of firing with each successive pulse. The synaptic current in this inhibitory synapse is plotted in the trace snini; it is similar to the 929 930 Watts n1 _mJJJD"'----___ JillJJU"'----___OOJJU~ J~ J J n2 sn1n1 sn2n1 o 10 20 30 40 50 60 70 Time (ms) Figure 2: Simulation results for the circuit of Figure 1, showing adapting bursting behavior. current that would be generated by a calcium-dependent potassium channel. This simple example demonstrates that the summating synapse primitive can be used to model a behavior that is not strictly synaptic in origin; it can be thought of as a general time-dependent state variable. This example also illustrates the principle that proper network topology (summating synapse in a negative feedback loop) can lead to realistic system-level behavior (gradual adaptation), even though the basic circuit elements may be rather primitive (boxcar current pulses). 5 Applications of the Simulation Tools NeuraLOG and Spike have been used by the author to model spiking associative memories, adaptive structures that learn to predict a time delay, and chaotic spiking circuits. Researchers at Caltech [7, 8] and the Salk Institute have used the tools in their studies of locust central pattern generators (CPGs) and cortical oscillations. The cortical oscillation circuits contain a few hundred neurons and a few thousand synapses. A CPG circuit, developed by Sylvie Ryckebusch, is shown in Figure 3; the corresponding simulation output is shown in Figure 4. NeuraLOG and Spike are distributed at no charge under the GNU licence. They are currently supported on HP and Sun workstations. The tools are supplied with a user's manual and working tutorial examples. Event-Driven Simulation of Networks of Spiking Neurons in)>--~. ~)>--~. pill IwI)>--- i11 chI)>---..... i11) ~ levi) <l ItIVr) ~ ~ levi) ~ pill) <l <l I_r) pill) dll I-I) ItIVr) in) ~in ItIVr) pirr ItIVr) i1r dar) i1r) ItIVr) levi) ItIVr ) I_r pirr) levi) ~ <l <l pirr) dar ItIVr ) IwI) Figure 3: Sylvie Ryckebusch's locust CPG circuit. For clarity, the synapse parameters have been omitted. 931 932 Watts I In dfl dsl i11 levi pirl dfr dsr j 11r t levr j pirr J J J J -L t -I 1 -I j J j .J j 0 j 20 40 60 J " L -L t -I j j j j 80 J ? 100 Time (ms) Figure 4: Simulation results for Sylvie Ryckebusch's locust CPG circuit. 6 The Link to Analog VLSI Analog VLSI circuit primitives that can be modelled by Spike have been designed and tested. The circuits are shown in Figure 5, and have been described previously [9, 10]. These circuits have been used by workers at Caltech to implement VLSI models of central pattern generators. The software simulation tools allow simulation of complex neural circuits prior to fabrication, to improve the likelihood of success on first silicon, and to allow optimization of shared parameters (bias wires). 7 Conclusion NeuraLOG and Spike fill a need for a fast neural simulator that can model large networks of biologically realistic spiking neurons. The simple computational primitives within Spike can be used to create complex and realistic neural behaviors in arbitrarily complex hierarchical designs. The tools are publicly available at no charge. NeuraLOG and Spike have been used by a number of research labs for detailed modeling of biological systems. Acknowledgements NeuraLOG is a customization of the program AnaLOG, which was written by John Lazzaro and David Gillespie. Lloyd Watts gratefully acknowledges helpful discussions with Carver Mead, Sylvie Ryckebusch, Misha Mahowald, John Lazzaro, Event-Driven Simulation of Networks of Spiking Neurons .......................?... ....... ..???....... ....................?.....?.............. ......?...................... ~ Ie I m IKJ I . ~ ............ ~y.f!~.P.s.~ .............. I~~.i~ .. L............................... ~~':Ir~!"............................ . Figure 5: CMOS Analog VLSI circuit primitives. The neuron circuit models a voltage-gated sodium channel and a delayed rectifier potassium channel to produce a spiking mechanism. The tonic circuit allows constant currents The synapse circuit to be injected onto the membrane capacitance creates a boxcar current pulse in response to a spike input. em. David Gillespie, Mike Vanier, Brad Minch, Rahul Sarpeshkar, Kwabena Boahen, John Platt, and Steve Nowlan. Thanks to Sylvie Ryckebusch for permission to use her CPG circuit example. References [1] J. Hertz, A. Krogh and R. Palmer, Introduction to the Theory of Neural Computation, Addison-Wesley, 1991. [2] N. Y-S. Kiang, T. Watanabe, E. C. Thomas, L. F. Clark, "Discharge Patterns of Single Fibers in the Cat's Auditory Nerve", MIT Res. Monograph No. 35, (MIT, Cambridge, MA). [3] M. Konishi, T.T. Takahashi, H. Wagner, W.E. Sullivan, C.E. Carr, "Neurophysiological and Anatomical Substrates of Sound Localization in the Owl", In Auditory Function, G.M. Edelman, W.E. Gall, and W.M. Cowan, eds., pp. 721-745, Wiley, New York. [4] D. P. Phillips and S. E. Hall, "Response Timing Constraints on the Cortical Representation of Sound Time Structure" , Journal of the Acoustical Society of America, 88 (3), pp. 1403-1411, 1990. [5] R.R. de Ruyter van Steveninck and W. Bialek, "Real-time Performance of a movement-sensitive neuron in the blowfly visual system: Coding and infor- 933 934 Watts [6] [7] [8] [9] [10] mation transfer in short spike sequences", Proceedings of the Royal Society of London, Series B, 234, 379-414. G. A. Pratt, Pulse Computation, Ph.D. Thesis, Massachusetts Institute of Technology, 1989. M. Wehr, S. Ryckebusch and G. Laurent, Western Nerve Net Conference, Seattle, Washington, 1993. S. Ryckebusch, M. Wehr, and G. Laurent, "Distinct rhythmic locomotor patterns can be generated by a simple adaptive neural circuit: biology, simulation, and VLSI implementation", in review, Journal of Computational Neuroscience. R. Sarpeshkar, L. Watts, C.A. Mead, "Refractory Neuron Circuits", Internal Memorandum, Physics of Computation Laboratory, California Institute of Technology, 1992. L. Watts, "Designing Networks of Spiking Silicon Neurons and Synapses", Proceedings of Computation and Neural Systems Meeting CNS*92, San Francisco, CA,1992. PART VIII VISUAL PROCESSING
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Statistics of Natural Images: Scaling in the Woods Daniel L. Ruderman* and William Bialek NEe Research Institute 4 Independence Way Princeton, N.J. 08540 Abstract In order to best understand a visual system one should attempt to characterize the natural images it processes. We gather images from the woods and find that these scenes possess an ensemble scale invariance. Further, they are highly non-Gaussian, and this nonGaussian character cannot be removed through local linear filtering. We find that including a simple "gain control" nonlinearity in the filtering process makes the filter output quite Gaussian, meaning information is maximized at fixed channel variance. Finally, we use the measured power spectrum to place an upper bound on the information conveyed about natural scenes by an array of receptors. 1 Introduction Natural stimuli are playing an increasingly important role in our understanding of sensory processing. This is because a sensory system's ability to perform a task is a statistical quantity which depends on the signal and noise characteristics. Recently several approaches have explored visual processing as it relates to natural images (Atick & Redlich '90, Bialek et al '91, van Hateren '92, Laughlin '81, Srinivasan et al '82) . However, a good characterization of natural scenes is sorely lacking. In this paper we analyze images from the woods in an effort to close this gap. We ? Current address: CB2 3EG, England. The Physiological Laboratory, Downing Street, Cambridge 551 552 Ruderman and Bialek further attempt to understand how a biological visual system should best encode these images. 2 The Images Our images consist of 256 x 256 pixels 1(x) which are calibrated against luminance (see Appendix). We define the image contrast logarithmically as cf;(x) = In(I(x)/10), where 10 is a reference intensity defined for each image. We choose this constant such that Ex cf;(x) = 0; that is, the average contrast for each image is zero. Our analysis is of the contrast data cf;( x). 3 Scaling Recent measurements (Field '87, Burton & Moorhead '87) suggest that ensembles of natural scenes are scale-invariant. This means that and any quantity defined on a given scale has statistics which are invariant to any change in that scale. This seems sensible in light of the fact that the images are composed of objects at all distances, and so no particular angular scale should stand out. (Note that this does not imply that any particular image is fractal! Rather, the ensemble of scenes has statistics which are invariant to scale.) 3.1 Distribution of Contrasts We can test this scaling hypothesis directly by seeing how the statistics of various quantities change with scale. We define the contrast averaged over a box of size N x N (pixels) to be cf;N = ~2 N L cf;( i, j). i,j=l We now ask: "How does the probability P( cf;N) change with N?" = In the left graph of figure 1 we plot log(P( cf;N / cf;~MS)) for N 1,2,4,8,16,32 along with the parabola corresponding to a Gaussian of the same variance. By dividing out the RMS value we simply plot all the graphs on the same contrast scale. The graphs all lie atop one another, which means the contrast scales-the distribution's shape is invariant to a change in angular scale. Note that the probability is far from Gaussian, as the graphs have linear, and not parabolic, tails. Even after averaging nearly 1000 pixels (in the case of 32x32), it remains non-Gaussian. This breakdown of the central limit theorem implies that the pixels are correlated over very long distances. This is analogous to the physics of a thermodynamic system at a critical point. 3.2 Distribution of Gradients As another example of scaling, we consider the probability distribution of image gradients. We define the magnitude of the gradient by a discrete approximation Statistics of Natural Images: Scaling in the Woods ., ? 15 -2.5 ?35 .,.,' - - -............ -2 ., -~--'---~-----'-----' Figure 1: Left: Semi-log plot of P(</JN/(VJMS ) for N 1,2,4,8,16,32 with a Gaussia~ of the same variance for comparison (solid line). Right: Semi-log plot of P(GN/G N) for same set of N's with a Rayleigh distribution for comparison (solid line) . such that G(x) = IG(x)1 ~ 1'V</J (x) I? We examine this quantity over different scales by first rescaling the images as above and then evaluating the gradient at the new scale. We plot log( P( G N / GN )) for N 1,2,4,8,16,32 in the right graph of figure 1, along with the Rayleigh distribution, P ~ G exp( -aG 2 ). If the images had Gaussian statistics, local gradients would be Rayleigh distributed. Note once again scaling of the distribution. = 3.3 Power Spectrum Scaling can also be demonstrated at the level of the power spectrum. If the ensemble is scale-invariant, then the spectrum should be of the form A S(k) = k 2 -'7' where k is measured in cycles/degree, and S is the power spectrum averaged over orientations. The spectrum is shown in figure 2 on log-log axes. It displays overlapping data from the two focal lengths, and shows that the spectrum scales over about 2.5 decades in spatial frequency. We determine the parameters as A = (6.47?0.13) x 1O- 3 deg.(O.19) and 1J = 0.19 ? 0.01. The integrated power spectrum up to 60 cycles/degree (the human resolution limit) gives an RMS contrast of about 30%. 4 Local Filtering The early stages of vision consist of neurons which respond to local patches of images. What do the statistics of these local processing units look like? We convolve images with the filter shown in the left of figure 3, and plot the histogram of its output on a semi-log scale on the right of the figure. 553 554 Ruderman and Bialek ~ < -1 "? ? '"? ~ 'tl -2 ., ~ .," ~ ~ -3 ~ 0 ~ ~ ? ) -4 0 .': 0 rl '" ...,0 -5 ?? -6 -1. 5 -1 -0 . 5 0 0.5 1 LoglO[Spatial Frequency (cycles/degree?) 1.5 Figure 2: Power spectrum of the contrast of natural scenes (log-log plot). The distribution is quite exponential over nearly 4 decades in probability. In fact, almost any local linear filter which passes no DC has this property, including centersurround receptive fields. Information theory tells us that it is best to send signals with Gaussian statistics down channels which have power constraints. It is of interest, then, to find some type of filtering which transforms the exponential distributions we find into Gaussian quantities. Music, as it turns out, has some similar properties. An amplitude histogram from 5 minutes of "The Blue Danube" is shown on the left of figure 4. It is almost precisely exponential over 4 decades in probability. We can guess what causes the excesses over a Gaussian distribution at the peak and the tails; it's the dynamics. When a quiet passage is played the amplitudes lie only near zero, and create the excess in the peak. When the music is loud the fluctuations are large, thus creating the ?0. ?1 + - .,. - + ?2' . ?2 Figure 3: Left: 2 X 2 local filter. Right: Semi-log plot of histogram of its output when filtering natural scenes. Statistics of Natural Images: Scaling in the Woods -<15 ., . .... . ... .. ". . ... ..... .. ".""." .????? ".,1, ???????????? ," ?? -. -15 " I -2 I I I " " I :::::::1:::::::0:::::::1::::::: / ?25 -. i I ; ... I . . ... I I . . . . . . . . 111,.,., II ?? I ??? I I . I ??? ,1111,. I ! / i -4 -2 Figure 4: Left: Semi-log histogram of "The Blue Danube" with a Gaussian for comparison (dashed). Right: 5 x 5 center-surround filter region. tails. Most importantly, these quiet and loud passages extend coherently in time; so to remove the peak and tails, we can simply slowly adjust a "volume knob" to normalize the fluctuations. The images are made of objects which have coherent structure over space, and a similar localized dynamic occurs. To remove it, we need some sort of gain control. To do this, we pass the images through a local filter and then normalize by the local standard deviation of the image (analogous to the volume of a sound passage): ./,( ) = ?(x) - ?(x) O'(x)' 'f/ X Here ?(x) is the mean image contrast in the N x N region surrounding x, and O'(x) is the standard deviation within the same region (see the right of figure 4) . .-",-" / -1 > -1 /' , ~ ! ~ I -, , -J , , / I --,\ ! i i I I -1 ,, \ ,/' ; ~ ~ \ i \, \ I 3 \\ "''\'' -, , -J \ \\ :' ? Contr .... t \'~" -2 \\ i """" " ."~, , .J , -. c 0 , 1 5 Gradlen t :l (U rHtl 2.5 of Me.n1 ) S Figure 5: Left: Semi-log plot of histogram of 1/J, with Gaussian for comparison (dashed). Right: Semi-log plot of histogram of gradients of 1/J, with Rayleigh distribution shown for comparison (dashed). We find that for a value N = 5 (ratio of the negative surround to the positive center), the histograms of 1/J are the closest to Gaussian (see the left of figure 5) . Further, the histogram of gradients of 1/J is very nearly Rayleigh (see the right of 555 556 Ruderman and Bialek figure 5). These are both signatures of a Gaussian distribution. Functionally, this "variance normalization" procedure is similar to contrast gain control found in the retina and LGN (Benardete et ai, '92). Could its role be in "Gaussianizing" the image statistics? 5 Information in the Retina From the measured statistics we can place an upper bound on the amount of information an array of photo receptors conveys about natural images. We make the following assumptions: ? Images are Gaussian with the measured power spectrum. This places an upper bound on the entropy of natural scenes, and thus an upper bound on the information represented. ? The receptors sample images in a hexagonal array with diffraction-limited optics. There is no aliasing. ? Noise is additive, Gaussian, white, and independent of the image. The output of the nth receptor is thus given by Yn = J d2x ?(x) M(x - xn) + 'f/n, where Xn is the location of the receptor, M(x) is the point-spread function of the optics, and 'f/n is the noise. For diffraction-limited optics, M(k) ~ 1 - Ikl/kc, where kc is the cutoff frequency of 60 cycles/degree. In the limit of an infinite lattice, Fourier components are independent, and the total information is the sum of the information in each component: += 47J" Ac fkCdkklog[1+A1 2 IM (k)1 2 S(k)]. u Jo c Here I is the information per receptor, Ac is the area of the unit cell in the lattice, and u 2 is the variance of the noise. We take S(k) = A/k 2 - fJ , with A and 'f/ taking their measured values, and express the noise level in terms of the signal-to-noise ratio in the receptor. In figure 6 we plot the information per receptor as a function of SN R along with the information capacity (per receptor) of the photoreceptor lattice at that SN R, which is C= 1 2 log [1 + SN R] . = The information conveyed is less than 2 bits per receptor per image, even at SN R 1000. The redundancy of this representation is quite high, as seen by the gap between the curves; at least as much of the information capacity is being wasted as is being used . Statistics of Natural Images: Scaling in the Woods I (bits) 5 4 0.5 1 1.5 2 2.5 3 LoglO[SNR) Figure 6: Information per receptor per image (in bits) as a function of 10g(SN R) (lower line). Information capacity per receptor ( upper line). 6 Conclusions We have shown that images from the forest have scale-invariant, highly nonGaussian statistics. This is evidenced by the scaling of the non-Gaussian histograms and the power-law form of the power spectrum. Local linear filtering produces values with quite exponential probability distributions. In order to "Gaussianize," we must use a nonlinear filter which acts as a gain control. This is analogous to contrast gain control, which is seen in the mammalian retina. Finally, an array of receptors which encodes these natural images only conveys at most a few bits per receptor per image of information, even at high SN R. At an image rate of 50 per second, this places an information requirement of less than about 100 bits per second on a foveal ganglion cell. Appendix Snapshots were gathered using a Sony Mavica MVC-5500 still video camera equipped with a 9.5-123.5mm zoom lens. The red, green, and blue signals were combined according to the standard CIE formula Y = 0.59 G + 0.30 R + 0.11 B to produce a grayscale value at each pixel. The quantity Y was calibrated against incident luminance to produce the image intensity I(x). The images were cropped to the central 256 x 256 region. The dataset consists of 45 images taken at a 15mm focal length (images subtend 15 0 of visual angle) and 25 images at an 80mm focal length (3 0 of visual angle) . All images were of distant objects to avoid problems of focus. Images were chosen by placing the camera at a random point along a path and rotating the field of view until no nearby objects appeared in the frame. The camera was tilted by less than 10 0 up or down in an effort to avoid sky and ground. The forested environment (woods in New Jersey in springtime) consisted mainly of trees, rocks, hillside, and a stream. 557 558 Ruderman and Bialek Acknowledgements We thank H. B. Barlow, B. Gianulis, A. J. Libchaber, M. Potters, R. R. de Ruyter van Stevenink, and A. Schweitzer. Work was supported in part by a fellowship from the Fannie and John Hertz Foundation (to D.L.R.). References J .J. Atick and N. Redlich. Towards a theory of early visual processing Neural Computation, 2:308, 1990. E. A. Benardete, E. Kaplan, and B. W. Knight. Contrast gain control in the primate retina: P cells are not X-like, some M-cells are. Vis. Neuosci., 8:483-486, 1992. W. Bialek, D. L. Ruderman, and A. Zee. The optimal sampling of natural images: a design principle for the visual system?, in Advances in Neural Information Processing systems, 3, R. P. Lippman, J. E. Moody and D. S. Touretzky, eds., 1991. G. J. Burton and I. R. Moorhead. Color and spatial structure in natural scenes. Applied Optics, 26:157-170, 1987. D. J. Field. Relations between the statistics of natural images and the response properties of cortical cells. I. Opt. Soc. Am. A, 4:2379, 1987. J. H. van Hateren. Theoretical predictions of spatiotemporal receptive fields of fly LMCs, and experimental validation. I. Compo Physiol. A, 171:157-170, 1992. S. B. Laughlin. A simple coding procedure enhances a neuron's information capacity. Z. Naturforsh., 36c:910-912, 1981. M. V. Srinivasan, S. B. Laughlin, and A. Dubs. Predictive coding: a fresh view of inhibition in the retina. Proc. R. Soc. Lond. B, 216:427-459, 1982.
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When Will a Genetic Algorithm Outperform Hill Climbing? Melanie Mitchell Santa Fe Institute 1660 Old Pecos Trail, Suite A Santa Fe, NM 87501 John H. HoUand Dept. of Psychology University of Michigan Ann Arbor, MI 48109 Stephanie Forrest Dept. of Computer Science University of New Mexico Albuquerque, NM 87131 Abstract We analyze a simple hill-climbing algorithm (RMHC) that was previously shown to outperform a genetic algorithm (GA) on a simple "Royal Road" function. We then analyze an "idealized" genetic algorithm (IGA) that is significantly faster than RMHC and that gives a lower bound for GA speed. We identify the features of the IGA that give rise to this speedup, and discuss how these features can be incorporated into a real GA. 1 INTRODUCTION Our goal is to understand the class of problems for which genetic algorithms (GA) are most suited, and in particular, for which they will outperform other search algorithms. Several studies have empirically compared GAs with other search and optimization methods such as simple hill-climbing (e.g., Davis, 1991), simulated annealing (e.g., Ingber & Rosen, 1992), linear, nonlinear, and integer programming techniques, and other traditional optimization techniques (e.g., De Jong, 1975). However, such comparisons typically compare one version of the GA with a second algorithm on a single problem or set of problems, often using performance criteria which may not be appropriate. These comparisons typically do not identify the features that led to better performance by one or the other algorithm, making it hard to distill general principles from these isolated results. In this paper we look in depth at one simple hill-climbing method and an idealized form of the GA, in order to identify some general principles about when and why a GA will outperform hill climbing. 51 52 Mitchell, Holland, and Forrest 81 = 11111111??????????????????????????????????????????????.......... j C1 =8 82 = ????????11111111??????????????????????????????????????????...... j C2 = 8 83 = ????????????????11111111??????????????????????????????.......... j C3 =8 84 = ????????????????????????11111111??????????????????????.......... ; C4 =8 85 = ????????????????????????????????11111111????????????????........ ; Cs = 8 86 = ????????????????????????????????????????11111111??????.......... ; C6 =8 87 ????????????????????????????????????????????????11111111? .......; Cs C7 = 8S = = ...................................................... ??11111111; =8 8 8~t=1111111111111111111111111111111111111111111111111111111111111111 Figure 1: Royal Road function Rl. In previous work we have developed a class of fitness landscapes (the "Royal Road" functions; Mitchell, Forrest, & Holland, 1992; Forrest & Mitchell, 1993) designed to be the simplest class containing the features that are most relevant to the performance of the GA. One of our purposes in developing these landscapes is to carry out systematic comparisons with other search methods. A simple Royal Road function, R l , is shown in Figure 1. Rl consists of a list of partially specified bit strings (schemas) Si in which '*' denotes a wild card (either o or 1). Each schema is given with a coefficient Ci. The order of a schema is the number of defined (non-'*') bits. A bit string x is said to be an instance of a schema 8, x E 8, if x matches s in the defined positions. The fitness Rl(X) of a bit string x is defined as follows: 8, Rl(X) {I =~ ~ CiOi(X), where o,(x) = 0 , E if x Si otherwise. For example, if x is an instance of exactly two of the order-8 schemas, Rl (x) Likewise, Rl (111 ... 1) = 64. = 16. The Building Block Hypothesis (Holland, 1975/1992) states that the GA works well when instances of low-order, short schemas ("building blocks") that confer high fitness can be recombined to form instances of larger schemas that confer even higher fitness. Given this hypothesis, we initially expected that the building-block structure of Rl would layout a "royal road" for the GA to follow to the optimal string. We also expected that simple hill-climbing schemes would perform poorly since a large number of bit positions must be optimized simultaneously in order to move from an instance of a lower-order schema (e.g., 11111111** ... *) to an instance of a higher-order intermediate schema (e.g., 11111111*****?*?11111111**... *). However both these expectations were overturned (Forrest & Mitchell, 1993). In our experiments, a simple GA (using fitness-proportionate selection with sigma scaling, single-point crossover, and point mutation) optimized Rl quite slowly, at least in part because of "hitchhiking": once an instance of a higher-order schema is discovered, its high fitness allows the schema to spread quickly in the population, with Os in other positions in the string hitchhiking along with the Is in the schema's defined positions. This slows down the discovery of schemas in the other positions, especially those that are close to the highly fit schema's defined positions. Hitchhiking can in general be a serious bottleneck for the GA, and we observed similar effects When Will a Genetic Algorithm Outperform Hill Climbing? Table 1: Mean and median number of function evaluations to find the optimum string over 200 runs of the GA and of various hill-climbing algorithms on R 1 . The standard error is given in parentheses. in several variations of our original GA. Our other expectation-that the GA would outperform simple hill-climbing on these functions-was also proved wrong. Forrest and Mitchell (1993) compared the GA's performance on a variation of Rl with three different hill-climbing methods: steepest ascent hill-climbing (SAHC), next-ascent hill-climbing (NAHC), and a zero-temperature Monte Carlo method, which Forrest and Mitchell called ''random mutation hill-climbing" (RMHC). In RMHC, a string is chosen at random and its fitness is evaluated. The string is then mutated at a randomly chosen single locus, and the new fitness is evaluated. If the mutation leads to an equal or higher fitness, the new string replaces the old string. This procedure is iterated until the optimum has been found or a maximum number of function evaluations has been performed. Here we have repeated these experiments for R 1 . The results (similar to those given for R2 in Forrest & Mitchell, 1993) are given in Table 1. We compare the mean and median number of function evaluations to find the optimum string rather than mean and median absolute run time, because in almost all GA applications (e.g., evolving neural-network architectures), the time to perform a function evaluation vastly dominates the time required to execute other parts of the algorithm. For this reason, we consider all parts of the algorithm excluding the function evaluations to take negligible time. The results on SAHC and NAHC were as expected-while the GA found the optimum on RI in an average of 61,334 function evaluations, neither SAHC nor NAHC ever found the optimum within the maximum of 256,000 function evaluations. However, RMH C found the optimum on Rl in an average of 6179 function evaluationsnearly a factor often faster than the GA. This striking difference on landscapes originally designed to be "royal roads" for the GA underscores the need for a rigorous answer to the question posed earlier: "Under what conditions will a GA outperform other search algorithms, such as hill climbing?" 2 ANALYSIS OF RMHC AND AN IDEALIZED GA To begin to answer this question, we analyzed the RMHC algorithm with respect to R 1 ? Suppose the fitness function c,onsists of N adjacent blocks of K Is each (in RI, N = 8 and K = 8). What is the expected time (number of function evaluations) E(K, N) to find the optimum string of allIs? We can first ask a simpler question: what is the expected time E(K, 1) to find a single block of K Is? A Markov-chain analysis (not given here) yields E(K, 1) slightly larger than 2K , converging slowly to 2K from above as K -+ 00 (Richard Palmer, personal communication). For S3 54 Mitchell, Holland, and Forrest example, for K =8, E(K, 1) = 301.2. Now suppose we want RMHC to discover a string with N blocks of K Is. The time to discover a first block of K Is is E(K, 1), but, once it has been found, the time to discover a second block is longer, since many of the function evaluations are "wasted" on testing mutations inside the first block. The proportion of non-wasted mutations is (K N - K) / K N; this is the proportion of mutations that occur in the KN - K positions outside the first block. The expected time E(K, 2) to find a second block is E(K, 1) + E(K, l)[KN/(KN - K)]. Similarly, the total expected time is: E(K,N) N N = E(K, 1) + E(K, 1) N _ 1 + ... + E(K, 1) N _ (N _ 1) [ 1+ 31+ ... + 1] E(K,l)N 1 + "2 N . (1) (The actual value may be a bit larger, since E(K,l) is the expected time to the first block, whereas E(K, N) depends on the worst time for the N blocks.) Expression (1) is approximately E(K, l)N(logN + r), where r is Euler's constant. For K 8, N 8, the value of expression (1) is 6549. When we ran RMHC on the Rl function 200 times, the average number of function evaluations to the optimum was 6179, which agrees reasonably well with the expected value. = = Could a GA ever do better than this? There are three reasons why we might expect a GA to perform well on Rl. First, at least theoretically the GA is fast because of implicit parallelism (Holland, 1975/1992): each string in the population is an instance of many different schemas, and if the population is large enough and is initially chosen at random, a large number of different schemas-many more than the number of strings in the population-are being sampled in parallel. This should result in a quick search for short, low-order schemas that confer high fitness. Second, fitness-proportionate reproduction under the GA should conserve instances of such schemas. Third, a high crossover rate should quickly combine instances oflow-order schemas on different strings to create instances of longer schemas that confer even higher fitness. Our previous experiments (Forrest & Mitchell, 1993) showed that the simple GA departed from this "in principle" behavior. One major impediment was hitchhiking, which limited implicit parallelism by fixing certain schema regions sub optimally. But if the GA worked exactly as described above, how quickly could it find the optimal string of Rl? To answer this question we consider an "idealized genetic algorithm" (IGA) that explicitly has the features described above. The IGA knows ahead of time what the desired schemas are, and a "function evaluation" is the determination of whether a given string contains one or more of them. In the IGA, at each time step a single string is chosen at random, with uniform probability for each bit. The string is "evaluated" by determining whether it is an instance of one or more of the desired schemas. The first time such a string is found, it is sequestered. At each subsequent discovery of an instance of one or more not-yet-discovered schemas the new string is instantaneously crossed over with the sequestered string so that the sequestered string contains all the desired schemas that have been discovered so far. This procedure is unusable in practice, since it requires knowing a priori which schemas are relevant, whereas in general an algorithm such as the GA or RMHC When Will a Genetic Algorithm Outperform Hill Climbing? directly measures the fitness of a string, and does not know ahead of time which schemas contribute to high fitness. However, the idea behind the GA is to do implicitly what the IGA is able to do explicitly. This idea will be elaborated below. Suppose again that our desired schemas consist of N blocks of K 1s each. What is the expected time (number of function evaluations) until the saved string contains all the desired schemas? Solutions have been suggested by G. Huber (personal communication), and A. Shevoroskin (personal communication), and a detailed solution is given in (Holland, 1993). The main idea is to note that the probability of finding a single desired block 8 on a random string is p = 1/2K, and the probability of finding s by time t is 1 - (1 - p)t. Then the probability PN(t) that all N blocks have been found by time tis: PN(t) = (1 - (1 - p)t)N, and the probability PN(t) that all N blocks are found at exactly time tis: PN(t) =[1- (1- p)t]N - [1- (1- p)t-l]N. The expected time is then 00 EN = 2:t ([1- (1- p)t]N - [1- (1- p)t-l]N). 1 This sum can be expanded and simplified, and with some work, along with the approximation (1- p)n ~ 1- np for small p, we obtain the following approximation: EN ~ (lip) N 1 I:; ~ 2K(logN + 1)? n=l The major point is that the IGA gives an expected time that is on the order of 2K log N, where RMHC gives an expected time that is on the order of 2K N log N, a factor of N slower. This kind of analysis can help us predict how and when the G A will outperform hill climbing. What makes the IGA faster than RMHC? A primary reason is that the IGA perfectly implements implicit parallelism: each new string is completely independent of the previous one, so new samples are given independently to each schema region. In contrast, RMHC moves in the space of strings by single-bit mutations from an original string, so each new sample has all but one of the same bits as the previous sample. Thus each new string gives a new sample to only one schema region. The IGA spends more time than RMHC constructing new samples, but since we are counting only function evaluations, we ignore the construction time. The IGA "cheats" on each function evaluation, since it knows exactly the desired schemas, but in this way it gives a lower bound on the number of function evaluations that the GA will need on this problem. Independent sampling allows for a speed-up in the IGA in two ways: it allows for the possibility of more than one desirable schema appearing simultaneously on a given sample, and it also means that there are no wasted samples as there are in RMHC. Although the comparison we have made is with RMHC, the IGA will also be significantly faster on Rl (and similar landscapes) than any hill-climbing 55 56 Mitchell, Holland, and Forrest Levell: Level 2: Level 3: Level 4: 81 82 83 8, 85 8S 81 8a 89 810 811 812 813 8H 815 81S (81 82) (83 8,) (85 8S) (81 8a) (89 810) (811 812) (813 81') (815 81S) (81 82 (81 82 83 8,) (85 8S 83 8, 85 8S 81 8a) (89 810 81 8a) (89 810 811 812) (813 8H 811 812 813 8H 815 81S) 815 81S) Figure 2: Royal Road Function R4. method that works by mutating single bits (or a small number of bits) to obtain new samples. The hitchhiking effects described earlier also result in a loss of independent samples for the real GA. The goal is to have the real GA, as much as possible, approximate the IGA. Of course, the IGA works because it explicitly knows what the desired schemas are; the real GA does not have this information and can only estimate what the desired schemas are by an implicit sampling procedure. But it is possible for the real GA to approximate a number of the features of the IGA. Independent samples: The population size has to be large enough, the selection process has to be slow enough, and the mutation rate has to be sufficient to make sure that no single locus is fixed at a single value in every (or even a large majority) of strings in the population. Sequestering desired schemas: Selection has to be strong enough to preserve desired schemas that have been discovered, but it also has to be slow enough (or, equivalently, the relative fitness of the non-overlapping desirable schemas has to be small enough) to prevent significant hitchhiking on some highly fit schemas, which can crowd out desired schemas in other parts of the string. Instantaneous crossover: The crossover rate has to be such that the time for a crossover to occur that combines two desired schemas is small with respect to the discovery time for the desired schemas. Speed-up over RMHC: The string length (a function of N) has to be large enough to make the N speed-up factor significant. These mechanisms are not all mutually compatible (e.g., high mutation works against sequestering schemas), and thus must be carefully balanced against one another. A discussion of how such a balance might be achieved is given in Holland (1993). 3 RESULTS OF EXPERIMENTS As a first step in exploring these balances, we designed R3, a variant of our previous function R2 (Forrest & Mitchell, 1993), based on some of the features described above. In R3 the desired schemas are 81-88 (shown in Fig. 1) and combinations of them, just as in R2. However, in R3 the lowest-level order-8 schemas are each separated by "introns" (bit positions that do not contribute to fitness-see Forrest & Mitchell, 1993; Levenick, 1991) of length 24. In R3, a string that is not an instance of any desired schema receives fitness 1.0. Every time a new level is reached-i.e., a string is found that is an instance of one or more schemas at that level-a small increment u is added to the fitness. Thus strings at level 1 (that are instances of at least one level-l schema) have fitness 1 + u, strings at level 2 have fitness 1 + 2u, etc. For our experiments we set u 0.2. = When Will a Genetic Algorithm Outperfonn Hill Climbing? Table 2: R4: Mean function evaluations (over 37 runs) to attain each level for the GA and for RMHC. In the GA runs, the number of function evaluations is sampled every 500 evaluations, so each value is actually an upper bound for an interval of length 500. The standard errors are in parentheses. The percentage of runs which reached each level is shown next to the heading "% runs." Only runs which successfully reached a given level were included in the function evaluation calculations for that level. The purpose of the introns was to help maintain independent samples in each schema position by preventing linkage between schema positions. The independence of samples was also helped by using a larger population (2000) and the much slower selection scheme given by the function. In preliminary experiments on R3 (not shown) hitchhiking in the GA was reduced significantly, and the population was able to maintain instances of all the lowest-level schemas throughout each run. Next, we studied R4 (illustrated in Figure 2). R4 is identical to R3, except that it does not have introns. Further, R4 is defined over 128-bit strings, thus doubling the size of the problem. In preliminary runs on R4, we used a population size of 500, a mutation rate of 0.005 (mutation always flips a bit), and multipoint crossover, where the number of crossover points for each pair of parents was selected from a Poisson distribution with mean 2.816. Table 2 gives the mean number of evaluations to reach levels 1, 2, and 3 (neither algorithm reached level 4 within the maximum of 10 6 function evaluations). As can be seen, the time to reach level one is comparable for the two algorithms, but the GA is much faster at reaching levels 2 and 3. Further, the GA discovers level 3 approximately twice as often as RMHC. As was said above, it is necessary to balance the maintenance of independent samples with the sequestering of desired schemas. These preliminary results suggest that R4 does a better job of maintaining this balance than the earlier Royal Road functions. Working out these balances in greater detail is a topic of future work. 4 CONCLUSION We have presented analyses of two algorithms, RMHC and the IGA, and have used the analyses to identify some general principles of when and how a genetic algorithm will outperform hill climbing. We then presented some preliminary experimental results comparing the GA and RMHC on a modified Royal Road landscape. These analyses and results are a further step in achieving our original goals-to design the simplest class of fitness landscapes that will distinguish the GA from other search methods, and to characterize rigorously the general features of a fitness landscape that make it suitable for a GA. 57 S8 Mitchell, Holland, and Forrest Our modified Royal Road landscape R4, like Rl, is not meant to be a realistic example of a problem to which one might apply a GA. Rather, it is meant to be an idealized problem in which certain features most relevant to GAs are explicit, so that the GA's performance can be studied in detail. Our claim is that in order to understand how the GA works in general and where it will be most useful, we must first understand how it works and where it will be most useful on simple yet carefully designed landscapes such as these. The work reported here is a further step in this direction. Acknowledgments We thank R. Palmer for suggesting the RMHC algorithm and for sharing his careful analysis with us, and G. Huber for his assistance on the analysis of the IGA. We also thank E. Baum, L. Booker, T. Jones, and R. Riolo for helpful comments and discussions regarding this work. We gratefully acknowledge the support of the Santa Fe Institute's Adaptive Computation Program, the Alfred P. Sloan Foundation (grant B1992-46), and the National Science Foundation (grants IRI-9157644 and IRI-9224912). References L. D. Davis (1991). Bit-climbing, representational bias, and test suite design. In R. K. Belew and L. B. Booker (eds.), Proceedings of the Fourth International Conference on Genetic Algorithms, 18-23. San Mateo, CA: Morgan Kaufmann. K. A. De Jong (1975). An Analysis of the Behavior of a Class of Genetic Adaptive Systems. Unpublished doctoral dissertation. University of Michigan, Ann Arbor, MI. S. Forrest and M. Mitchell (1993). Relative building-block fitness and the buildingblock hypothesis. In D. Whitley (ed.), Foundations of Genetic Algorithms 2, 109126. San Mateo, CA: Morgan Kaufmann. J. H. Holland (1975/1992). Adaptation in Natural and Artificial Systems. Cambridge, MA: MIT Press. (First edition 1975, Ann Arbor: University of Michigan Press.) J. H. Holland (1993). Innovation in complex adaptive systems: Some mathematical sketches. Working Paper 93-10-062, Santa Fe Institute, Santa Fe, NM. L. Ingber and B. Rosen (1992). Genetic algorithms and very fast simulated reannealing: A comparison. Mathematical Computer Modelling, 16 (11),87-100. J. R. Levenick (1991). Inserting introns improves genetic algorithm success rate: Taking a cue from biology. In R. K. Belew and L. B. Booker (eds.), Proceedings of the Fourth International Conference on Genetic Algorithms, 123-127. San Mateo, CA: Morgan Kaufmann. M. Mitchell, S. Forrest, and J. H. Holland (1992). The royal road for genetic algorithms: Fitness landscapes and GA performance. In F. J. Varela and P. Bourgine (eds.), Proceedings of the First European Conference on Artificial Life, 245-254. Cambridge, MA: MIT Press.
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Agnostic PAC-Learning of Functions on Analog Neural Nets (Extended Abstract) Wolfgang Maass Institute for Theoretical Computer Science Technische Universitaet Graz Klosterwiesgasse 32/2 A-BOlO Graz, Austria e-mail: [email protected] Abstract: There exist a number of negative results ([J), [BR), [KV]) about learning on neural nets in Valiant's model [V) for probably approximately correct learning ("PAC-learning"). These negative results are based on an asymptotic analysis where one lets the number of nodes in the neural net go to infinit.y. Hence this analysis is less adequate for the investigation of learning on a small fixed neural net. with relatively few analog inputs (e.g. the principal components of some sensory data). The latter type of learning problem gives rise to a different kind of asymptotic question: Can the true error of the neural net be brought arbitrarily close to that of a neural net with "optimal" weights through sufficiently long training? In this paper we employ some new arguments ill order to give a positive answer to this question in Haussler's rather realistic refinement of Valiant's model for PAC-learning ([H), [KSS)). In this more realistic model no a-priori assumptions are required about the "learning target" , noise is permitted in the training data, and the inputs and outputs are not restricted to boolean values. As a special case our result implies one of the first positive results about learning on multi-layer neural net.s in Valiant's original PAC-learning model. At the end of this paper we will describe an efficient parallel implementation of this new learning algorit.hm. 311 312 Maass We consider multi-layer high order feedforward neural nets N with arbitrary piecewise polynomial activation functions . Each node g of fan-in m > 0 in N is called a computation node. It is labelled by some polynomial Q9(Yl, ... , Ym) and some piecewise polynomial activation funetion R --+ R. We assume that consists of finitely many polynomial pieces and that its definition involves only rational parameters. The computation node g computes the function (Yl, ... ,Ym) t-+ (Q9 (Yl, ... , Ym)) from R minto R. The nodes of fan-in 0 in N ("input nodes") are labelled by variables Xl, ... , Xk. The nodes g of fan-out 0 in N ("output nodes") are labelled by 1, ... , I. We assume that the range B of their activation functions is bounded. Any parameters that occur in the definitions of the are referred to as architectural parameters of N. ,9 : ,9 ,9 ,9 ,9 The coefficient.s of all the polynomials Q9 are called the programmable parameters (or weights) of N. Let w be the number of programmable parameters of N. For any assignment a E R W to the programmable parameters of N the network computes a function from Rk into RI which we will denote by N!!... We write Q n for the set of rational numbers that can be written as quotients of integers with bit-length::; n. For;,. = (Zl, .. . ,ZI) E RI we write 11;,.lh I for E Iz;l. ;=1 Let F : Rk --+ RI be some arbitrary function, which we will view as a "prediction rule". For any given instance (~, 1/) E R k X Rl we measure the error of F by "F(~) - 111 II? For any distribution A over some subset of R k x Rl we measure the true error of F with regard to A by E(?,Y)EA [IIF(~) -lllll]' i.e. the expected value of the error of F with respect to distribution A. Theorelll 1: Let N be some arbitrary high order feedforward neural net with piecewise polynomial activation functions. Let tv be the number of programmable parameters of N (we assume that w = 0(1)). Then one can construct from N some first order feedforward neural net jj with piecewise linear activation functions and the quadratic activation function ,(x) = x2, which has the following property: There exists a polynomial m(:, and a learning algorithm LEARN such that for any given ?, 6, E (0,1) and s, n E N and any distribution A over Q~ x (Qn n B)l the following holds: For any sample ( ({Xi, Yi) )i=l, ... ,m of m ~ m(:, points that are independently drawn according to A the algorithm LEARN computes in polynomially in m, s, n computation steps an assignment ii of rational numb~rs to the programmable parameters of jj such that with probability ~ 1 - 6: i) = or in other words: The true error of jjli with regard to A is within that can be achieved by any N!!.. with a E Q:. i) ? of the least possible true error Remarks a) One can easily see (see [M 93b] for details) that Theorem 1 provides a positive learning result in Haussler's extension of Valiant's model for PAClearning ([H], [KSS]). The "touchstone class" (see [KSS)) is defined as the Agnostic PAC-Learning of Functions on Analog Neural Nets class of function f : Rk -+ Rl that are computable on N with programmable parameters from Q. This fact is of some general interest, since so far only very few positive results are known for any learning problem in this rather realistic (but quite demanding) learning model. b) Consider the special case where the distribution A over Q~ x (Qn of the form n B)l is D(~) ADIO'T(~' y) = { 0 otherwise for some arbitrary distribution D over the domain Q~ and some arbitrary Q: T E Q~. Then the term inf EC~IY}EA[IINQ.(~) a EQw 3 -lllhl is equal to O. Hence the preceding theorem states that with learning algorithm LEARN the "learning network" jj can "learn" with arbitrarily small true error any target function NQT that is computable on N with rational "weights" aT' Thus by choosing N sufficiently large, one can guarantee that the associated "learning network" jj can learn any target-function that might arise in the context of a specific learning problem. In addition the theorem also applies to the more realistic situation where the learner receives examples (~, y) of the form (~, NQT (~)+ noise), or even if there exists no "target function" NQT that would "explain" the actual distribution A of examples (~, ll) ("agnostic learning"). The proof of Theorem 1 is mathematically quite involved, and we can give here only an outline. It consists of three steps: (1) Construction of the auxiliary neural net fl . (2) Reducing the optimization of weights in jj for a given distribution A to a finite nonlinear optimization problem. (3) Reducing the resulting finite nonlinear optimization problem to a family of finite linear optimization problems. ,9 Details to step (1): If the activation functions in N are piecewise linear and all computation nodes in N have fan-out::; 1 (this occurs for example if N has just one hidden layer and only one output) then one can set fI := N. If the are piecewise linear but not all computation nodes in N have fan-out::; lone defines jj as the tree of the same depth as N, where sub circuits of computation nodes with fan-out m > 1 are duplicated 111 times. The activation functions remain unchanged in this case. ,9 ,9 If the activation functions are piecewise polynomial but not piecewise linear, one has to apply a rather complex construction which is described in detail in the Journal version of [M 93a]. In any case if has the property that all functions that 313 314 Maass are computable on N can also be computed on N, the depth of N is bounded by a constant, and the size of N is bounded by a polynomial in the size of N (provided that the depth and order of N, as well as the number and degrees of the polynomial pieces of the "'(9 are bounded by a constant). Details to step (2): Since the VC-dimension of a neural net is only defined for neural nets with boolean output, one has to consider here instead the pseudodimension of the function class F that is defined by N. Definition: (see Haussler (H]). Let X be some arbitrary domain, and let F be an arbitrary class of functions from X into R. Then the pseudo-dimension of F is defined by dimp(F) := max{ISI: S ~ X and 3h : S --+ R such that Vb E {O, l}s 31 E F Vx E S (I(x) ~ hex) ~ b(x) = I)}. Note that in the special case where F is a concept class (i.e. all 1 E Fare ?- 1 valued) the pseudo-dimension dimp(F) coincides with the VC-dimension of F. The pseudo-dimension of the function class associated with network architectures N with piecewise polynomial activation functions can be bounded with the help of Milnor's Theorem [Mi] in the same way as the VC-dimension for the case of boolean network output (see [GJ)): Theorenl 2: Consider arbitrary network architectures N of order v with k input nodes, I output nodes, and w programmable parameters. Assume that each gate in N employs as activation function some piecewise polynomial (or piecewise rational) function of degree ~ d with at most q pieces. For some arbitrary p E {I, 2, ...} we define F { 1 : R k+1 --+ R : 30: E R W Vx E Rk V1!. E Rl(l(~,1!.) IINQ'.(.~) -1!.lIp)}? Then one has dimp(F) 0(w 2 10gq) if v, d, 1= 0(1). ? = With the help of the pseudo-dimension one can carry out the desired reduction of the optimization of weights in N (with regard to an arbitrary given distribution A of examples (~, 11.) to a finite optimization problem. Fix some interval [b 1 , b2 ] ~ R such that B ~ [b 1 , b2], b1 < b2, and such that the ranges of the activation functions of the output gates of N are contained in [b 1 , b2]. We define b := I? (b 2 - bt) , and F:= {f :RkX[b 1 ,b 2]I--+[0,b]: 30:ERwV~ERkV1!.E[bl,b2F(f(~,1!.)= IINQ'.(~) - YIII)}? Assume now that parameters c, 6 E (0,1) with c ~ band s, n E N have been -fixed. For convenience we assume that s is sufficiently large so that all architectural parameters in N are from Qs (we assume that all architectural parameters in Ai are rational). We define 257?b 2 ( . 33eb 771 ?'"8 := c 2 2? dllnp(F) .Inc - + In"8 . ( 11) 8) By Corollary 2 of Theorem 7 in Haussler [H) one has for 771 ~ 771(:, i), I< := y~57 E (2,3), and any distribution A over Q~ x (Qn n [b 1 ,b2))1 1 ~ c (1) P7'(EAm[{31 E F: 1(771 L...J /(!1.,1!.?) - E(~,.~)EA[f(!1.'1!.)]I > I<}] < 6, (~,~)E( Agnostic PAC-Learning of Functions on Analog Neural Nets where E(~.!!)EA [f(~, u)] is the expectation of f(~, u) with regard to distribution A. We design an algorithm LEARN that computes for any mEN, any sample (= ((Xi,yi))iE{l ?..? m} E (Q~ x (Qn n [b 1 ,b 2])I)m, and any given sEN in polynomially in m, s, n computation steps an assignment a of rational numbers to the parameters in j\( such that the function it that is computed by j\(!i. satisfies m 1 m _ 2 inf ~ ~ IIN?(xd - ydh? (2) Tn Ilh(xd - ydh ~ (1 - ]{)e + w m~ -i=l a E Q" i=l This suffices for the proof of Theorem 1, since (1) and (2) together imply that, for any distribution A over Q~ x (Qn n [b 1 , b2])1 and any m ~ m( 1, i), with probability ~ 1 - 6 (with respect to the random drawing of ( E Am) the algorithm LEARN outputs for inputs ( and s an assignment a of rational numbers to the parameters in j\( such that L E(~'1!:)EA[IIN!i.(~) -ulld ~ c + inf a E Q~ E(!:.Y)EA[IIN?(~) - -ulh]? Details to step (3): The computation of weights a that satisfy (2) is nontrivial, since this amounts t.o solving a nonlinear optimization problem. This holds even if each activation function in N is piecewise linear, because weights from successive layers are multiplied with each other. We employ a method from [M 93a] that allows us to replace the nonlinear conditions on the programmable parameters a of N by linear conditions for a transformed set .?, f3 of parameters. We simulate j\(? by another network architecture N[?]~ (which one may view as a "normal form" for j\(?) that uses the same graph (V, E) as N, but different activation functions and different values f3 for its programmable parameters. The activation functions of N[.?] depend on IVI new architectural parameters .? E RI vI, which we call scaling parameters in the following. Whereas the architectural parameters of a network architecture are usually kept fixed, we will be forced to change the scaling parameters of N along with its programmable parameters f3. Although this new network architecture has the disadvantage that it requires IVI additional parameters .?, it has the advantage that we can choose in N[?] all weights on edges between computation nodes to be from {-I,O, I}. Hence we can treat them as constants with at most 3 possible values in the system of inequalities that describes computations of N[?]. Thereby we can achieve that all variables that appear in the inqualities that describe computations of N[?J for fixed network inputs (the variables for weights of gates on levell, the variables for the biases of gates on all levels, and the new variables for the scaling parameters .?) appear only linearly in those inqualities. We briefly indicate the construction of N in the case where each activation function "I in N is piecewise linear. For any c > we consider the associated piecewise linear activation function "I c with T;f x E R( "I c (c . x) = c . "I ( x ) ). ? 315 316 Maass Assume that fr is some arbitrary given assignment to the programmable parameters in jj. We transform jjsr through a recursive process into a "normal form" N(?]t in which all weights on edges between computation nodes are from {-I, 0, I}, such that \:fll. E R k (jjsr(ll.) = N(?]t(ll.?) . q Assume that an output gate gout of jjsr receives as input L: aiYi + ao, where i=l al, ... , a q , ao are the weights and the bias of gout (under the assignment a) and Yl, ... ,Yq are the (real valued) outputs of the immediate predecessors g1, ... ,gq of g. For each i E {I, ... , q} with 0i =/:- 0 such that gi is not an input node we replace the activation function "fi of gi by "f!a,l, and we multiply the weights and the bias of gate gi with lail. Finally we replace the weight ai of gate gout by sgn( ad, where sgn(ad := 1 ifai > 0 and sgn(ai) := -1 ifai < o. This operation has the effect that the multiplication with IOj I is carried out before the gate gi (rather than after gj, as done in jjsr), but that the considered output gate gout still receives the same input as before. If aj = 0 we want to "freeze" that weight at O. This can be done by deleting gi and all gates below gi from N. The analogous operations are recursively carried out for the predecessors gi of gout (note however that the weights of gj are no longer the original ones from jjsr, since they have been changed in the preceding step). We exploit here the assumption that each gate in jj has fan-out::; 1. Let f3 consist of the new weights on edges adjacent to input nodes and of the resulting biases of all gates in N. Let f consist of the resulting scaling parameters at the gates of N. Then we have \:f~ E Rk (jjsr(~) = N[.?]t(~?). Furthermore c > 0 for all scaling parameters c in f. At the end of this proof we will also need the fact that the previously described parameter transformation can be inverted, i.e. one can compute from Q, f3 an equivalent weight assignment a for jj (with the original activation functions "f). We now describe how the algorithm LEARN computes for any given sample (= ({Xi,Yi)i=l ..... m E (Q~ x (Q" n[b l ,b 2 W)m and any given sEN with the help of linear programming a new assignment .?, ~ to the parameters in N such that the function It that is computed by N@]i satisfies (2). For that purpose we describe the computations of N for the fixed inputs Xi from the sample ( = ((Xi, Yi) )i=l .. ..,m by polynomially in m many systems L l , . .. , Lp(m) that each consist of Oem) linear inequalities with the transformed parameters Q, f3 as variables. Each system Lj reflects one possibility for employing specific linear pieces of the activation functions in N for specific network inputs Xl, ... , X m , and for employing different combinations of weights from {-I, 0, I} for edges between computation nodes. One can show that it suffices to consider only polynomially in Tn many systems of inequalities L j by exploiting that all inequalities are linear, and that the input space for N has bounded dimension k. Agnostic PAC-Learning of Functions on Analog Neural Nets We now expand each of the systems Lj (which has only 0(1) variables) into a linear programming problem LPj with Oem) variables. We add to Lj for each of the I output nodes IJ of N 2m new variables for i = 1, ... , m, and the 4m inequalities ur, vr tj(xd :S (Y;)II + ui - vi, tj(xd ~ (Ydll + ui - vi, ui ~ 0, vi ~ 0, where ((Xi, Yi) )i=l , .. . ,m is the fixed sample ( and (Yi)1I is that coordinate of Yj which corresponds to the output node IJ of N. In these inequalities the symbol tj(xd denotes the term (which is by construction linear in the variables f, (3) that represents the output of gate IJ for network input Xi in this system Lj. One-should note that these terms tj( Xi) will in general be different for different j, since different linear pieces of the activation functions at preceding gates may be used in the computation of N for the same network input Xi. We expand the system Lj of linear inequalities to a linear programming problemLPj in canonical form by adding the optimization requirement m mmlmlze i=l IJ output node The algorithm LEARN employs an efficient algorithm for linear programming (e.g. the ellipsoid algorithm, see [PS]) in order to compute in altogether polynomially in m, sand n many steps an optimal solution for each of the linear programming problems LP1 , ... , LPp(m). We write h j for the function from Rk into Rl that is computed by N[f]~ for the optimal solution ?, (3 of LPj. The algorithm LEARN m computes ~ ' " Ilhj(xj) mL...J i=l Yilll for j - = 1, . .. ,p(m). Let] be that index for which this expression has a minimal value . Let f, ~ be the associated optimal solution of LPl (i.e. N@)l computes hl). LEARN employs the previously mentioned backwards transformation from f, j3 into values Ii for the programmable parameters of jj such that 'V~ E Rk (jjQ.(~) the algorithm LEARN. = N[f.]l(~)). These values a are given as output of We refer to [M 93b] for the verification that this weight assignment a has the property that is claimed in Theorem 1. We also refer to [M 93b] for the proof in the more general case where the activation functions of N are piecewise polynomial. ? Reillark: The algorithm LEARN can be speeded up substantially on a parallel machine. Furthermore if the individual processors of the parallel machine are allowed to use random bits, hardly any global control is required for this parallel computation. We use polynomially in m many processors. Each processor picks at random one of the systems Lj of linear inequalit.ies and solves the corresponding linear programming problem LPj . Then the parallel machine compares in a "competitive m phase" the costs L: Ilhj(Xi) - ydh i=l - - of the solutions hj that have been computed by the individual processors. It outputs the weights a for jj that correspond to the 317 318 Maass best ones of these solutions hj . If one views the number w of weights in N no longer as a c.onstant, one sees that the number of processores that are needed is simply exponential in w, but that the parallel computation time is polynomial in m and w. Acknowledgements I would like to thank Peter Auer, Phil Long and Hal White for their helpful com- ments. References [BR] A. Blum, R. L. Rivest, "Training a 3-node neural network is NPcomplete", Proc. of the 1988 Workshop on Computational Learning Theory, Morgan Kaufmann (San Mateo, 1988), 9 - 18 [GJ] P. Goldberg, M. Jerrum, "Bounding the Vapnik-Chervonenkis dimension of concept classes parameterized by real numbers", Proc. of the 6th Annual A CM Conference on Computational Learning Theory, 361 [H] [J] [KV] [KSS] [M 93a] [M 93b] [Mi] [PS] [V] - 369. D. Haussler, "Decision theoretic generalizations of the PAC model for neural nets and other learning applications", Information and Computation, vol. 100, 1992, 78 - 150 J. S. Judd, "Neural Network Design and the Complexity of Learning" , MIT-Press (Cambridge, 1990) M. Kearns, L. Valiant, "Cryptographic limitations on learning boolean formulae and finite automata", Proc. of the 21st ACM Symposium on Theory of Computing, 1989,433 - 444 M. J. Kearns, R. E. Schapire, L. M. Sellie, "Toward efficient agnostic learning", Proc. of the 5th A CM Workshop on Computational Learning Theory, 1992, 341 - 352 W. Maass, "Bounds for t.he c.omputational power and learning c.omplexity of analog neural nets" (extended abstract), Proc. of the 25th ACM Symposium on Theory of Computing, 1993,335 - 344. Journal version submitted for publication W. Maass, "Agnostic PAC-learning of functions on analog neural nets" (journal version), to appear in Neural Computation. .J. Milnor, "On the Betti numbers ofreal varieties", Proc. of the American Math. Soc., vol. 15, 1964, 275 - 280 C. H. Papadimitrioll, K. Steiglitz, "Combinatorial Optimization: Algorithms and Complexity" , Prent.ice Hall (Englewood Cliffs, 1982) L. G. Valiant, "A theory of the learnable", Comm. of the ACM, vol. 27, 1984, 1134 - 1142
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Clustering with a Domain-Specific Distance Measure Steven Gold, Eric Mjolsness and Anand Rangarajan Department of Computer Science Yale University New Haven, CT 06520-8285 Abstract With a point matching distance measure which is invariant under translation, rotation and permutation, we learn 2-D point-set objects, by clustering noisy point-set images. Unlike traditional clustering methods which use distance measures that operate on feature vectors - a representation common to most problem domains - this object-based clustering technique employs a distance measure specific to a type of object within a problem domain. Formulating the clustering problem as two nested objective functions, we derive optimization dynamics similar to the Expectation-Maximization algorithm used in mixture models. 1 Introduction Clustering and related unsupervised learning techniques such as competitive learning and self-organizing maps have traditionally relied on measures of distance, like Euclidean or Mahalanobis distance, which are generic across most problem domains. Consequently, when working in complex domains like vision, extensive preprocessing is required to produce feature sets which reflect properties critical to the domain, such as invariance to translation and rotation. Not only does such preprocessing increase the architectural complexity of these systems but it may fail to preserve some properties inherent in the domain. For example in vision, while Fourier decomposition may be adequate to handle reconstructions invariant under translation and rotation, it is unlikely that distortion invariance will be as amenable to this technique (von der Malsburg, 1988). 96 Clustering with a Domain-Specific Distance Measure These problems may be avoided with the help of more powerful, domain-specific distance measures, including some which have been applied successfully to visual recognition tasks (Simard, Le Cun, and Denker, 1993; Huttenlocher et ai., 1993). Such measures can contain domain critical properties; for example, the distance measure used here to cluster 2-D point images is invariant under translation, rotation and labeling permutation. Moreover, new distance measures may constructed, as this was, using Bayesian inference on a model of the visual domain given by a probabilistic grammar (Mjolsness, 1992). Distortion invariant or graph matching measures, so formulated, can then be applied to other domains which may not be amenable to description in terms of features. Objective functions can describe the distance measures constructed from a probabilistic grammar, as well as learning problems that use them. The clustering problem in the present paper is formulated as two nested objective functions: the inner objective computes the distance measures and the outer objective computes the cluster centers and cluster memberships. A clocked objective function is used, with separate optimizations occurring in distinct clock phases (Mjolsness and Miranker, 1993). The optimization is carried out with coordinate ascent/descent and deterministic annealing and the resulting dynamics is a generalization of the ExpectationMaximization (EM) algorithm commonly used in mixture models. 2 2.1 Theory The Distance Measure Our distance measure quantifies the degree of similarity between two unlabeled 2-D point images, irrespective of their position and orientation. It is calculated with an objective that can be used in an image registration problem. Given two sets of points {Xj} and {Yk }, one can minimize the following objective to find the translation, rotation and permutation which best maps Y onto X : Ereg(m, t, 0) = L mjkllXj - t - R(0) . Yk l1 2 jk with constraints: 'Vj L:k mjk =1 , 'Vk L:j mjk = l. Such a registration permits the matching of two sparse feature images in the presence of noise (Lu and Mjolsness, 1994). In the above objective, m is a permutation matrix which matches one point in one image with a corresponding point in the other image. The constraints on m ensure that each point in each image corresponds to one and only one point in the other image (though note later remarks regarding fuzziness). Then given two sets of points {Xj} and {Yk } the distance between them is defined as: D({Xj}, {Yk}) min(Ereg(m,t,0) I constraints on m) . (1) = m,t,e This measure is an example of a more general image distance measure derived in (Mjolsness, 1992): d(x, y) = mind(x, T(y)) E [0,00) T where T is a set of transformation parameters introduced by a visual grammar. In (1) translation, rotation and permutation are the transformations, however scaling 97 98 Gold, Mjolsness, and Rangarajan or distortion could also have been included, with consequent changes in the objective function. The constraints are enforced by applying the Potts glass mean field theory approximations (Peterson and Soderberg,1989) and then using an equivalent form of the resulting objective, which employs Lagrange multipliers and an x log x barrier function (as in Yuille and Kosowsky, 1991): Ereg(m, t, 8) L: mjkllXj - t - R(8) ? YkW jk + f31 L: mjk(logmjk -1) jk +L:J.tj(L:mjk-1)+L:vk(L:mjk-1). j k k (2) j In this objective we are looking for a saddle point. (2) is minimized with respect to m, t, and 8, which are the correspondence matrix, translation,and rotation, and is maximized with respect to J.t and v, the Lagrange multipliers that enforce the row and column constraints for m. 2.2 The Clustering Objective The learning problem is formulated as follows: Given a set of I images, {Xd, with each image consisting of J points, find a set of A cluster centers {Ya } and match variables {Mia} defined as if Xi is in Ya's cluster otherwise, M. - {I la 0 such that each image is in only one cluster, and the total distance of all the images from their respective cluster centers is minimized. To find {Ya} and {Mia} minimize the cost function, Ec/U8ter(Y, M) MiaD(Xi, Ya) , ia with the constraint that 'Vi l:a Mia = 1. D(Xi, Y a), the distance function, is defined by (1). = L: The constraints on M are enforced in a manner similar to that described for the distance measure, except that now only the rows of the matrix M need to add to one, instead of both the rows and the columns. The Potts glass mean field theory method is applied and an equivalent form of the resulting objective is used: 1 Ec/u8ter(Y, M) = ~ MiaD(Xi, Ya) + f3 ~ Mia (log Mia - 1) + ~ Ai(L: Mia -1) ta za z a (3) Replacing the distance measure by (2), we derive: L: Ec/u8ter(Y, M, t, 8, m) = L:Mia miajkllXij - tia - R(8ia) . Ya k11 2 + ia jk ~[f3~ ~k miajk(logmiajk za J 1) + ~ J.tiaj(L: k miajk - 1) + J L:Viak(L:miajk -1)]+ -;- L:Mia(logMia -1)+ k j M ia L: Ai(L:a Mia -1) i Clustering with a Domain-Specific Distance Measure A saddle point is required. The objective is minimized with respect to Y, M, m, t, 0, which are respectively the cluster centers, the cluster membership matrix, the correspondence matrices, the rotations, and the translations. It is maximized with respect to A, which enforces the row constraint for M, and J..l and v which enforce the column and row constraints for m. M is a cluster membership matrix indicating for each image i, which cluster a it falls within, and mia is a permutation matrix which assigns to each point in cluster center Ya a corresponding point in image Xi. 0ia gives the rotation between image i and cluster center a. Both M and mare fuzzy, so a given image may partially fall within several clusters, with the degree of fuzziness depending upon 13m and 13M. Therefore, given a set of images, X, we construct Ecltuter and upon finding the appropriate saddle point of that objective, we will have Y, their cluster centers, and M, their cluster memberships. 3 The Algorithm 3.1 Overview - A Clocked Objective Function The algorithm to minimize the above objective consists of two loops - an inner loop to minimize the distance measure objective (2) and an outer loop to minimize the clustering objective (3). Using coordinate descent in the outer loop results in dynamics similar to the EM algorithm for clustering (Hathaway, 1986). (The EM algorithm has been similarly used in supervised learning [Jordan and Jacobs, 1993].) All variables occurring in the distance measure objective are held fixed during this phase. The inner loop uses coordinate ascent/descent which results in repeated row and column projections for m. The minimization of m, t and 0 occurs in an incremental fashion, that is their values are saved after each inner loop call from within the outer loop and are then used as initial values for the next call to the inner loop. This tracking of the values of m, t, and 0 in the inner loop is essential to the efficiency of the algorithm since it greatly speeds up each inner loop optimization. Each coordinate ascent/descent phase can be computed analytically, further speeding up the algorithm. Local minima are avoided, by deterministic annealing in both the outer and inner loops. The resulting dynamics can be concisely expressed by formulating the objective as a clocked objective function, which is optimized over distinct sets of variables in phases, Ecloc1ced = Ecl'luter( (((J..l, m)A , (v, m)A)$' 0 A , t A)$, (A, M)A, yA)$ with this special notation employed recursively: E{x, Y)$ : coordinate descent on x, then y, iterated (if necessary) xA : use analytic solution for x phase The algorithm can be expressed less concisely in English, as follows: Initialize t, 0 to zero, Y to random values Begin Outer Loop Begin Inner Loop Initialize t, 0 with previous values 99 100 Gold, Mjolsness, and Rangarajan Find m, t, e for each ia pair: Find m by softmax, projecting across j, then k, iteratively Find e by coordinate descent Find t by coordinate descent End Inner Loop If first time through outer loop i 13m and repeat inner loop Find M ,Y using fixed values of m, t, e determined in inner loop: Find M by soft max, across i Find Y by coordinate descent i 13M, 13m End Outer Loop When the distances are calculated for all the X - Y pairs the first time time through the outer loop, annealing is needed to minimize the objectives accurately. However on each succeeding iteration, since good initial estimates are available for t and e (the values from the previous iteration of the outer loop) annealing is unnecessary and the minimization is much faster. The speed of the above algorithm is increased by not recalculating the X - Y distance for a given ia pair when its Mia membership variable drops below a threshold. 3.2 Inner Loop The inner loop proceeds in three phases. In phase one, while t and e are held fixed, m is initialized with the softmax function and then iteratively projected across its rows and columns until the procedure converges. In phases two and three, t and e are updated using coordinate descent. Then 13m is increased and the loop repeats. In phase one m is updated with softmax: miajk = exp( -13m "Xij Lk' exp( -13m IIXij tia - - tia R(e ia ) . Yak 112) - R(eia) . Yak/112) Then m is iteratively normalized across j and k until miajk = miajk =-~-? '1\'., L.JJ Using coordinate descent m? .I ,aJ k e is calculated in phase two: And t in phase three: Finally 13m Ljk t:t.miajk is increased and the loop repeats. < f : Clustering with a Domain-Specific Distance Measure v2 By setting the partial derivatives of (2) to zero and initializing I-lJ and to zero, the algorithm for phase one may be derived. Phases two and three may be derived by taking the partial derivative of (2) with respect to 0, setting it to zero, solving for 0, and then solving for the fixed point of the vector (tl, t2). Beginning with a small 13m allows minimization over a fuzzy correspondence matrix m, for which a global minimum is easier to find. Raising 13m drives the m's closer to 0 or 1, as the algorithm approaches a saddle point. 3.3 Outer Loop The outer loop also proceeds in three phases: (1) distances are calculated by calling the inner loop, (2) M is projected across a using the softmaxfunction, (3) coordinate descent is used to update Y . Therefore, using softmax M is updated in phase two: Mia = exp( -13M Ljk miajkllXij - tia - R(0ia) . Yak112) ~----------~------~----------~~~----~7 La' exp( -13M Ljk mia' jk IIXij - t ia , - R(0 ia ,) . Y a, k 112) Y, in phase three is calculated using coordinate descent: Li Mia Lj miajk( cos 0 ia (Xij 1 - tiad + sin 0ia(Xij2 - tia2)) Li Mia Lj miaj k Y ak2 Then 4 13M Li Mia Lj miajk( - sin 0ia(Xi jl - tiad Li Mia Ej + cos 0ia(Xij2 - tia2)) miajk is increased and the loop repeats. Methods and Experimental Results In two experiments (Figures la and Ib) 16 and 100 randomly generated images of 15 and 20 points each are clustered into 4 and 10 clusters, respectively. A stochastic model, formulated with essentially the same visual grammar used to derive the clustering algorithm (Mjolsness, 1992), generated the experimental data. That model begins with the cluster centers and then applies probabilistic transformations according to the rules laid out in the grammar to produce the images. These transformations are then inverted to recover cluster centers from a starting set of images. Therefore, to test the algorithm, the same transformations are applied to produce a set of images, and then the algorithm is run in order to see if it can recover the set of cluster centers, from which the images were produced. First, n = 10 points are selected using a uniform distribution across a normalized square. For each of the n = 10 points a model prototype (cluster center) is created by generating a set of k = 20 points uniformly distributed across a normalized square centered at each orginal point. Then, m = 10 new images consisting of k = 20 points each are generated from each model prototype by displacing all k model points by a random global translation, rotating all k points by a random global rotation within a 54? arc, and then adding independent noise to each of the translated and rotated points with a Gaussian distribution of variance (1"2. 101 102 Gold, Mjolsness, and Rangarajan j t t ,. I 10 t j t 10 0.2 0.' 0.6 0.1 1.2 1.' Figure 1: (a): 16 images, 15 points each (b):100 images, 20 points each The p = n x m = 100 images so generated is the input to the algorithm. The algorithm, which is initially ignorant of cluster membership information, computes n = 10 cluster centers as well as n x p = 1000 match variables determining the cluster membership of each point image. u is varied and for each u the average distance of the computed cluster centers to the theoretical cluster centers (i.e. the original n = 10 model prototypes) is plotted. Data (Figure 1a) is generated with 20 random seeds with constants of n = 4, k = 15, m = 4, p = 16, varying u from .02 to .14 by increments of .02 for each seed. This produces 80 model prototype-computed cluster center distances for each value of u which are then averaged and plotted, along with an error bar representing the standard deviation of each set. 15 random seeds (Figure 1b) with constants of n = 10, k 20, m 10, p = 100, u varied from .02 to .16 by increments of .02 for each seed, produce 150 model prototype-computed cluster center distances for each value of u. The straight line plotted on each graph shows the expected model prototype-cluster center distances, b = ku / which would be obtained if there were no translation or rotation for each generated image, and if the cluster memberships were known. It can be considered a lower bound for the reconstruction performance of our algorithm. Figures 1a and 1b together summarize the results of 280 separate clustering experiments. = = vn, For each set of images the algorithm was run four times, varying the initial randomly selected starting cluster centers each time and then selecting the run with the lowest energy for the results. The annealing rate for 13M and 13m was a constant factor of 1.031. Each run of the algorithm averaged ten minutes on an Indigo SGI workstation for the 16 image test, and four hours for the 100 image test. The running time of the algorithm is O(pnk2). Parallelization, as well as hierarchical and attentional mechanisms, all currently under investigation, can reduce these times. 5 Summary By incorporating a domain-specific distance measure instead of the typical generic distance measures, the new method of unsupervised learning substantially reduces the amount of ad-hoc pre-processing required in conventional techniques. Critical features of a domain (such as invariance under translation, rotation, and permu- Clustering with a Domain-Specific Distance Measure tation) are captured within the clustering procedure, rather than reflected in the properties of feature sets created prior to clustering. The distance measure and learning problem are formally described as nested objective functions. We derive an efficient algorithm by using optimization techniques that allow us to divide up the objective function into parts which may be minimized in distinct phases. The algorithm has accurately recreated 10 prototypes from a randomly generated sample database of 100 images consisting of 20 points each in 120 experiments. Finally, by incorporating permutation invariance in our distance measure, we have a technique that we may be able to apply to the clustering of graphs. Our goal is to develop measures which will enable the learning of objects with shape or structure. Acknowledgements This work has been supported by AFOSR grant F49620-92-J-0465 and ONR/DARPA grant N00014-92-J-4048. References R. Hathaway. (1986) Another interpretation of the EM algorithm for mixture distributions. Statistics and Probability Letters 4:53:56. D. Huttenlocher, G. Klanderman and W. Rucklidge. (1993) Comparing images using the Hausdorff Distance . Pattern Analysis and Machine Intelligence 15(9):850:863. A. L. Yuille and J.J. Kosowsky. (1992) . Statistical physics algorithms that converge. Technical Report 92-7, Harvard Robotics Laboratory. M.l. Jordan and R.A. Jacobs. (1993). Hierarchical mixtures of experts and the EM algorithm. Technical Report 9301, MIT Computational Cognitive Science. C. P. Lu and E. Mjolsness. (1994). Two-dimensional object localization by coarseto-fine correlation matching. In this volume, NIPS 6 . C. von der Malsburg . (1988) . Pattern recognition by labeled graph matching. Neural Networks,1:141:148 . E. Mjolsness and W. Miranker. (1993). Greedy Lagrangians for neural networks: three levels of optimization in relaxation dynamics. Technical Report 945, Yale University, Department of Computer Science. E. Mjolsness. Visual grammars and their neural networks . (1992) SPIE Conference on the Science of Artificial Neural Networks, 1710:63:85. C. Peterson and B. Soderberg. A new method for mapping optimization problems onto neural networks. (1989) International Journal of Neural Systems,I(1):3:22. P. Simard, Y. Le Cun, and J. Denker. Efficient pattern recognition using a new transformation distance. (1993). In S. Hanson, J . Cowan, and C. Giles, (eds.), NIPS 5 . Morgan Kaufmann, San Mateo CA. 103
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Discontinuous Generalization in Large Committee Machines H. Schwarze Dept. of Theoretical Physics Lund University Solvegatan 14A 223 62 Lund Sweden J. Hertz Nordita Blegdamsvej 17 2100 Copenhagen 0 Denmark Abstract The problem of learning from examples in multilayer networks is studied within the framework of statistical mechanics. Using the replica formalism we calculate the average generalization error of a fully connected committee machine in the limit of a large number of hidden units. If the number of training examples is proportional to the number of inputs in the network, the generalization error as a function of the training set size approaches a finite value. If the number of training examples is proportional to the number of weights in the network we find first-order phase transitions with a discontinuous drop in the generalization error for both binary and continuous weights. 1 INTRODUCTION Feedforward neural networks are widely used as nonlinear, parametric models for the solution of classification tasks and function approximation. Trained from examples of a given task, they are able to generalize, i.e. to compute the correct output for new, unknown inputs. Since the seminal work of Gardner (Gardner, 1988) much effort has been made to study the properties of feedforward networks within the framework of statistical mechanics; for reviews see e.g. (Hertz et al., 1989; Watkin et al., 1993). Most of this work has concentrated on the simplest feedforward network, the simple perceptron with only one layer of weights connecting the inputs with a 399 400 Schwarze and Hertz single output. However, most applications have to utilize architectures with hidden layers, for which only a few general theoretical results are known, e.g. (Levin et al., 1989; Krogh and Hertz, 1992; Seung et al., 1992). As an example of a two-layer network we study the committee machine (Nilsson, 1965). This architecture has only one layer of adjustable weights, while the hiddento-output weights are fixed to + 1 so as to implement a majority decision of the hidden units. For binary weights this may already be regarded as the most general two-layer architecture, because any other combination of hidden-output weights can be gauged to + 1 by flipping the signs of the corresponding input-hidden weights. Previous work has been concerned with some restricted versions of this model, such as learning geometrical tasks in machines with local input-to-hidden connectivity (Sompolinsky and Tishby, 1990) and learning in committee machines with nonoverlapping receptive fields (Schwarze and Hertz, 1992; Mato and Parga, 1992). In this tree-like architecture there are no correlations between hidden units and its behavior was found to be qualitatively similar to the simple perceptron. Recently, learning in fully connected committee machines has been studied within the annealed approximation (Schwarze and Hertz, 1993a,b; Kang et aI, 1993), revealing properties which are qualitatively different from the tree model. However, the annealed approximation (AA) is only valid at high temperatures, and a correct description of learning at low temperatures requires the solution of the quenched theory. The purpose of this paper is to extend previous work towards a better understanding of the learning properties of multilayer networks. We present results for the average generalization error of a fully connected committee machine within the replica formalism and compare them to results obtained within the AA. In particular we consider a large-net limit in which both the number of inputs Nand the number of hidden units K go to infinity but with K ~ N. The target rule is defined by another fully connected committee machine and is therefore realizable by the learning network. 2 THE MODEL We consider a network with N inputs, K hidden units and a single output unit (j. Each hidden unit (jl, I E {I, ... , K}, is connected to the inputs 8 = (81 , .?? , 8N) through the weight vector W, and performs the mapping (j1(W I , 8) = sign (Jw W, . 8). (1) The hidden units may be regarded as outputs of simple perceptrons and will be referred to as students. The factor N- 1 / 2 in (1) is included for convenience; it ensures that in the limit N -+ 00 and for iid inputs the argument of the sign function is of order 1. The overall network output is defined as the majority vote of the student committee, given by (2) Discontinuous Generalization in Large Committee Machines = This network is trained from P aK N input-output examples ({", T({")), J.I. E ofthe training inputs {1, ... , P}, ofthe desired mapping T, where the components are independently drawn from a distribution with zero mean and unit variance. We study a realizable task defined by another committee machine with weight vectors L (the teachers), hidden units Tz and an overall output T(S) of the form (2). We will discuss both the binary version of this model with W" L E {? l}N and the continuous version in which the W,'s and L's are normalized to VN. {r The goal of learning is to find a network that performs well on unknown examples, which are not included in the training set. The network quality can be measured by the generalization error ?({W,}) = (0[-(T({~},S) T(S)])~, (3) the probability that a randomly chosen input is misclassified. Following the statistical mechanics approach we consider a stochastic learning algorithm that for long training times yields a Gibbs distribution of networks with the corresponding partition function Z = J dpo({W, }) e- f1Et ({W,}) , (4) where (5) is the training error, {3 = liT is a"formal temperature parameter, and po( {W,}) includes a priori constraints on the weights. The average generalization and training errors at thermal equilibrium, averaged over all representations of the training examples, are given by (( (?({W,}))T)) 1 P (( (Et({~}))T )), (6) where (( ... )) denotes a quenched average over the training examples and ( ... )T a thermal average. These quantities may be obtained from the average free energy F = - T (( In Z )), which can be calculated within the standard replica formalism (Gardner, 1988; Gyorgyi and Tishby, 1990). Following this approach, we introduce order parameters and make symmetry assumptions for their values at the saddle point of the free energy; for details of the calculation see (Schwarze, 1993). We assume replica symmetry (RS) and a partial committee symmetry allowing for a specialization of the hidden units on their respective teachers. Furthermore, a self-consistent solution of the saddle-point equations requires scaling assumptions for the order parameters. Hence, we are left with the ansatz 1 R'k = N (( ( ~)T . V k )) 1 D ,k = N(((W,)T,(((Wk)T)) 1 C'k= N(((W"Wk)T)) (7) 401 402 Schwarze and Hertz where p, ~, d, q and c are of order 1. For ~ = q = 0 this solution is symmetric under permutations of hidden units in the student network, while nonvanishing ~ and q indicate a specialization of hidden units that breaks this symmetry. The values of the order parameters at the saddle point of the replica free energy finally allow the calculation of the average generalization and training errors. 3 THEORETICAL RESULTS In the limit of small training set sizes, Q ' " 0(1/ K), we find a committee-symmetric solution where each student weight vector has the same overlap to all the teacher vectors, corresponding to ~ = q = O. For both binary and continuous weights the generalization error of this solution approaches a nonvanishing residual value as shown in figure 1. Note that the asymptotic generalization ability of the committeesymmetric solution improves with increasing noise level. 0.50 0.30 DAD 0.25 0.30 ...-... E-< w '-' 0 ? ? ? ?" ?" " " " " 0.20 0.10 w 0.20 0.15 ,, 0.10 0.05 0.00 0 10 20 C( 30 = PiN 40 50 ,, ,, ,, , ,, , -.- .-- .. ,- -- ~~~--- _....... -- Et I 0.00 a) Eg b) 0.0 -- ,I ,, , I 0.5 1.0 1.5 2.0 T Figure 1: a) Generalization (upper curve) and training (lower curve) error as functions of 0 K Q. The results of Monte Carlo simulations for the generalization (open symbols) and training (closed symbols) errors are shown for K 5 (circles) and K = 15 (triangles) with T = 0.5 and N = 99. The vertical lines indicate the predictions of the large- K theory for the location of the phase transition Oc = K Q c in the binary model for K = 5 and K = 15, respectively. b) Temperature dependence of the asymptotic generalization and training errors for the committee-symmetric solution. = = Only if the number of training examples is sufficiently large, Q ' " 0(1), can the committee symmetry be broken in favor of a specialization of hidden units. We find first-order phase transitions to solutions with ~,q > 0 in both the continuous and the binary model. While in the binary model the transition is accompanied by a perfect alignment of the hidden-unit weight vectors with their respective teachers (~ 1), this is not possible in a continuous model. Instead, we find a close approach of each student vector to one of the teachers in the continuous model: At a critical value Q" (T) of the load parameter a second minimum of the free energy appears, corresponding to the specialized solution with ~, q > O. This solution becomes the = Discontinuous Generalization in Large Committee Machines global minimum at Ckc(T) > Ck.(T), and its generalization error decays algebraically. In both models the symmetric, poorly generalizing state remains metastable for arbitrarily large Ck. For increasing system sizes it will take exponentially long times for a stochastic training algorithm to escape from this local minimum (see figure 1a). Figure 2 shows the qualitative behavior of the generalization error for the continuous model, and the phase diagrams in figure 3 show the location of the transitions for both models. 1/2 ?o(T) a. ac --------------------=--'=-----+f--.,...I---..---i i I f I j ~ ~----------------~/~/_--------------- a", O(l/K) '" ~ - p KN a'" 0(1) Figure 2: Schematic behavior of the generalization error in the large- K committee machine with continuous weights. In the binary model a region of negative thermodynamic entropy (below the dashed line in figure 3a) suggests that replica symmetry has to be broken to correctly describe the metastable, symmetric solution at large Ck. A comparison of the RS solution with the results previously obtained within the AA (Schwarze and Hertz, 1993a,b) shows that the AA gives a qualitatively correct description of the main features of the learning curve. However, it fails to predict the temperature dependence of the residual generalization error (figure 1b) and gives an incorrect description of the approach to this value. Furthermore, the quantitative predictions for the locations of the phase transitions differ considerably (figure 3). 4 SIMULATIONS We have performed Monte Carlo simulations to check our analytical findings for the binary model (see figure 1a). The influence of the metastable, poorly generalizing state is reflected by the fact that at low temperatures the simulations do not follow the predicted phase transition but get trapped in the metastable state. Only at higher temperatures do the simulations follow the first order transition (Schwarze, 1993). Furthermore, the deviation of the training error from the theoretical result indicates the existence of replica symmetry breaking for finite Q. However, the generalization error of the symmetric state is in good quantitative agreement with the 403 404 Schwarze and Hertz 0.8 0.6 E-< 1.0 ; .I ;,l' 0.4 ,.I i ; ; ; ; ,l ; ; ; 0.8 / / .......?.?./ 0.6 ... -- .. 0.4 i i 0.2 j j i O.O~~~~~~!~~~~~~~~ 5 10 15 0: r 0.2 ,i a) // ..... l./???????????????????? I 20 25 O.O~~~~~~~~~!~-u~~ 30 b) 1.0 1.5 = P/KN 2.0 0: 2.5 3.0 3.5 4.0 = P/KN Figure 3: Phase diagrams of the large-K committee machine. a) continuous weights: The two left lines show the RS results for the spinodal line (--), where the specialized solution appears, and the location of the phase transition (-). These results are compared to the predictions of the AA for the spinodal line (- . -) and the phase transition ( ... ). b) binary weights: The RS result for the location of the phase transition ( - ) and its zero-entropy line (--) are compared to the prediction of the AA for the phase transition ( ... ) and its zero-entropy line (- . -). theoretical results. In order to investigate whether our analytical results for a Gibbs ensemble of committee machines carries over to other learning scenarios we have studied a variation of this model allowing the use of backpropagation. We have considered a 'softcommittee' whose output is given by q( {W,}. S) = tanh (t. tanh (J?, . S?. (8) The first-layer weights W, of this network were trained on examples (el', r(el'?, J.? E {l, ... , P}, defined by another soft-committee with weight vectors V, using on-line backpropagation with the error function ?(S) = (1/2)[0'({~}, S) - r(S)]2. (9) In general this procedure is not guaranteed to yield a Gibbs distribution of weights (Hansen et al., 1993) and therefore the above analysis does not apply to this case. However, the generalization error for a network with N = 45 inputs and K = 3 hidden units, averaged over 50 independent runs, shows the same qualitative behavior as predicted for the Gibbs ensemble of committee machines (see figure 4). After an initial approach to a nonvanishing value, the average generalization error decreases rather smoothly to zero. This smooth decrease of the average error is due to the fact that some runs got trapped in a poorly-generalizing, committeesymmetric solution while others found a specialized solution with a close approach to the teacher. Discontinuous Generalization in Large Committee Machines 0.18 r--.....,.----r--.....,.---r--.....,.------r'1 0.16 0.1. i 0.12 0.06 0.0. 0.02 200 600 800 1000 1200 P = Figure 4: Generalization error and training error of the 'soft-committee' with N 45 and K 3. We have used standard on-line backpropagation for the first-layer weights with a learning rate 11 = 0.01 for 1000 epochs. the results are averaged over 50 runs with different teacher networks and different training sets. = 5 CONCLUSION We have presented the results of a calculation of the generalization error of a multilayer network within the statistical mechanics approach. We have found nontrivial behavior for networks with both continuous and binary weights. In both models, phase transitions from a symmetric, poorly-generalizing solution to one with specialized hidden units occur, accompanied by a discontinuous drop of the generalization error. However, the existence of a metastable, poorly generalizing solution beyond the phase transition implies the possibility of getting trapped in a local minimum during the training process. Although these results were obtained for a Gibbs distribution of networks, numerical experiments indicate that some of the general results carryover to other learning scenarios. Acknowledgements The authors would like to thank M. Biehl and S. Solla for fruitful discussions. HS acknowledges support from the EC under the SCIENCE programme (under grant number B/SCl * /915125) and by the Danish Natural Science Council and the Danish Technical Research Council through CONNECT. References E. Gardner (1988), J. Phys. A 21, 257. G. Gyorgyi and N. Tishby (1990), in Neural Networks and Spin Glasses, edited by K. Thuemann and R. Koberle, (World scientific, Singapore). L.K. Hansen, R. Pathria, and P. Salamon (1993), J. Phys. A 26, 63. J. Hertz, A. Krogh, and R.G. Palmer (1989), Introduction to the Theory of Neural 405 406 Schwarze and Hertz Computation, (Addison-Wesley, Redwood City, CA). K. Kang, J.-H. Oh, C. Kwon, and Y. Park (1993), preprint Pohang Institute of Science and Technology, Korea. A. Krogh and J . Hertz (1992), in Advances in Neural Information Processing Systems IV, eds. J .E. Moody, S.J. Hanson, and R.P. Lippmann, (Morgan Kaufmann, San Mateo) . E. Levin, N. Tishby, and S.A. Solla (1989), in Proc. 2nd Workshop on Computational Learning Theory, (Morgan Kaufmann, San Mateo). G. Mato and N. Parga (1992), J. Phys. A 25, 5047. N.J. Nilsson (1965), Learning Machines, (McGraw-Hill, New York). H. Schwarze (1993), J. Phys. A 26, 5781. H. Schwarze and J. Hertz (1992), Europhys. Lett. 20,375. H. Schwarze and J. Hertz (1993a), J. Phys. A 26, 4919. H. Schwarze and J. Hertz (1993b), in Advances in Neural Information Processing Systems V, (Morgan Kaufmann, San Mateo). H.S. Seung, H. Sompolinsky, and N. Tishby (1992), Phys. Rev. A 45, 6056. H. Sompolinskyand N. Tishby (1990), Europhys. Lett. 13, 567. T. Watkin, A. Rau, and M. Biehl (1993), Rev. Mod. Phys. 65, 499.
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154 PRESYNApnC NEURAL INFORMAnON PROCESSING L. R. Carley Department of Electrical and Computer Engineering Carnegie Mellon University, Pittsburgh PA 15213 ABSTRACT The potential for presynaptic information processing within the arbor of a single axon will be discussed in this paper. Current knowledge about the activity dependence of the firing threshold, the conditions required for conduction failure, and the similarity of nodes along a single axon will be reviewed. An electronic circuit model for a site of low conduction safety in an axon will be presented. In response to single frequency stimulation the electronic circuit acts as a lowpass filter. I. INTRODUCTION The axon is often modeled as a wire which imposes a fixed delay on a propagating signal. Using this model, neural information processing is performed by synaptically sum m ing weighted contributions of the outputs from other neurons. However, substantial information processing may be performed in by the axon itself. Numerous researchers have observed periodic conruction failures at norma! physiological impulse activity rates (e.g., in cat, in frog 2 , and in man ). The oscillatory nature of these conduction failures is a result of the dependence of the firing threshold on past impulse conduction activity. The simplest view of axonal (presynaptic) information processing is as a switch: the axon will either conduct an im pulse or not. The state of the switch depends on how past impulse activity modulates the firing threshold, which will result in conduction failure if firing threshold is bigger than the incoming impulse strength. In this way, the connectivity of a synaptic neural network could be modulated by past impulse activity at sites of conduction failure within the network. More sophisticated presynaptic neural information processing is possible when the axon has more than one terminus, implying the existence of branch points within the axon. Section II will present a general description of potential for presynaptic information processing. The after-effects of previous activity are able to vary the connectivity of the axonal arbor at sites of low conduction safety according to the temporal pattern of the impulse train at each site (Raymond and LeUvin, 1978; Raymond, 1979). In order to understand the inform ation processing potential of presynaptic networks it is necessary to study the after- effects of activity on the firing threshold. Each impulse is normally followed by a brief refractory period (about 10m s in frog sciatic nerve) of increased ? American Institute of Phvl'if:<' 1qR~ 155 threshold and a longer superexcitable period (about 1 s in frog sciatic nerve) during which the threshold is actually below its resting level. During prolonged periods of activity, there is a gradual increase in firing threshold which can persist long (> 1 hour in frog nerve) after cessation of im pulse activity (Raymond and Lettvin, 1978). In section III, the methods used to measure the firing threshold and the after-effects of activity will be presented. In addition to understanding how impulse activity modulates sites of low conduction safety, it is important to explore possible constraints on the distribution of sites of low conduction safety within the axon's arbor. Section IV presents results from a study of the distribution of the aftereffects of activity along an axon. Section V presents an electronic circuit model for a region of low conduction safety within an axonal arbor. It has been designed to have a firing threshold that depends on the past activity in a manner similar to the activity dependence measured for frog sciatic nerve. II. PRESYNAPTIC SIGNAL PROCESSING Conduction failure has been observed in many diffe~e~t organisms, including man, at normal physiological activity rates. 1 , , The aftereffects of activity can "modulate" conduction failures at a site of low conduction safety. One common place where the conduction safety is low is at branch points where an impedance mismatch occurs in the axon. In order to clarify the meaning of presynaptic information processing, a simple example is in order. Parnas reported that in crayfish a single axon separately activates the medial (DEA~~ and lateral (DEAL) branches of the deep abdominal extensor muscles.' At low stimulus frequencies (below 40-50 Hz) impulses travel down both branches; however, each impulse evokes much smaller contractions in DEAL than in DEAM resulting in contraction of DEAM without significant contraction of DEAL. At higher stim ulus frequencies conduction in the branch leading to D EAM fails and DEAL contracts without DEAM contracting. Both DEAL and DEAM can be stim ulated separately by stim ulus patterns more com plicated than a single frequency. The theory of "fallible trees", which has been discussed by Lettvin, McCulloch and Pitts, Raymond, and Waxman and Grossman among others, suggests that one axon which branches many times forms an information processing element with one input and many outputs. Thus, the after-effects of previous activity are able to vary the connectivity of the axonal arbor at regions of low conduction safety according to the temporal pattern of the impulse train in each branch. The transfer function of the fallible tree is determined by the distribution of sites of low conduction safety and the distribution of superexcitability and depressibility at those sites. Thus, a single axon with 1000 terminals can potentially be in 2 1000 different states as a function of the locations of sites of conduction failure within the axonal arbor. And, each site of low conduction safety is 156 modulated by the past impulse activity at that site. Fallible trees have a number of interesting properties. They can be used to cause different input frequencies to excite different axonal terminals. Also, fallible trees, starting at rest, will preserve timing information in the input signal; Le., starting from rest, all branches will respond to the first impulse. III. AFTER- EFFECTS OF ACTIVITY In this section, the firing threshold will be defined and an experimental method for its measurem ent will be described. In addition, the aftereffects of activity will be characterized and typical results of the characterization process will be given. The following method was used to measure the firing threshold. Whole nerves were placed in the experimental setup (shown in figure 1). The whole nerve fiber was stim ulated with a gross electrode. The response from a single axon was recorded using a suction microelectrode. Firing threshold was measured by applying test stimuli through the gross stimulating electrode and looking for a response in the suction m icroelectrode. F ixed-duration variable-amplitude current stimulator . ?? , Ag-AgCI Motordriven vernier micrometer electrode 0?4 mm diameter f--MOVES~ A ~; Suction electrOdep'. Single axon \ Whole nerve t'. t. lh Refer~nce ~ suctIon electrode Figure 1. Drawing of the experimental recording chamber. Threshold Hunting, a was used to characterize test stimulus which fails increase the strength of process forschoosin g the test stimulus strength, the axons. It uses the following paradigm. A to elicit a conducting impulse causes a small subsequent test stimuli. A test stim ulus which 157 elicits an im pulse causes a small decrease in the strength of subsequent test stimuli. Conditioning Stimuli, ones large enough to guarantee firing an impulse, can be interspersed between test stimuli in order to achieve a controlled overall activity rate. Rapid variations in threshold following one or more conditioning impulses can be measured by slowly increasing the time delay between the conditioning stimuli and the test stimulus. Several phases follow each impulse. First, there is a refractory period of short duration (about 10ms in frog nerve) during which another impulse cannot be initiated. Following the refractory period the axon actually becomes more excitable than at rest for a period (ranging from 200ms to 1 s in frog nerve, see figure 2). The superexcitable period is measured by applying a conditioning stimulus and then delaying by a gradually increasing time delay and applying a test stimulus (see figure 3). There is only a slight increase in the peak of the superexcitable period following multiple im pulses? The superexcitability of an axon was characterized by the % decrease of the threshold from its resting level at the peak of the superexcitable period. 5'(1) fo, P, 0.50 ? 5 + :......-TO~ :_TO'Ald-~ 1 1 CONO I TlONING o~!_ _ _ _~~~I----~~~I~--17~~'---IOc~~Td INTERVAL 'm.. c) Figure 2. Typical superexcitable period in axon from frog sciatic nerve. T[ST 5t IMULU5 . T [5T 5T IMULUS co NOI T 10NING :_FRAMC 1 - ; - r R A M C ?-:- Figure 3. Stim ulus pattern used for measuring superexcitability. During a period of repetitive impulse conduction, the firing threshold may gradually increase. After the period of increased im pulse activity ends, the threshold gradually recovers from its maximum over the course of several minutes or more with complete return of the threshold to its resting level taking as long as an hour or two (in frog nerve) depending on the extent of the preceding im pulse activity. The depressibility of an axon can be characterized by the initial upward slope of the depression and the time 158 constant of the recovery phase (see figure 4). The pattern of conditioning and test stimuli used to generate the curve in figure 4 is shown in figure 5. Depression may be correlated with microanatomical changes which occur ira the glial cells in the nodal region during periods of increased activity. During periods of repetitive stim ulation the size and num ber of extracellular paranodal intramyelinic vacuoles increases causing changes in the paranodal geom etry. Cond.t.on.,,!! burst Test Threshold \percenl.gt of rHling level) 200 120 40 ?o+-'--5~-tO--15--2-0--2+-5--:'30 Time (min) l' r-- On Figure 4. Typical depression in an axon from frog sciatic nerve. The average activity rate was 4 impulses/sec between the 5 min mark and the 10 min mark. 5 min >" T Time ~ Off Figure 5. Stim ulus pattern used for measuring depression. IV. CONSTRAINTS ON FALLIBLE TREES The basic fallible tree theo ry places no constraints on the distribution of sites of conduction failure among the branches of a single axon. In this section one possible constraint on the distribution of sites of conduction failure will be presented. Experiments have been performed in an attempt to determine if the extremely wide variations in superexcitability anS depressibility found between nodes from different axons in a single nerve (particularly for depressibility) also occur between nodes from the same axon. A study of the distribution of the after-effects of activity along an unbranching length of frog sciatic nerve isund only sm all variations in the after- effects along a single axon. Both superexcitability and depressibility were extremely consistent for nodes from along a single unbranching length of axon (see figures 6 and 7). This suggests that there may be a cell-wide regulatory system that maintains the depressibility and 159 superexcitability at com parable levels throug hout the extent of the axon. Thus, portions of a fallible tree which have the same axon diameter would be expected to have the same superexcitability and depressibility. 3.() 30 95 Superexcitability (%1 Figure 6. PDF of SuperexcitabiliThe upper trace represents the PDF of the entire population of nodes studied and the two lower traces represent the separate populations of nodes from two different axons. ty. 0 -8 8 -0 2-5 25 80 Upward slope ("'/minl Figure 7. PDF of Depressibility. The upper trace represents the PDF of the entire population of nodes studied and the two lower traces represent the separate populations of nodes from two different axons. This study did not examine axons which branched, therefore it cannot be concluded that superexcitability and depressibility must remain constant throughout a fallible tree. For example, it is quite likely that the cell actually regulates quantities like pump- site density, not depressibility. In that case, daughter branches of smaller diameter might be expected to show consistently higher depressibility. Further research is needed to determine how the activity dependence of the threshold scales with axon diameter along a single axon before the consistency of the after-effects along an unbranching axon can be used as a constraint on presynaptic information processing networks. V. ELECTRICAL AXON CIRCUIT This section presents a simple electronic circuit which has been designed to have a firing threshold that depends on the past states of the output in a manner similar to the activity dependence measured for frog sciatic nerve. In response to constant frequency stimuli, the circuit acts as 160 a low pass filter whose corner frequency depends on the coefficients which determine the after-effects of activity. Figure B shows the circuit diagram for a switched capacitor circuit which approximates the after- effects of activity found in the frog sciatic nerve. The circuit employs a two phase nonoverlapping clock, e for the even clock and 0 for the odd clock, typical of switched capacitor circuits. It incorporates a basic model for superexcitability and depressibility. VTH represents the resting threshold of the axon. On each clock cycle the V'N is com pared with VTH+ Vo- Vs. The two capacitors and three switches at the bottom of figure B model the change in threshold caused by superexcitability. Note that each impulse resets the comparator's minus input to (1-cx.)VTH, which decays back to VTH on subsequent clock cycles with a time constant inversely proportional to Ps. This is a slight deviation from the actual physiological situation in which multiple conditioning im pulses will generate slightly more superexcitability than a single impulse? The two capacitors and two switches at the upper left of figure B model the depressibility of the axon. The current source represents a fixed increment in the firing threshold with every past impulse. The depression voltage decays back to 0 on subsequent clock cycles with a time constant inversely proportional to PO. Figure B. Circuit diagram for electrical circuit analog of nerve threshold. The electrical circuit exhibits response patterns similar to those of neurons that are conducting intermittently (see figure 9). During bursts of conduction, the depression voltage increases linearly until the comparator 161 fails to fire. The electrical axon then fails to fire until the depression voltage decays back to (1 +aOV)VTH' The connectivity between the input and output of the axon is defined to be the average fraction of impulses which are conducted. In terms of connectivity, the electrical axon model acts as a lowpass filter (see figure 10). riftiNG VD ' YES tll4 Vs , ?? NO .. . rlUINC "'I1ACTI(lN ?? ~ \ o : vS ,00 10 300 T,,.a: ?Sl:CONUS I Figure 9. Typical waveform s for intermittent conduction. The upper trace indicates whether impulses are conducted or not. VD and Vs are the depression voltage and the superexcitable voltage respectively. o. :.I--~~----;-t-----;2r-------.c. INruT rR(: QVE~' Figure 10. Frequency response of electrical axon model. The connectivity is reflected by the fraction of impulses which are conducted out of a seq uence of 100.000 stimuli where the frequency is in stim uli/second. For a fixed stim ulus frequency. the average fraction of im pulses which are conducted by the electrical model can be predicted analytically. The expressions can be greatly simplified by making the assumption that VD increases and decreases in a linear fashion. Under that assumption. in terms of the variables indicated on the schematic diagram, where M is the number of clock cycles between input stimuli. which is inversely proportional to the input frequency. The frequency at which only half of the impulses are conducted is defined as the corner frequency of the low pass filter. The corner frequency is 162 f(P == 0.5) _...!. M == log(1-~D) aD log(1--) aOV Using the above equations, lowpass filters with any desired cutoff frequency can be designed. The analysis indicates that the corner frequency of the lowpass filter can be varied by changing the degree of conduction safety (aov) without changing either depressibility or superexcitability. This suggests that the existence of a cell- wide regulatory system maintaining the depressibility and superexcitability at comparable levels throughout the extent of the axon would not prevent the construction of a bank of low pass filters since their corner frequencies could still be varied by varying the degree of conduction safety (aov). VI. CONCLUSIONS Recent studies report that the primary effect of several common anesthetics is to abolish the activity dependence of the firing threshold without interfering with impulse conduction. 11 This suggests that presynaptic processing may play an important role in human consciousness. This paper has explored some of the basic ideas of presynaptic information processing, especially the after- effects of activity and their modulation of impulse conduction at sites of low conduction safety. A switched capacitor circuit which sim ulates the activity dependent conduction block that occurs in axons has been designed and simulated. Simulation results are very similar to the intermittent conduction patterns measured experimentally in frog axons. One potential information processing possibility for the arbor of a single axon, suggested by the analysis of the electronic circuit, is to act as a filterbank; every terminal could act as a lowpass filter with a different corner frequency. BIBLIOGRAPHY [1] Barron D. H. and B. H. C. Matthews, Intermittent conduction in the spinal chord. J. Physiol. 85, p. 73-103 (1935). 163 [2] Fuortes M. G. F., Action of strychnine on the "intermittent conduction" of impulses along dorsal columns of the spinal chord of frogs. J. Physiol. 112, p.42 (1950). [3] Culp W. and J. Ochoa, Nerves and Muscles as Abnormal Impulse Generators. (Oxford University Press, London, 1980). [4] Grossman V., I. Parnas, and M. E. Spira, Ionic mechanisms involved in differential conduction of action potentials at high frequency in a branching axon. J. Physiol. 295, p.307 - 322 (1978). [5] Parnas I., Differential block at high frequency of branches of a single axon innervating two muscles. J. Physiol. 35, p. 903-914, 1972. [6] Carley, L.R. and S.A. Raymond, Threshold Measurement: Applications to Excitable Membranes of Nerve and Muscle. J. Neurosci. Meth. 9, p. 309 - 333 (1983). [7] Raymond S. A. and J. V. Lettvin, After-effects of activity in peripheral axons as a clue to nervous coding. In Physiology and Pathobiology of Axons, S. G. Waxman (ed.), (Raven Press, New York, 1978), p. 203 - 225. [8] Wurtz C. C. and M. H. Ellisman, Alternations in the ultrastructure of peripheral nodes of Ranvier associated with repetitive action potential propagation. J. Neurosci. 6(11), 3133- 3143 (1986). [9] Raym ond S. A., Effects of nerve im pulses on threshold of frog sciatic nerve fibers. J. Physiol. 290,273- 303 (1979). [10] Carley, L.R. and S.A. Raymond, Com parison of the after- effects of impulse conduction on threshold at nodes of Ranvier along single frog Sciatic axons. J. Physiol. 386, p. 503 - 527 (1987). [11] Raymond S. A. and J. G. Thalhammer, Endogenous activitydependent mechanisms for reducing hyperexcitability ofaxons: Effects of anesthetics and CO 2 , In Inactivation of Hypersensistive Neurons, N. Chalazonitis and M. Gola, (eds.), (Alan R. Liss Inc., New Vork, 1987), p. 331-343.
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Learning in Compositional Hierarchies: Inducing the Structure of Objects from Data Joachim Utans Oregon Graduate Institute Department of Computer Science and Engineering P.O. Box 91000 Portland, OR 97291-1000 [email protected] Abstract I propose a learning algorithm for learning hierarchical models for object recognition. The model architecture is a compositional hierarchy that represents part-whole relationships: parts are described in the local context of substructures of the object. The focus of this report is learning hierarchical models from data, i.e. inducing the structure of model prototypes from observed exemplars of an object. At each node in the hierarchy, a probability distribution governing its parameters must be learned. The connections between nodes reflects the structure of the object. The formulation of substructures is encouraged such that their parts become conditionally independent. The resulting model can be interpreted as a Bayesian Belief Network and also is in many respects similar to the stochastic visual grammar described by Mjolsness. 1 INTRODUCTION Model-based object recognition solves the problem of invariant recognition by relying on stored prototypes at unit scale positioned at the origin of an object-centered coordinate system. Elastic matching techniques are used to find a correspondence between features of the stored model and the data and can also compute the parameters of the transformation the observed instance has undergone relative to the stored model. An example is the TRAFFIC system (Zemel, Mozer and Hinton, 1990) or the Frameville system (Mjolsness, Gindi and 285 286 Utans i~----::;""Human I I I I I I I I I I I I I I I I I I 1. _ _ _ _ _ _ 1 r--------, I r I o o - ' iwi i @~ ! L ________ Arm J Lower Arm ~ -oo~oj 1(' Figure I: Example of a compositional hierarchy. The simple figure can be represented as hierarchical composition of parts. The hierarchy can be represented as a graph (a tree in this case). Nodes represent parts and edges represent the structural relationship. Nodes at the bottom represent individual parts of the object; nodes at higher levels denote more complex substructures. The single node at the top of the tree represents the entire object. Anandan, 1989; Gindi, Mjolsness and Anandan, 1991; Vtans, 1992). Frameville stores models as compositional hierarchies and by matching at each level in the hierarchy reduces the combinatorics of the match. The attractive feature of feed-forward neural networks for object recognition is the relative ease with which their parameters can be learned from training data. Multilayer feed-forward networks are typically trained on input/output pairs (supervised learning) and thus are tuned to recognize instances of objects as seen during training. Difficulties arise if the observed object appears at a different position in the input image, is scaled or rotated, or has been subject to distortions. Some of these problems can be overcome by suitable preprocessing or judicious choice of features. Other possibilities are weight sharing (LeCun, Boser, Denker, Henderson, Howard, Hubbard and Jackel, 1989) or invariant distance measures (Simard, LeCun and Denker, 1993). Few attempts have been reported in the neural network literature to learn the prototype models for model based recognition from data. For example, the Frameville system uses hand-designed models. However, models learned from data and reflecting the statistics of the data should be superior to the hand-designed models used previously. Segen (1988a; 1988b) reports an approach to learning structural descriptions where features are clustered to substructures using a Minimum Description Length (MDLJ criterion to obtain a sparse representation. Saund (1993) has proposed a algorithm for constructing tree presentation with multiple "causes" where observed data is accounted for by multiple substructures at higher levels in the hierarchy. Veda and Suzuki (1993) have developed an algorithm for learning models from shape contours using multiscale convex/concave structure matching to find a prototype shape typical for exemplars from a given class. 2 LEARNING COMPOSITIONAL HIERARCHIES The algorithm described here merges parts by means of grouping variables to form substructures. The model architecture is a compositional hierarchy, i.e. a part-whole hierarchy (an example is shown in Figure 1). The nodes in the graph represent parts and substructures, the arcs describe the structure of the object. At each node a probability density for part parameters is stored. A prominent advocate of such models has been Marr (1982) and models of this type are used in the Frameville system (Mjolsness et ai., 1989; Gindi et al., 1991; Vtans, 1992). The nodes in the graph represent parts and substructures, the Learning in Compositional Hierarchies: Inducing the Structure of Objects from Data Figure 2: Examples of different compositional hierarchies for the same object (the digit 9 for a seven-segment LED display). One model emphasizes the parallel lines making up the square in the top part of the figure while for another model angles are chosen as intermediate substructures. The example on the right shows a hierarchy that "reuses" parts. arcs describe the structure of the object. The arcs can be regarded as "part-of" or "ina" relationships (similar to the notion used in semantic networks). At each node a probability density for part parameters such as position, size and orientation is stored. The model represents a typical prototype object at unit scale in an object-centered coordinate system. Parameters of parts are specified relative to parameters of the parent node in the hierarchy. Substructures thus provide a local context for their parts and decouple their parts from other parts and substructures in the model. The advantages of this representation are sparseness, invariance with respect to viewpoint transformations and the ability to model local deformations. In addition, the model explicitly represents the structure of an object and emphasizes the importance of structure for recognition (Cooper, 1989). Learning requires estimating the parameters of the distributions at each node (the mean and variance in the case of Gaussians) and finding the structure of model. The emphasis in this report is on learning structure from exemplars. The parameterization of substructures may be different than for the parts at the lowest level and become more complex and require more parameters as the substructures themselves become more complex. The representation as compositional hierarchy can avoid overfitting since at higher levels in the hierarchy more exemplars are available for parameter estimation due to the grouping of parts (Omohundro, 1991). 2.1 Structure and Conditional Independence: Bayesian Networks In what way should substructures be allocated? Figure 2 shows examples of different compositional hierarchies for the same object (the digit 9 for a seven-segment LED display). One model emphasizes the parallel lines making up the square in the top part of the figure while for another model angles are chosen as intermediate substructures. It is not clear which of these models to choose. The important benefit of a hierarchical representation of structure is that parts belonging to different substructures become decoupled, i.e. they are assigned to a different local context. The problem of constructing structured descriptions of data that reflect this independence relationship has been studied previously in the field of Machine Learning (see (Pearl, 1988) for a comprehensive introduction). The resulting models are Bayesian Belief Networks. Central to the idea of Bayesian Networks is the assumption that objects can be regarded as being composed of components that only sparsely interact and the network captures the probabilistic dependency of these components. The network can be represented as an interaction graph augmented with conditional probabilities. The structure of the graph represents the dependence of variables, i.e. connects them with and arc. The strength of the 287 288 Utans m,. 0.11 Figure 3: Bayesian Networks and conditional independence (see text). Figure 4: The model architecture. Circles denote the grouping variables ina (here a possible valid model after leaming is shown). dependence is expressed as forward conditional probability. The conditional independence is represented by the absence of an arc between two nodes and leads to the sparseness of the model. The notion of conditional independence in the context studied here manifest itself as follows. By just observing two parts in the image, one must assume that they, i.e. their parameters such as position, are dependent and must be modeled using their joint distribution. However, if one knows that these two parts are grouped to form a substructure then knowing the parameters of the substructure, the parts become conditionally independent, namely conditioned on the parameters of the substructure. Thus, the internal nodes representing the substructures summarize the interaction of their child nodes. The correlation between the child nodes is summarized in the parent node and what remains is, for example, independent noise in observed instances of the child nodes. The probability of observing an instance can be calculated from the model by starting at the root node and multiplying with the conditional probabilities of nodes traversed until the leaf nodes are reached. For example, given the graph in Figure 3, the joint distribution can be factored as P(Xl' Yl, Y2, zl, Z2, z3, Z4) = P(Xd P (Yllxd P (Zllyd P (ZlIYl)P(Z2IYl )P(z3IY2)P(Z4IY2) (I) (note that the hidden nodes are treatedjust like the nodes corresponding to observable parts). Note that the stochastic visual grammar described by Mjolsness (1991) is equivalent to this model. The model used there is a stochastic forward (generative) model where each level of the compositional hierarchy corresponds to a stochastic production rule that generates nodes in the next lower level. The distribution of parameters at the next lower level are conditioned on the parameters of the parent node. Thus, the model obtained from constructing a Bayesian network is equivalent to the stochastic grammar if the network is constrained to a directed acyclic graph (DAG). If all the nodes of the network correspond to observable events, techniques exist for finding the structure of the Bayesian Network and estimate its parameters (Pearl, 1988) (see also (Cooper and Herskovits, 1992)}. However, for the hierarchical models considered here, only the nodes at the lowest layer (the leaves of the tree) correspond to observable instances of parts of the object in the training data. The learning algorithm must induce hidden, unobservable substructures. That is, it is assumed that the observables are "caused" by internal nodes not directly accessible. These are represented as nodes in the network just Learning in Compositional Hierarchies: Inducing the Structure of Objects from Data like the observables and their parameters must be estimated as well. See (Pearl, 1988) for an extensive discussion and examples of this idea. Learning Bayesian networks is a hard problem when the network contains hidden nodes but a construction algorithm exists if it is known that the data is in fact tree-decomposable (Pearl, 1988). The methods is based on computing the correlations p between child nodes and constraints on the correlation coefficients dictated by a particular structure. The entire tree can be constructed recursively using this method. Here, the case of Normal-distributed real-valued random variables is of interest: p(XI, ... , Xn) where x = 1 Vdet'f 1 = v2?r ~ exp (1 --(x detL 2 (XI, X2, ... p) T :E -I (x - p) ) (2) ,xn ) with mean p = E{x} and covariance matrix :E = E{(x - p)(x - p)T} The method is based on a condition under which a set of random variables is star-decomposable. The question one ask is whether a set of n random variables can be represented as the marginal distribution of n + 1 variables XI, ... , X n , W such that the XI, ... , Xn are conditionally independent given w, i.e. (3) J p(XI, ... , Xn , w)dw (4) In the graph representation of the Bayesian Network w is the central node relating the XI, ... ,X n , hence the name star-decomposable. In the general case of n variables this is hard to verify but a result by Xu and Pearl (1987) is available for 3 variables: A necessary and sufficient condition for 3 random variables with a joint normal distribution to be stardecomposable is that the pairwise correlation coefficients satisfy the triangle inequality pjk ~ PjiPik with (5) for all i, j, k E [1,2,3] and i "I j "I k. Equality holds if node w coincides with node i. For the lowest level of the hierarchy, nodes j and k represent parts and node i = w represents the common substructure. 2.2 An Objective Function for Grouping Parts The algorithm proposed here is based on "soft" grouping by means of grouping variables ina where both the grouping variables and the parameter estimates are updated concurrently. The learning algorithms described in (Pearl, 1988) incrementally construct a Bayesian network and decisions made at early stages cannot be reversed. It is hoped that the method proposed here is more robust with regard to inaccuracies of the estimates. However, if the true distribution is not a star-decomposable normal distribution it can only be approximated. Let inaij be a binary variable associated with the arc connecting node i and node j; inaij = 1 if the arc is present in the network (ina is the adjacency matrix of the graph describing the structure of the model). The model architecture is restricted to a compositional hierarchy (a departure from the more general structure of a Bayesian Network, i.e. nodes are preassigned to levels of the hierarchy (see Figure 4)). Based on the condition in equation (5) a cost 289 290 Utans function term for the grouping variables ina is Ep = L inawjinawk (PwjPwk - Pjk)2 (6) w,j,kt-j The term penalizes the grouping of two part nodes to the same parent if the term in parentheses is large (i and k index part nodes, w nodes at the next higher level in the hierarchy) The inawj can be regarded as assignment variables the assign child nodes j to parent nodes w. The parameters at each node and the assignment variables ina are estimated using an EM algorithm (Dempster, Laird and Rubin, 1977; Utans, 1993; Yuille, Stolorz and Utans, 1994). For the details of the implementation of grouping with match networks see (Mjolsness et at., 1989; Mjolsness, 1991; Gindi et at., 1991; Utans, 1992; Utans, 1994). At each node for each parameter a probability distribution is stored. Nodes at the lowest level of the hierarchy represent parts in the input data. For the Gaussian distributions used here for all nodes, the parameters are the mean J-t and the variance (J' and can be estimated from data. Each part node can potentially be grouped to any substructure at the next higher level in the hierarchy. The parameters of the distributions at this level are estimated from data as well but using the current value of the grouping variables inaij to weight the contribution from each part node. Because each child node j can have only one parent node i, an additional constraint for a unique assignment is Lw inawj = 1. 3 ANEXAMPLE Initial simulations of the proposed algorithm were performed using a hierarchial model for dot clusters. The training data was generated using the three-level model shown in Figure 5. Each node is parameterized by its position (x, y). The node at the top level represents the entire dot cluster. At the intermediate level nodes represent subcluster centers. The leaf nodes at the lowest level represent individual dots that are output by the model and observed in the image. The top level node represents the position of the entire cluster. At each level + 1 stored offsets 1 are added to the parent coordinates x~ to obtain the coordinates of the child nodes. Then, independent, zero-mean Gaussian distributed noise ( is added: xj+l = x! + d~jl + ( The training data consists of a vector of positions at the lowest level {Xj} with Xj (Xj, Yj), j 1 ... 9 for each exemplar. 1 d!t = = The identity of the parts in the training data is assumed known. In addition, the data consists of parts from a single object. For the simulations, the model architecture is restricted to a three-level hierarchy. Since at the top level a single node represents the entire object, only the grouping variables from the lowest to the intermediate level are unknown (the nodes at the intermediate level are implicitly grouped to the single node at the top level). In the current implementation the parameters of a parent node are defined as the average over the parameters of its child nodes: x~ = Jv Lj i~jxj+l For this problem the algorithm has recovered the structure of the model that generated the training data. Thus in this case it is possible to use the correlation coefficients to learn the structure of an object from noisy training exemplars. However, the algorithm does not recover the same parameter values x used in the generative model at the intermediate layers. These cannot uniquely specified due to the ambiguity between the parameters Xi and offsets d ij (a different choice for Xi leads to different values for d ij ). Learning in Compositional Hierarchies: Inducing the Structure of Objects from Data 0 0 0 0 ? 0 0 ? 0 DaIs )( Global Position ? )( ? 0 CI ustar Center 0 0 Dot Figure 5: The model used to generated training data. The structure of the model is a three-level hierarchy. The model parameters are chosen such that the generated dot cluster spatially overlap. On the left, an example of an instance of a dot cluster generated from the model is shown (these constitute the training data). 4 EXTENSIONS The results of the initial experiments are encouraging but more research needs to be done before the algorithm can be applied to real data. For the example used here, the training data was generated by a hierarchical model. Thus the distribution of the training exemplars could, in principle, be learned exactly using the proposed model architecture. I plan to study the effect of approximating the distribution of real-world data by applying the method to the problem of learning models for handwritten digit recognition. The model should be extended to include provisions to deal with missing data. Instead of being binary variables, inaij could be the conditional probability that part j is present in a typical instance of the object given that the parent node i itself is present (similar to the dot deletion rule described in (Mjolsness, 1991)}. These probabilities must also be estimated from data. Under this interpretation the inaij are similar to the mixture coefficients in the mixture of experts model (Jordan and Jacobs, 1993) The robustness of the algorithm can be improved when the desired locality of the model is explicitly favored via an additional constraint. E\ocal = .A L inaij inaik IXj - Xk 12 ij k In this sense, the toy problem shown here is unnecessarily difficult. Preliminary experiments indicate that including this term reduces the sensitivity to spurious correlations between parts that are far apart. As described the algorithm performs unsupervised grouping; learning the hierarchical model does not take in to account the recognition performance obtained when using the model. While the problem of learning and representing models in a hierarchical form is interesting in its own right, the final criteria for judging the model in the context of a recognition problem should be recognition performance. The assumption is that the model should pick up substructures that are specific to a particular class of objects and maximally discriminate between objects belonging to other classes. For example, after a initial model is obtained that roughly captures the structure of the training data, it can be refined on-line during the recognition stage. 291 292 Utans Acknowledgements Initial work on this project was performed while the author was with the International Computer Science Institute, Berkeley, CA. At OGI supported was provided in part under grant ONR N00014-92-J-4062. Discussions with S. Knerr, E. Mjolsness and S. Omohundro were helpful in preparing this work. References Cooper, G. F. and Herskovits, E. (1992), 'A bayesian method for induction of probabilistic networks from data', Machine Learning 9, 309-347. Cooper, P. R. (1989), Parallel Object Recognition from Structure (The Tinkertoy Project), PhD thesis, University of Rochester, Computer Science. also Technical Report No. 301. Dempster, A. P., Laird, N. M. and Rubin, D. B. (1977), 'Maximum likelihood from incomplete data via the EM algorithm', J. Royal Statist. Soc. B 39, 1-39. Gindi, G., Mjolsness, E. and Anandan, P. (1991), Neural networks for model based recognition, in 'Neural Networks: Concepts, Applications and Implementations', Prentice-Hall, pp. 144-173. Jordan, M. I. and Jacobs, R. A. (1993), Hierarchical mixtures of experts and the EM algorithm, Technical Report 930 I, MIT Computational Cognitive Science. LeCun, Y., Boser, B., Denker, J. S., Henderson, D., Howard, R. E., Hubbard, W. and Jackel, L. D. (1989), 'Backpropagation applied to handwritten zip code recognition', Neural Computation 1,541-551. Marr, D. (1982), Vision, W. H. Freeman and Co., New York. Mjolsness, E. (1991), Bayesian inference on visual grammars by neural nets that optimize, Technical Report YALEU-DCS-TR-854, Yale University, Dept. of Computer Science. Mjolsness, E., Gindi, G. R. and Anandan, P. (1989), 'Optimization in model matching and perceptual organization', Neural Computation 1(2). Omohundro, S. M. (1991), Bumptrees for efficient function, constraint, and classification learning, in R. Lippmann, J. Moody and D. Touretzky, eds, 'Advances in Neural Information Processing 3', Morgan Kaufmann Publishers, San Mateo, CA. Pearl, J. (1988), Probabilistic Reasoning in Intelligent Systems: Networks of Plausible Inference, Morgan Kaufmann Publishers, Inc., San Mateo, CA. Saund, E. (1993), A multiple cause mixture model for unsupervised learning, Technical report, Xerox PARC, Palo Alto, CA. preprint, submitted to Neural Computation. Segen, J. (1988a), Learning graph models of shape, in 'Proceedings of the 5th International Conference on Machine Learning' . Segen, J. (1988b), 'Learning structural description of shape', Machine Vision pp. 257-269. Simard, P., LeCun, Y. and Denker, J. (1993), Efficient pattern recognition using a new transformation distance, in S. J. Hanson, J. Cowan and L. Giles, eds, 'Advances in Neural Information Processing 5', Morgan Kaufmann Publishers, San Mateo, CA. Ueda, N. and Suzuki, S. (1993), 'Learning visual models from shape contours using multiscale convex/concave structure matching' , IEEE Transactions on Pattern Analysis and Machine Intelligence 15(4), 337-352. Utans, J. (1992), Neural Networks for Object Recognition within Compositional Hierarchies, PhD thesis, Department of Electrical Engineering, Yale University, New Haven, CT 06520. Utans, J. (1993), Mixture models and the EM algorithm for object recognition within compositional hierarchies. part 1: Recognition, Technical Report TR-93-004, International Computer Science Institute, 1947 Center St., Berkeley, CA 94708. Utans, J. (1994), 'Mixture models for learning and recognition in compositional hierarchies', in preparation. Xu, L. and Pearl, J. (1987), Structuring causal tree models with continous variables, in 'Proceedings of the 3rd Workshop on Uncertainty in AI', pp. 170-179. Yuille, A., Stolorz, P. and Utans, J. (1994), 'Statistical physics, mixtures of distributions and the EM algorithm', to appear in Neural Computation. Zemel, R. S., Mozer, M. C. and Hinton, G. E. (1990), Traffic: Recognizing objects using hierarchical reference frame transformations, in D. S. Touretzky, ed., 'Advances in Neural Information Processing 2', Morgan Kaufman Pulishers, San Mateo, CA.
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Hoeffding Races: Accelerating Model Selection Search for Classification and Function Approximation Oded Maron Artificial Intelligence Laboratory Massachusetts Institute of Technology Cambridge, MA 02139 Andrew W. Moore Robotics Institute School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213 Abstract Selecting a good model of a set of input points by cross validation is a computationally intensive process, especially if the number of possible models or the number of training points is high. Techniques such as gradient descent are helpful in searching through the space of models, but problems such as local minima, and more importantly, lack of a distance metric between various models reduce the applicability of these search methods. Hoeffding Races is a technique for finding a good model for the data by quickly discarding bad models, and concentrating the computational effort at differentiating between the better ones. This paper focuses on the special case of leave-one-out cross validation applied to memorybased learning algorithms, but we also argue that it is applicable to any class of model selection problems. 1 Introduction Model selection addresses "high level" decisions about how best to tune learning algorithm architectures for particular tasks. Such decisions include which function approximator to use, how to trade smoothness for goodness of fit and which features are relevant. The problem of automatically selecting a good model has been variously described as fitting a curve, learning a function, or trying to predict future 59 60 Maron and Moore 0.22 '-' e'-' ~ = = ';: ~ 0.2 0.18 7a ;;>- 0.16 ~ 0.14 e U 0.12 1 3 5 7 9 k Nearest Neigh bors Used Figure 1: A space of models consisting of local-weighted-regression models with different numbers of nearest neighbors used. The global minimum is at one-nearestneighbor, but a gradient descent algorithm would get stuck in local minima unless it happened to start in in a model where k < 4. instances of the problem. One can think of this as a search through the space of possible models with some criterion of "goodness" such as prediction accuracy, complexity of the model, or smoothness. In this paper, this criterion will be prediction accuracy. Let us examine two common ways of measuring accuracy: using a test set and leave-one-out cross validation (Wahba and Wold, 1975) . ? The test set method arbitrarily divides the data into a training set and a test set. The learner is trained on the training set, and is then queried with just the input vectors of the test set. The error for a particular point is the difference between the learner's prediction and the actual output vector . ? Leave-one-out cross validation trains the learner N times (where N is the number of points), each time omitting a different point. We attempt to predict each omitted point. The error for a particular point is the difference between the learner's prediction and the actual output vector. The total error of either method is computed by averaging all the error instances. The obvious method of searching through a space of models, the brute force approach, finds the accuracy of every model and picks the best one. The time to find the accuracy (error rate) of a particular model is proportional to the size of the test set IT EST!, or the size of the training set in the case of cross validation . Suppose that the model space is discretized into a finite number of models IMODELSI then the amount of work required is O(IMODELSI x ITEST!), which is expensive. A popular way of dealing with this problem is gradient descent. This method can be applied to find the parameters (or weights) of a model. However, it cannot be used to find the structure (or architecture) of the modeL There are two reasons for Hoeffding Races: Accelerating Model Selection this. First, we have empirically noted many occasions on which the search space is peppered with local minima (Figure 1). Second, at the highest level we are selecting from a set of entirely distinct models, with no numeric parameters over which to hill-climb. For example, is a neural net with 100 hidden units closer to a neural net with 50 hiden units or to a memory-based model which uses 3 nearest neighbors? There is no viable answer to this question since we cannot impose a viable metric on this model space. The algorithm we describe in this paper, Hoeffding Races, combines the robustness of brute force and the computational feasibility of hill climbing. We instantiated the algorithm by specifying the set of models to be memory-based algorithms (Stanfill and Waltz, 1986) (Atkeson and Reinkensmeyer, 1989) (Moore, 1992) and the method of finding the error to be leave-one-out cross validation. We will discuss how to extend the algorithm to any set of models and to the test set method in the full paper. We chose memory-based algorithms since they go hand in hand with cross validation. Training is very cheap - simply keep all the points in memory, and all the algorithms of the various models can use the same memory. Finding the leave-one-out cross validation error at a point is cheap as making a prediction: simply "cover up" that point in memory, then predict its value using the current model. For a discussion of how to generate various memory-based models, see (Moore et al., 1992). 2 Hoeffding Races The algorithm was inspired by ideas from (Haussler, 1992) and (Kaelbling, 1990) and a similar idea appears in (Greiner and Jurisica, 1992). It derives its name from Hoeffding's formula (Hoeffding, 1963), which concerns our confidence in the sample mean of n independently drawn points Xl, ??. , X n . The probability of the estimated mean Ee3t ~ 2::l<i<n Xi being more than epsilon far away from the true mean E true after n independently drawn points is bounded by: = where B bounds the possible spread of point values. We would like to say that with confidence 1 - 8, our estimate of the mean is within ? of the true mean; or in other words, Pr(IEtrue - Ee3tl > f) < 8. Combining the two equations and solving for ? gives us a bound on how close the estimated mean is to the true mean after n points with confidence 1 - 8: _j ? - B 2 1og (2/6) 2n The algorithm starts with a collection of learning boxes. We call each model a learning box since we are treating the models as if they were black boxes. We are not looking at how complex or time-consuming each prediction is, just at the input and output of the box. Associated with each learning box are two pieces of information: a current estimate of its error rate and the number of points it has been tested upon so far. The algorithm also starts with a test set of size N. For leave-one-out cross validation, the test set is simply the training set. 61 62 Maron and Moore I ERROR ---------- ----------;; Uppez Bound o ~------r_----_+------~----~~----_r------+_----~------------learning box #0 learning box 411 learning box 112 learning box 413 learning box 114 learning box lIS learning box 116 Figure 2: An example where the best upper bound of learning box #2 eliminates learning boxes #1 and #5. The size of f varies since each learning box has its own upper bound on its error range, B. At each point in the algorithm, we randomly select a point from the test set. We compute the error at that point for all learning boxes, and update each learning box's estimate of its own total error rate. In addition, we use Hoeffding's bound to calculate how close the current estimate is to the true error for each learning box. We then eliminate those learning boxes whose best possible error (their lower bound) is still greater than the worst error of the best learning box (its upper bound); see Figure 2. The intervals get smaller as more points are tested, thereby "racing" the good learning boxes, and eliminating the bad ones. We repeat the algorithm until we are left with just one learning box, or until we run out of points. The algorithm can also be stopped once f has reached a certain threshhold. The algorithm returns a set of learning boxes whose error rates are insignificantly (to within f) different after N test points. 3 Proof of Correctness The careful reader would have noticed that the confidence {; given in the previous section is incorrect. In order to prove that the algorithm indeed returns a set of learning boxes which includes the best one, we'll need a more rigorous approach. We denote by ~ the probability that the algorithm eliminates what would have been the best learning box. The difference between ~ and {; which was glossed over in the previous section is that 1 - ~ is the confidence for the success of the entire algrithm, while 1 - {; is the confidence in Hoeffding's bound for one learning box Hoeffding Races: Accelerating Model Selection during one iteration of the algorithm. We would like to make a formal connection between Ll and {;. In order to do that, let us make the requirement of a correct algorithm more stringent. We'll say that the algorithm is correct if every learning box is within f of its true error at every iteration of the algorithm. This requirement encompasses the weaker requirement that we don't eliminate the best learning box. An algorithm is correct with confidence Ll if Pr{ all learning boxes are within f on all iterations} :2: 1 - Ll. We'll now derive the relationship between {; and Ll by using the disjunctive probability inequality which states that Pr{A V B} ~ Pr{A} + Pr{B}. Let's assume that we have n iterations (we have n points in our test set), and that we have m learning boxes (LBl .. ?LBm). By Hoeffding's inequality, we know that Pr{ a particular LB is within f on a particular iteration} :2: 1 - {; Flipping that around we get: Pr{ a particular LB is wrong on a particular iteration} < {; Using the disjunctive inequality we can say Pr{ a particular LB is a particular LB is wrong on iteration 1 V wrong on iteration 2 V a particular LB is wrong on iteration n} ~ {; . n Let's rewrite this as: Pr{ a particular LB is wrong on any iteration} ~ {; . n N ow we do the same thing for all learning boxes: LBl is wrong on LB2 is wrong on any iteration any iteration LBm is wrong on any iteration} ~ {; . n . m Pr{ some LB is wrong in some iteration} ~ {; . n . m Pr{ V V or in other words: We flip this to get: Pr{ all LBs are within f on all iterations} :2: 1 - {; . n . m Which is exactly what we meant by a correct algorithm with some confidence. Therefore, {; = n~m. When we plug this into our expression for f from the previous section, we find that we have only increased it by a constant factor. In other words, by pumping up f, we have managed to ensure the correctness of this algorithm with confidence Ll. The new f is expressed as: f = V~B-~-(l-Og-(-2-nm-n-)--I-O-g(-~-)-) 63 64 Maron and Moore Table 1: Test problems Problem ROBOT PROTEIN ENERGY POWER POOL DISCONT DescrIption 10 input attributes, 5 outputs. Given an initial and a final description of a robot arm, learn the control needed in order to make the robot perform devil-sticking (Schaal and Atkeson, 1993). 3 inputs, output is a classification into one of three classes. This is the famous protein secondary structure database, with some preprocessing (Zhang et al., 1992). Given solar radiation sensing, predict the cooling load for a building. This is taken from the Building Energy Predictor Shootout. Market data for electricity generation pricing period class for the new United Kingdom Power Market. The visually perceived mapping from pool table configurations to shot outcome for two-ball collisions (Moore, 1992). An artificially constructed set of points with many discontinuities. Local models should outperform global ones. Clearly this is an extremely pessimistic bound and tighter proofs are possible (Omohundro, 1993). 4 Results We ran Hoeffding Races on a wide variety of learning and prediction problems. Table 1 describes the problems, and Table 2 summarizes the results and compares them to brute force search. For Table 2, all ofthe experiments were run using Ll = .01. The initial set of possible models was constructed from various memory based algorithms: combinations of different numbers of nearest neighbors, different smoothing kernels, and locally constant vs. locally weighted regression. We compare the algorithms relative to the number of queries made, where a query is one learning box finding its error at one point. The brute force method makes ITESTI x ILEARNING BOXESI queries. Hoeffding Races eliminates bad learning boxes quickly, so it should make fewer querIes. 5 Discussion Hoeffding Races never does worse than brute force. It is least effective when all models perform equally well. For example, in the POOL problem, where there were 75 learning boxes left at the end of the race, the number of queries is only slightly smaller for Hoeffding Races than for brute force . In the ROBOT problem, where there were only 6 learning boxes left, a significant reduction in the number of queries can be seen. Therefore, Hoeffding Races is most effective when there exists a subset of clear winners within the initial set of models. We can then search over a very broad set of models without much concern about the computational expense Hoeffding Races: Accelerating Model Selection Table 2: Results of Brute Force vs. Hoeffding Races. Problem points Initial # learning boxes ROBOT PROTEIN ENERGY POWER POOL DISCONT 972 4965 2444 210 259 500 95 95 189 95 95 95 queries with Brute Force queries with Hoeffding Races learning boxes left 92340 471675 461916 19950 24605 47500 15637 349405 121400 13119 22095 25144 6 60 40 48 75 29 60000 60000 400 00 :;';0000 Figure 3: The x-axis is the size of a set of initial learning boxes (chosen randomly) and the y-axis is the number of queries to find a good model for the ROBOT problem. The bottom line shows performance by the Hoeffding Race algorithm) and the top line by brute force. 65 66 Maron and Moore of a large initial set. Figure 3 demonstrates this. In all the cases we have tested, the learning box chosen by brute force is also contained by the set returned from Hoeffding Races. Therefore, there is no loss of performance accuracy. The results described here show the performance improvement with relatively small problems. Preliminary results indicate that performance improvements will increase as the problems scale up. In other words, as the number of test points and the number of learning boxes increase, the ratio of the number of queries made by brute force to the number of queries made by Hoeffding Races becomes larger. However, the cost of each query then becomes the main computational expense. Acknowledgements Thanks go to Chris Atkeson, Marina Meila, Greg Galperin, Holly Yanco, and Stephen Omohundro for helpful and stimulating discussions. References [Atkeson and Reinkensmeyer, 1989] C. G. Atkeson and D. J. Reinkensmeyer. Using associative content-addressable memories to control robots. In W. T. Miller, R. S. Sutton, and P. J. Werbos, editors, Neural Networks for Control. MIT Press, 1989. [Greiner and Jurisica, 1992] R. Greiner and I. Jurisica. A statistical approach to solving the EBL utility problem. In Proceedings of the Tenth International conference on Artificial Intelligence (AAAI-92). MIT Press, 1992. [Haussler, 1992] D. Haussler. Decision theoretic generalizations of the pac model for neural net and other learning applications. Information and Computation, 100:78-150, 1992. [Hoeffding, 1963] Wassily Hoeffding. Probability inequalities for sums of bounded random variables. Journal of the American Statistical Association, 58:13-30, 1963. [Kaelbling, 1990] 1. P. Kaelbling. Learning in Embedded Systems. PhD. Thesis; Technical Report No. TR-90-04, Stanford University, Department of Computer Science, June 1990. [Moore et al., 1992] A. W. Moore, D. J. Hill, and M. P. Johnson. An empirical investigation of brute force to choose features, smoothers and function approximators. In S. Hanson, S. Judd, and T. Petsche, editors, Computational Learning Theory and Natural Learning Systems, Volume 9. MIT Press, 1992. [Moore, 1992] A. W. Moore. Fast, robust adaptive control by learning only forward models. In J. E. Moody, S. J. Hanson, and R. P. Lippman, editors, Advances in Neural Information Processing Systems 4. Morgan Kaufmann, April 1992. [Omohundro, 1993] Stephen Omohundro. Private communication, 1993. [Pollard, 1984] David Pollard. Convergence of Stochastic Processes. Springer-Verlag, 1984. [Schaal and Atkeson, 1993] S. Schaal and C. G. Atkeson. Open loop stable control strategies for robot juggling. In Proceedings of IEEE conference on Robotics and Automation, May 1993. [Stanfill and Waltz, 1986] C. Stanfill and D. Waltz. Towards memory-based reasoning. Communications of the A CM, 29(12):1213-1228, December 1986. [Wahba and Wold, 1975] G. Wahba and S. Wold. A completely automatic french curve: Fitting spline functions by cross-validation. Communications in Statistics, 4(1), 1975. [Zhang et al., 1992] X. Zhang, J.P. Mesirov, and D.L. Waltz. Hybrid system for protein secondary structure prediction. Journal of Molecular Biology, 225: 1049-1 063, 1992.
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A Network Mechanism for the Determination of Shape-From-Texture Ko Sakai and Leif H. Finkel Department of Bioengineering and Institute of Neurological Sciences University of Pennsylvania 220 South 33rd Street, Philadelphia, PA 19104-6392 [email protected], [email protected] Abstract We propose a computational model for how the cortex discriminates shape and depth from texture. The model consists of four stages: (1) extraction of local spatial frequency, (2) frequency characterization, (3) detection of texture compression by normalization, and (4) integration of the normalized frequency over space. The model accounts for a number of psychophysical observations including experiments based on novel random textures. These textures are generated from white noise and manipulated in Fourier domain in order to produce specific frequency spectra. Simulations with a range of stimuli, including real images, show qualitative and quantitative agreement with human perception. 1 INTRODUCTION There are several physical cues to shape and depth which arise from changes in projection as a surface curves away from view, or recedes in perspective. One major cue is the orderly change in the spatial frequency distribution of texture along the surface. In machine vision approaches, various techniques such as Fourier transformation or wavelet decomposition are used to determine spatial frequency spectra across a surface. The determination of the transformation relating these spectra is a difficult problem, and several techniques have been proposed such as an affine transformation (Super and Bovik 953 954 Sakai and Finkel 1992) or a momentum method (Krumm and Shafer 1992). We address the question of how a biological system which has access only to limited spatial frequency infonnation and has constrained computational capabilities can nonetheless accurately detennine shape and depth from texture. For example, the visual system might avoid the direct comparison of frequency spectra themselves and instead rely on a simpler characterization of the spectra such as the mean frequency, peak frequency, or the gradient of a frequency component (Sakai and Finkel 1993; Turner, Gerstein, Bajcsy 1991). In order to study what frequency infonnation is actually utilized by humans, we created novel random texture patterns and carried out psychophysical experiments with these stimuli. These patterns are generated by manipulating the frequency components of white noise stimuli in the Fourier domain so as to produce stimuli with exactly specified frequency spectra. Based on these experiments, we propose a network mechanism for the perception of shape-from-texture which takes into account physiological and anatomical constraints as well as computational considerations. 2 MODEL FOR SHAPE FROM TEXTURE The model consists of four major processes: extraction of the local spatial frequency at each orientation, frequency characterization, detennination of texture compression by frequency nonnalization, and the integration of the nonnalized frequency over space. A schematic illustration of the model is shown in figure 1. Our psychophysical experiments suggest that the visual system may use spatially averaged peak frequency for characterizing the frequency distribution. The change of surface orientation is determined from the locally aligned compression of texture which is detected by frequency normalization followed by lateral inhibition among different orientations. Depth is then computed from the integration of the normalized frequency over space. The model is implemented in feed-forward distributed networks and simulated using the NEXUS neural network simulator (Sajda, Sakai, Yen and Finkel 1993). 3 MOTIVATION FOR EACH STAGE OF THE MODEL The frequency extraction is carried out by units modeling complex cells in area VI. These units have subunits with On and Off center difference of Gaussian(DOG) masks tuned to specific frequencies and orientations. The units take local maximum of the subunits. As in energy-based models (Bergen and Adelson 1989; Malik and Perona 1990), these units accomplish some major aspects of complex cell functions in the space domain including invariance to the direction of contrast and spatial phase. The second stage of the model extracts spatially averaged peak frequency. In order to examine what frequency infonnation is actually utilized by humans, we created random texture patterns with specific frequency spectra generated by manipulating the frequency components of a white noise pattern in Fourier domain. Figure 2 shows a vertical cylinder and a tilted perspective plane constructed by this technique from white noise. We are able to see the three dimensional shape of the cylinder in (1). The stimuli were constructed by making each frequency component undergo a step change at some A Network Mechanism for the Determination of Shape-from-Texture Early Vision Stage Frequency CharacterizatIOn Frequency Normalization and Lateral Inhibition Integration Figure 1. A schematic illustration of the shape-from-texture model consisting of four major stages. The early vision stage models major spatial properties of complex cells in order to decompose local spatial frequency. The second stage characterizes the frequency by the spatially averaged peak frequency. The third stage detects locally aligned texture compression by normalizing frequency and taking lateral inhibition among orientation channels. The last stage determines 3D depth by integrating the amount of texture compression - which corresponds to the local surface slant. Indices "f' and "0" denote frequency and orientation channels, respectively. max, min, ave, and LI stand for taking maximum, minimum, average, and lateral inhibition. The vertical bar indicates that the function is processed independently within each of denoted channels. 955 956 Sakai and Finkel position along the cylinder; higher frequencies undergo the change at positions closer to the cylinder's edges. Since the gradient of each frequency component is always either zero or infinity, this suggests that gradients of individual frequency components over space do not serve as a dominant cue for three dimensional shape perception. Similar experiments have been conducted using various stimuli with controlled frequency spectra. The results of these experiments suggest that averaged peak frequency is a strong cue for the human perception of three dimensional shape and depth. The third stage of the model normalizes local frequencies by the global lowest frequency on the surface. We assume that the region containing the global lowest frequency is the frontal plane standing vertically with respect to the viewer. One of the justifications for this assumption can be seen in simple artificial images shown in figure 3. In both (l) and (2), the bottom region looks vertical to us, and the planes above this region looks slanted, although the patterns of the center region of (1) and the lower region of (2) are identical. From a computational point of view, the normalization of frequency corresponds to an approximation of the relation between local slant and spatial frequency. Depth, Z, as a function of X (see figure 4) is given by: Z(x) = JX tan { cos- I ( Fo ) }dx = xo F(x) Jx eq.(l) Xo where Fo is the global lowest frequency. Considering a boundary condition, Z(x) = 0, if F(x) = Fo, the integrand can be reasonably approximated by (F(x) - Fo) I Fo . The second stage of the model actually computes this value, and a later stage carries out the integration. Figure 2. Random texture patterns generated by manipulating the frequency components of white noise in Fourier domain. A horizontal cylinder embedded in white noise (1) , and a tilted plane (2). A Network Mechanism for the Determination of Shape-frorn-Texture The second half of this stage detects the local alignment of texture compression. This local alignment is detected by taking the lateral inhibition of normalized frequencies among different orientations. Recent psychophysical experiments (Todd and Akerstrom 1987; Cumming, Johnson, and Parker 1993) show that the compression of texture in a single orientation is a cue for the perception of shape-from-texture. We can confirm this result from figure 5. Three images on the top of this figure have compression in a single orientation, but those on the bottom do not. We clearly see smooth three dimensional ellipsoids from the top images but not from the bottom images. The last stage of the model computes the integral of the nonnalized frequency in order to obtain depth. This integration begins from the region with lowest spatial frequency and follows the path of the local steepest descent in spatial frequency . ... ............ ... ............... ... ...... ... ......... --... ............ ...?????????? .........-- ...... ... ......-?????????? ~~ ~---~~.-..~---~ .-..-. ........................ .-..-. ......... ~ ~-.-.-...-, ~.-..- -..-. ~ ~ ~-.~-- ~.-..-..- ~-- ?? ????????? ?? ????????? ????????? ????????? ?????????? ?????????? ?????????? ?????????? ?????????? ?????????? ?????????? ?????????? Figure 3. Objects consist of three planes(left), and two planes(right). In both stimuli, the bottom regions look vertical to us, and the planes above this region look slanted, although the patterns of the center region of (1) and the lower region of (2) are identical. Depth: Z(x) Z(X-V Xo x Figure 4. The coordinate system for the equation (1). Depth, Z, is given as a function of position, X. 957 958 Sakai and Finkel 4 SIMULATIONS A quantitative test of the model was carried out by constructing ellipsoids with different eccentricities and texture patterns shown in figure 5. Results are plotted in figure 6. For the regular ellipsoids, there is a linear relation between real depth and that determined by the model. This linear relation agrees with psychophysical experiments (Todd and Akerstrom 1987; Biilthoff 1991) showing similar human performance for such stimuli. All of the irregular texture patterns produced little perception of depth, in agreement with human performance. Many artificial and real images have been tested with the model and show good agreement with human perception. For an example, a real image of a part of cantaloupe, and its computed depth are shown in figure 7. Real images were obtained with a CCD camera and were input to NEXUS via an Imaging Technology's S151 image processor. et!~, .. .... .. ?????????? _.,.. ?????.?.tr .. , ,,.... ,. ...:". ..... ? 1? ??? ? ??? ?? :.,.,.. ~ . ... ... , .. ~ ' -, " J" ? ? ? ? ? ? ',-... -'1' , ... \ r J./,.. ??? I,' ,II ? ? ? ? , ,",t", ..!ii.,. .. , . , ',' _ I ' ,I. . .,? .. ?.? ... ?? ?? ' ... ...?? ? '0 ? .. .. ???? ' ? .' ?? ' ????? .. -... .. ??? . ," :'~. ?? ?0' Figure 5. (Top) Regular ellipsoids with eccentricities of 1,2, and 4. (Bottom) Irregular texture patterns: (left) no compression with regular density change, (middle) randomly oriented regular compression, (right) pan-orientational regular compression. A Network Mechanism for the Determination of Shape-from-Texture 400 ,, ,, ..c ..... 300 , .' 0.. Q) Q -e ~ ,, 200 C';$ ," ,, "'3 .- E 100 f/.) o , , , , -.... Ia- o 1 -- 2 -. ~- 3 4 5 c regular ellipsoids ? no compression ? randomly oriented compression ? pan-orientational compression 6 Eccentricity Figure 6. Depth perceived by the model as a function of actual eccentricity. The simulated depth of regular ellipsoids shows a linear relation to the actual depth. Irregular patterns produced little depth, in agreement with human perception. Figure 7. An example of the model's response to a real image. A part of cantaloupe (left), and its depth computed by the model(right). 5 CONCLUSIONS (1) We propose a biologically-based network model of shape-from-texture based on the determination of change in spatial frequency. (2) Preliminary psychophysical evidence suggests that the spatially averaged peak frequency is employed to characterize the spatial frequency distribution rather than using a frequency spectrum or each component of frequency. 959 960 Sakai and Finkel (3) This characterization is validated by psychophysical experiments using novel random textures with specified frequency spectra. The patterns are generated from white noise and manipulated in Fourier domain in order to realize specific frequency characteristics. (4) The model has been tested with a number of artificial stimuli and real images taken by video camera. Responses show qualitative and quantitative agreements with human perception. Acknowledgments This work is supported by grants from The Office of Naval Research (NOOOI4-90-J-1864, NOOOI4-93-1-0681), The Whitaker Foundation, and The McDonnell-Pew Program in Cognitive Neuroscience. References Super, B.J. and Bovik, A.C. (1992), Shape-from-texture by wavelet-based measurement of local spectral moments. Proc. IEEE CVPR 1992, p296-300 Krumm, J. and Shafer, S.A. (1992), Shape from periodic texture using the spectrogram. Proc. IEEE CVPR 1992, p284-289 Sakai, K. and Finkel, L.H. (1994), A cortical mechanism underlying the perception of shape-from-texture. In F.Eeckman, et al.(ed.), Computation and Neural Systems 1993 , Norwell, MA: Kluwer Academic Publisher [in press] Sajda, P., Sakai, K., Yen, S-c., and Finkel, L.H. (1993), In Skrzypek, J. (ed.), Neural Network Simulation Environments, Norwell, MA: Kluwer Academic Publisher[in press] Bergen, J.R. and Adelson, E.H. (1988), Visual texture segmentation and early vision. Nature, 333, p363-364 Malik, J. and Perona, P. (1990), Preattentive texture discrimination with early vision mechanisms. J. Opt. Soc. Am., A Vol.7, No.5, p923-932 Cumming, B.G., Johnston, E.B., and Parker, A.J. (1993), Effects of different texture cues on curved surfaces viewed stereoscopically. Vision Res. Vol.33, N05, p827-838 Todd, J. T. and Akerstrom, R.A. (1987), Perception of three-dimensional form from patterns of optical texture. Journal of Experimental Psychology, vol. I 3, No.2, p242-255, Turner, M.R., Gerstein, G.L., and Bajcsy, R. (1991), Underestimation of visual texture slant by human observers: a model. Bioi. Cybern. 65, p215-226 Btilthoff, H.H. (1991), Shape from X: Psychophysics and computation. In Landy, M.S., et al.(ed.) Computational Models of Visual Processing, Cambridge, MA: MIT press, p305-330
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Robust Reinforcement Learning Motion Planning ? In Satinder P. Singh'" Department of Brain and Cognitive Sciences Massachusetts Institute of Technology Cambridge, MA 02139 [email protected] Andrew G. Barto, Roderic Grupen, and Christopher Connolly Department of Computer Science University of Massachusetts Amherst, MA 01003 Abstract While exploring to find better solutions, an agent performing online reinforcement learning (RL) can perform worse than is acceptable. In some cases, exploration might have unsafe, or even catastrophic, results, often modeled in terms of reaching 'failure' states of the agent's environment. This paper presents a method that uses domain knowledge to reduce the number of failures during exploration. This method formulates the set of actions from which the RL agent composes a control policy to ensure that exploration is conducted in a policy space that excludes most of the unacceptable policies. The resulting action set has a more abstract relationship to the task being solved than is common in many applications of RL. Although the cost of this added safety is that learning may result in a suboptimal solution, we argue that this is an appropriate tradeoff in many problems. We illustrate this method in the domain of motion planning. "'This work was done while the first author was finishing his Ph.D in computer science at the University of Massachusetts, Amherst. 655 656 Singh, Barto, Grupen, and Connolly An agent using reinforcement learning (Sutton et al., 1991; Barto et al., to appear) (RL) to approximate solutions to optimal control problems has to search, or explore, to improve its policy for selecting actions. Although exploration does not directly affect performance (Moore & Atkeson, 1993) in off-line learning with a model of the environment, exploration in on-line learning can lead the agent to perform worse than is acceptable. In some cases, exploration might have unsafe, or even catastrophic, results, often modeled in terms of reaching 'failure' states of the agent's environment. To make on-line RL more practical, especially if it involves expensive hardware, task-specific minimal levels of performance should be ensured during learning, a topic not addressed by prior RL research. Although the need for exploration cannot be entirely removed, domain knowledge can sometimes be used to define the set of actions from which the RL agent composes a control policy so that exploration is conducted in a space that excludes most of the unacceptable policies. We illustrate this approach using a simulated dynamic mobile robot in two different environments. 1 Closed-loop policies as actions RL agents search for optimal policies in a solution space determined in part by the set of actions available to the agent. With a few exceptions (e.g., Mahadevan & Connell, 1990; Singh, 1992), researchers have formulated RL tasks with actions that are primitive in the sense that they are low-level, are available in very state, are executed open-loop, and last a single time-step. We propose that this is an arbitrary, and self-imposed, restriction, and that in general the set of actions can have a much more abstract relationship to the problem being solved. Specifically, what are considered 'actions' by the RL algorithm can themselves be closed-loop control policies that meet important subgoals of the task being solved. In this paper, the following general advantages afforded by using closed-loop policies as actions are demonstrated in the domain of motion planning: 1. It is possible to design actions to meet certain hard constraints so that RL maintains acceptable performance while simultaneously improving performance over time. 2. It is possible to design actions so that the action space for the learning problem has fewer dimensions than the actual dimension of the physical action space. The robustness and greatly accelerated learning resulting from the above factors can more than offset the cost of designing the actions. However, care has to be taken in defining the action space to ensure that the resulting policy space contains at least one policy that is close to optimal. 2 RL with Dirichlet and Neumann control policies The motion planning problem arises from the need to give an autonomous robot the ability to plan its own motion, i.e., to decide what actions to execute in order to achieve a task specified by initial and desired spatial arrangements of objects. Robust Reinforcement Learning in Motion Planning First consider geometric path planning, i.e., the problem of finding safe paths for a robot with no dynamical constraints in an environment with stationary obstacles . A safe path in our context is one that avoids all obstacles and terminates in a desired configuration. Connolly (1992) has developed a method that generates safe paths by solving Laplace's equation in configuration space with boundary conditions determined by obstacle and goal configurations (also see, Connolly & Grupen, 1993). Laplace's equation is the partial differential equation n V2ljJ {j2ljJ L {)x~ = 0, i=l (1) I whose solution is a harmonic function, ljJ, with no interior local minima. In practice, a finite difference approximation to Equation 1 is solved numerically via Gauss Sidel relaxation on a mesh over configuration space. Safe paths are generated by gradient descent on the resulting approximate harmonic function. In the general motion planning problem, we are interested in finding control policies that not only keep the robot safe but also extremize some performance criterion, e.g., minimum time, minimum jerk, etc. Two types of boundary conditions, called Dirichlet and Neumann boundary conditions, give rise to two different harmonic functions , <I> D and <I> N, that generate different types of safe paths . Robots following paths generated from <I> D tend to be repelled perpendicularly from obstacles. In contrast, robots following paths generated from <I>N tend to skirt obstacles by moving parallel to their boundaries. Although the state space in the motion planning problem for a dynamic robot in a planar environment is {x, x, y, if}, harmonic functions are derived in two-dimensional position space. These functions are inexpensive to compute (relative to the expense of solving the optimal control problem) because they are independent of the robot dynamics and criterion of optimal control. The closed-loop control policies that follow the gradient of the Dirichlet or Neumann solutions, respectively denoted 1rD and 1rN, are defined approximately as follows: 1rD(S) V<I>D(?), and 1rN(S) V<I>N(?), where ? is the projection of the state s onto position space .1 = = Instead of formulating the motion planning problem as a RL task in which a control policy maps states into primitive control actions, consider the formulation in which a policy maps each state s to a mixing parameter k( s) so that the actual action is : [1- k(S)]1rD(S) + [k(S)]1rN(S) , where 0 ~ k(s) ~ 1. Figure 1B shows the structure of this kind of policy. In Appendix B, we present conditions guaranteeing that for a robot with no dynamical constraints, this policy space contains only acceptable policies, i.e., policies that cause the robot to reach the goal configuration without contacting an obstacle. Although this guarantee does not strictly hold when the robot has dynamical constraints, e.g., when there are bounds on acceleration, this formulation still reduces the risk of unacceptable behavior. 3 Simulation Results In this paper we present a brief summary of simulation results for the two environments shown in Figures 2A and 3A. See Singh (1993) for details. The first 1 In practice, the gradients of the harmonic functions act as reference signals to a PDcontroller. 657 658 Singh, Barto, Grupen, and Connolly environment consists of two rooms connected by a corridor. The second environment is a horseshoe-shaped corridor. The mobile robot is simulated as a unit-mass that can accelerate in any direction. The only dynamical constraint is a bound on the maximum acceleration. Q(state. action) A B (s) Policy 1 k(s) State (s) Policy 1 - k(s) X ? X Y state (s) ? Y k PoliCy 2 Neumann mixing coefficient (s) Figure 1: Q-Iearning Network and Policy Structure. Panel A: 2-layer Connectionist Network Used to Store Q-values. Network inversion was used to find the maximum Q-value (Equation 2) at any state and the associated greedy action. The hidden layer consists of radial-basis units. Panel B: Policy Structure. The agent has to learn a mapping from state s to a mixing coefficient 0 < k( s) < 1 that determines the proportion in which to mix the actions specifies by the pure Dirichlet and Neumann policies. The learning task is to approximate minimum time paths from every point inside the environment to the goal region without contacting the boundary wall. A reinforcement learning algorithm called Q-Iearning (Watkins, 1989) (see Appendix A) was used to learn the mixing function, k. Figure lA shows the 2-layer neural network architecture used to store the Q-values. The robot was trained in a series of trials, each trial starting with the robot placed at a randomly chosen state and ending when the robot enters the goal region. The points marked by stars in Figures 2A and 3A were the starting locations for which statistics were collected to produce learning curves. Figures 2B, 2C, 3A and 3B show three robot trajectories from two randomly chosen start states; the black-filled circles mark the Dirichlet trajectory (labeled D), the white-filled circles mark the Neumann trajectory (labeled N), and the grey-filled circles mark the trajectory after learning (labeled Q). Trajectories are shown by taking snapshots of the robot at every time step; the velocity of the robot can be judged by the spacing between successive circles on the trajectory. Figure 2D shows the mixing function for zero-velocity states in the two-room environment, while Figure 3C shows the mixing function for zero velocity states in the horseshoe environment. The darker the region, the higher the proportion of the Neumann Robust Reinforcement Learning in Motion Planning policy in the mixture. In the two-room environment, t.he agent learns to follow the Neumann policy in the left-hand room and to follow the Dirichlet policy in the right-hand room. Figure 2E shows the average time to reach the goal region as a function of the number of trials in the two-room environment. The solid-line curve shows the performance of the Q-Iearning algorithm. The horizontal lines show the average time to reach the goal region for the designated pure policies. Figure 3D similarly presents the results for the horseshoe environment. Note that in both cases the RL agent learns a policy that is better than either the pure Dirichlet or the pure Neumann policies. The relative advantage of the learned policy is greater in the two-room environment than in the horseshoe environment . On the two-room environment we also compared Q-Iearning using harmonic functions, as described above, with Q-Iearning using primitive accelerations of the mobile robot as actions. The results are summarized along three dimensions: a) speed of learning: the latter system took more than 20,000 trials to achieve the same level of performance achieved by the former in 100 trials, b) safety: the simulated robot using the latter system crashed into the walls more than 200 times, and c) asymptotic performance: the final solution found by the latter system was 6% better than the one found by the former. 4 Conclusion Our simulations show how an RL system is capable of maintaining acceptable performance while simultaneously improving performance over time. A secondary motivation for this work was to correct the erroneous impression that the proper, if not the only, way to formulate RL problems is with low-level actions. Experience on large problems formulated in this fashion has contributed to the perception that RL algorithms are hopelessly slow for real-world applications. We suggest that a more appropriate way to apply RL is as a "component technology" that uses experience to improve on partial solutions that have already been found through either analytical techniques or the cumulative experience and intuitions of the researchers themselves. The RL framework is more abstract, and hence more flexible, than most current applications of RL would lead one to believe. Future applications of RL should more fully exploit the flexibility of the RL framework. A Q-learning On executing action a in state function is performed: St at time t, the following update on the Q-value where R( St, a) is the payoff, 0 ::; I ::; 1 is the discount factor, and a is a learning rate parameter. See Watkins (1989) for further details. 659 660 Singh, Barto, Grupen, and Connolly A * * * * * * * * * . -----------------GOAl . * B E 7000 8000 ~ Q-Iearning Neumann Dirichlet 5000 CJ .&:. CJ c _0 m ex: 0 300 0 Q) E i= 2000 Q) C) ca .... Q) ~ 00 0 9000 18000 27000 3eOOO 45000 Number of Trials Figure 2: Results for the Two-Room Environment . Panel A: Two-Room Environment. The stars mark the starting locations for which statistics were computed . Panel B: Sample Trajectories from one Starting Location. The black-filled circles labeled D show a pure Dirichlet trajectory, the white-filled circles labeled N show a pure Neumann trajectory, and the grey-filled circles labeled Q show the trajectory after learning. The trajectories are shown by taking snapshots at every time step; the velocity of the robot can be judged by the distance between successive points on the trajectory. Panel C: Three Sample Trajectories from a Different Starting Location. Panel D: Mixing Function Learned by the Q-Iearning Network for Zero Velocity States. The darker the region the higher the proportion of the Neumann policy in the resulting mixture. Panel E: Learning Curve. The curve plots the time taken by the robot to reach the goal region, averaged over the locations marked with stars in Panel A, as a function of the number of Q-Iearning trials. The dashed line shows the average time using the pure Neumann policy; the dotted line for the pure Dirichlet policy; and the solid line for Q-Iearning. The mixed policy formed by Q-Iearning rapidly outperforms both pure harmonic function policies. Robust Reinforcement Learning in Motion Planning A * * * * * B * ?? ? ? ??? ? M ?? ? ? M ???? _ ? ? ? ? M . . . . . . . . . . . . . . . . ._ . . . . . . . . . . . . . . , ? ? ? ? ? ? ??????? _ .................... . . _ . . ..................... . .... _ ? ? ?? M 20000 .......... 1... .. D G ~ 1&000 <!J s= m a::: $2 '0000 Q-Iearning Neumann Dirichlet Q) : ) ? N ?: ? 8Do ____ ??? __ A. __ ? A.._ GOAL E ~ Q) ~ ------------------------_. Q) ~ ooo~--------~,oooo~------~~~-------~~------~ Number of_Trials Figure 3: Results for the Horseshoe Environment . Panel A: Horseshoe-Shaped Environment. Locations marked with stars are the starting locations for which statistics were computed. It also shows sample trajectories from one starting location; the black-filled circles marked D show a Dirichlet trajectory, the white-filled circles marked N show a Neumann trajectory, and the grey-filled circles marked Q show the trajectory after learning. The trajectories are shown by taking snapshots at every time step; the velocity of the robot can be judged by the distance between successive points on the trajectory. Panel B: Three Sample Trajectories from a Different Starting Location. Panel C: Mixing Function Learned by the Q-Iearning Network for Zero Velocity States. The darker the region the higher the proportion of the Neumann policy in the resulting mixture. Panel D: Learning Curve. The curve plots the time taken by the robot to reach the goal region, averaged over the locations marked with stars in Panel A, as a function of the number of Q-Iearning trials. The dashed line shows the average time for the pure Neumann policy; the dotted line for the pure Dirichlet policy; and the solid line for Q-Iearning. Q-Iearning rapidly outperforms both pure harmonic function policies. 661 662 Singh, Barto, Grupen, and Connolly B Safety Let L denote the surface whose gradients at any point are given by the closed-loop policy under consideration. Then for there to be no minima in L, the gradient of L should not vanish in the workspace, i.e., (1- k(S?\7<1>D(S) + k(S)\7<1>N(S) ;/; O. The only way it can vanish is if 'Vi k(s) 1- k(s) (3) where [?Ji is the ith component of vector [.J. The algorithm can explicitly check for that possibility and prevent it. Alternatively, note that due to the finite precision in any practical implementation, it is extremely unlikely that Equation 3 will hold in any state. Also note that 7r( s) for any point s on the boundary will always point away from the boundary because it is the convex sum of two vectors, one of which is normal to the boundary, and the other of which is parallel to the boundary. Acknowledgements This work was supported by a grant ECS-9214866 to Prof. A. G. Barto from the National Science Foundation, and by grants IRI-9116297, IRI-9208920, and CDA8922572 to Prof. R. Grupen from the National Science Foundation. References Barto, A.G., Bradtke, S.J., & Singh, S.P. (to appear). Learning to act using realtime dynamic programming. Artificial Intelligence. Connolly, C . (1992). Applications of harmonic functions to robotics. In The 1992 International Symposium on Intelligent Control. IEEE. Connolly, C. & Grupen, R. (1993). On the applications of harmonic functions to robotics. Journal of Robotic Systems, 10(7), 931-946. Mahadevan, S. & Connell, J. (1990). Automatic programming of behavior-based robots using reinforcement learning . Technical report, IBM Research Division, T.J.Watson Research Center, Yorktown Heights, NY. Moore, A.W. & Atkeson, C.G. (1993). Prioritized sweeping: Reinforcement learning with less data and less real time. Machine Learning, 13(1). Singh, S.P. (1992). Transfer of learning by composing solutions for elemental sequential tasks. Machine Learning, 8(3/4), 323-339. Singh, S.P. (1993). Learning to Solve Markovian Decision Processes. PhD thesis, Department of Computer Science, University of Massachusetts. also, CMPSCI Technical Report 93-77. Sutton, R.S ., Barto, A.G., & Williams, R.J. (1991). Reinforcement learning is direct adaptive optimal control. In Proceedings of the American Control Conference, pages 2143-2146, Boston, MA. Watkins, C.J.C.H. (1989). Learning from Delayed Rewards. PhD thesis, Cambridge Univ ., Cambridge, England.
843 |@word trial:8 inversion:1 proportion:4 open:1 grey:3 simulation:3 solid:3 initial:1 configuration:5 contains:2 series:1 selecting:1 outperforms:2 current:1 mesh:1 plot:2 update:1 stationary:1 greedy:1 fewer:1 intelligence:1 ith:1 location:10 successive:3 height:1 unacceptable:3 along:1 direct:1 differential:1 corridor:2 symposium:1 grupen:8 consists:2 inside:1 behavior:2 themselves:2 planning:11 brain:1 actual:2 panel:13 mass:1 what:2 kind:1 developed:1 finding:2 guarantee:1 every:4 act:2 iearning:15 ensured:1 control:14 unit:2 grant:2 appear:2 safety:3 local:1 sutton:2 meet:2 path:9 approximately:1 might:2 black:3 averaged:2 practical:2 practice:2 projection:1 radial:1 suggest:1 cannot:1 close:1 interior:1 onto:1 judged:3 context:1 risk:1 restriction:1 imposed:1 demonstrated:1 center:1 map:2 primitive:3 iri:2 starting:8 williams:1 convex:1 formulate:1 pure:12 his:1 autonomous:1 laplace:2 programming:2 us:2 designing:1 velocity:7 expensive:1 labeled:6 solved:4 enters:1 region:9 connected:1 removed:1 intuition:1 environment:22 reward:1 dynamic:4 trained:1 singh:11 solving:2 division:1 basis:1 accelerate:1 univ:1 artificial:1 whose:2 solve:1 ability:1 statistic:3 final:1 online:1 advantage:2 analytical:1 took:1 propose:1 loop:6 rapidly:2 mixing:8 flexibility:1 achieve:2 elemental:1 neumann:17 produce:1 guaranteeing:1 executing:1 object:1 illustrate:2 andrew:1 involves:1 direction:1 safe:6 correct:1 exploration:8 wall:2 exploring:1 strictly:1 hold:2 considered:1 normal:1 mapping:1 mit:1 always:1 reaching:2 mobile:3 barto:9 derived:1 finishing:1 check:1 greatly:1 contrast:1 sense:1 unlikely:1 cmpsci:1 hidden:1 interested:1 flexible:1 denoted:1 plan:1 spatial:1 shaped:2 future:1 connectionist:1 report:2 intelligent:1 few:1 perpendicularly:1 randomly:2 simultaneously:2 national:2 delayed:1 possibility:1 mixture:3 capable:1 partial:2 experience:3 filled:9 desired:2 circle:10 skirt:1 minimal:1 obstacle:6 markovian:1 formulates:1 cost:2 connolly:9 conducted:2 st:2 international:1 amherst:2 workspace:1 off:1 thesis:2 worse:2 cognitive:1 american:1 star:5 summarized:1 coefficient:2 explicitly:1 vi:1 performed:1 closed:5 start:1 maintains:1 parallel:2 formed:1 trajectory:20 researcher:2 composes:2 reach:5 failure:3 inexpensive:1 associated:1 massachusetts:4 knowledge:2 oooo:1 cj:2 higher:3 follow:3 planar:1 ooo:1 formulation:2 done:1 execute:1 hand:2 horizontal:1 christopher:1 believe:1 former:2 hence:1 moore:2 white:3 during:2 self:1 yorktown:1 criterion:2 impression:1 motion:11 bradtke:1 roderic:1 harmonic:10 consideration:1 common:1 rl:22 physical:1 ji:1 subgoals:1 he:1 numerically:1 cambridge:3 rd:3 automatic:1 similarly:1 moving:1 robot:25 surface:1 etc:1 own:1 store:2 certain:1 watson:1 minimum:5 greater:1 care:1 signal:1 dashed:2 mix:1 reduces:1 technical:2 england:1 sometimes:1 robotics:2 achieved:1 spacing:1 addressed:1 tend:2 mahadevan:2 jerk:1 affect:1 architecture:1 suboptimal:1 reduce:1 tradeoff:1 cause:1 action:25 discount:1 ph:1 hardware:1 extremize:1 generate:1 specifies:1 dotted:2 prevent:1 excludes:2 relaxation:1 sum:1 decide:1 realtime:1 decision:1 acceptable:5 appendix:2 entirely:1 bound:2 layer:3 constraint:5 afforded:1 generates:1 speed:1 extremely:1 formulating:1 connell:2 performing:1 department:3 designated:1 terminates:1 psyche:1 taken:3 equation:6 available:2 apply:1 away:1 appropriate:2 robustness:1 dirichlet:13 ensure:2 maintaining:1 exploit:1 especially:1 prof:2 added:1 arrangement:1 contacting:2 already:1 gradient:5 distance:2 simulated:3 topic:1 argue:1 collected:1 modeled:2 relationship:2 executed:1 expense:1 repelled:1 rise:1 design:2 implementation:1 proper:1 policy:44 perform:2 contributed:1 snapshot:3 finite:2 horseshoe:6 descent:1 defining:1 payoff:1 rn:3 arbitrary:1 sweeping:1 crashed:1 specified:1 learned:3 unsafe:2 dynamical:4 perception:1 improve:2 technology:2 brief:1 ljj:1 prior:1 geometric:1 acknowledgement:1 relative:2 asymptotic:1 fully:1 mixed:1 foundation:2 agent:12 ibm:1 summary:1 placed:1 last:1 supported:1 institute:1 taking:3 boundary:9 dimension:3 curve:6 ending:1 avoids:1 world:1 cumulative:1 author:1 reinforcement:10 adaptive:1 atkeson:2 ec:1 approximate:3 keep:1 satinder:1 robotic:1 alternatively:1 search:2 learn:2 transfer:1 robust:4 ca:1 composing:1 improving:2 domain:4 motivation:1 fashion:1 darker:3 slow:1 ny:1 precision:1 position:2 vanish:2 watkins:3 learns:2 erroneous:1 specific:1 offset:1 sequential:1 phd:2 boston:1 explore:1 hopelessly:1 determines:1 ma:3 goal:10 formulated:2 marked:7 acceleration:3 prioritized:1 room:10 hard:1 determined:2 specifically:1 called:2 secondary:1 catastrophic:2 gauss:1 la:1 exception:1 mark:4 latter:3 arises:1 accelerated:1 ex:1
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Complexity Issues in Neural Computation and Learning V. P. Roychowdhnry School of Electrical Engineering Purdue University West Lafayette, IN 47907 Email: [email protected] K.-Y. Sin Dept.. of Electrical & Compo Engr. U ni versit.y of California at Irvine Irvine, CA 92717 Email: [email protected] The general goal of this workshop was to bring t.ogether researchers working toward developing a theoretical framework for the analysis and design of neural networks. The t.echnical focus of the workshop was to address recent. developments in understanding the capabilities and limitations of variolls modds for neural computation and learning. The primary topics addressed the following three areas: 1) Computational complexity issues in neural networks, 2) Complexity issues in learning, and 3) Convergence and numerical properties of learning algorit.hms. Other topics included experiment.al/simulat.ion results on neural llet.works, which seemed to pose some open problems in the areas of learning and generalizat.ion properties of feedforward networks. The presentat.ions and discussions at the workshop highlighted the int.erdisciplinary nature of research in neural net.works . For example, several of the present.at.ions discussed recent contributions which have applied complexity-theoretic techniques to characterize the computing power of neural net.works, t.o design efficient neural networks, and t.o compare the computational capabilit.ies of neural net.works wit.h that. of convent.ional models for comput.ation . Such st.udies, in t.urn, have generated considerable research interest. among computer scient.ists, as evidenced by a significant number of research publications on related topics . A similar development can be observed in t.he area of learning as well: Techniques primarily developed in the classical theory of learning are being applied to understand t.he generalization and learning characteristics of neural networks. In [1, 2] attempts have been made to integrate concept.s from different areas and present a unifie(i treatment of the various results on the complexity of neural computation ancllearning. In fact, contributions from several part.icipants in the workshop are included in [2], and interested readers could find det.ailed discussions of many of the n-~sults IHesented at t.he workshop in [2] . Following is a brief descriptioll of the present.ations, along with the Hames and email addresses of the speakers. W. Maass (maa.~.~@igi . tu-gT?(Jz.(!(" . at) and A . Sakurai ([email protected].,ip) made preseutatiol1s Oll tlw VC-dimension and t.he comput.ational power of feedforwarcl neural net.works . Many neural net.s of depth 3 (or larger) with linear threshold gat.es have a VC-dimf'usion t.hat. is superlinear in t.he number of weights of the net. The talks presPllted llPW results which establish 1161 1162 Roychowdhury and Siu effective upper bounds and almost. t.ight lower boun(ls on t.he VC-dimension of feedforward networks with various activation functions including linear threshold and sigmoidal functions. Such nonlinear lower bounds on t.he VC-dimension were also discussed for networks with bot.h integer and rea.l weights . A presentation by G. Turan (@VM.CC.PURDUE.EDU:Ul1557@UICVM) discussed new result.s on proving lower bounds on t.he size of circuits for comput.ing specific Boolean functions where each gate comput.es a real-valued function. In particular the results provide a lower bound for t.he size of formulas (i.e., circuit.s wit.h fan-out 1) of polynomial gates, computing Boolean func.t.ions in t.he sensp. of sign-representation. The presentations on learning addressed both sample allli algorithmic complexity. The t.alk by V. Cast.elli ([email protected]) and T. Cover st.udip.d the role of labeled and unlabeled samples in pat.tern recognit.ion. Let. samples be chosen from two populations whose distribut.ions are known, and ld the proport.ion (mixing parameter) of the two classes be unknown. Assume t.hat a t.raining set composed of independent observations from the t.wo classes is given, where part. of the samples are classified and part are not. The talk present.ed new rt~sults which investigate the relative value of the labeled and unlabeled samples in reducing the probability of error of the classifier. In particular, it was shown that. uuder the above hypotheses t.he relative value of labeled and unlabeled samples is proportional t.o the (Fisher) Informat.ion they carry about, the unknown mixing parameter. B. Dasgupta ([email protected]), on the othE'r hand, addressed tlw issue of the trad.ability of the t.raining problem of neural net.works. New rp.sults showing tha.t. the training problem remains NP-complete when the act.iva.t.ion functions are piecewise linear were presented. The talk by B. Hassibi ([email protected]/oni.uill.) provided a minimax interpretation of instant.aneous-gradient-based learning algorit.hms such as LMS and backpropagation. When t.he underlying model is linear, it was shown t.hat the LMS algorithm minimizes the worst C3.<;e ratio of pl'f~ clicted error energy to disturbance energy. When the model is nonlinear, which arises in t.hE' contp.xt. of neural net.works, it was shown that t.he backpropagation algorithm performs this minimizat.ion in a local sense. These results provide theoretical justificat.ioll for the widely observed excellent robustness properties of the LMS and backpropagatioll algorithms. The last. t.alk by R. Caruana ([email protected]'.CMU.EDU) presented a set. of int.eresting empirical results on the learning properties of neural networks of different sizes. Some of the issues (based on empirical evidence) raised during the talk are: 1) If cross-validation is used to prevent overt.raining, excess capacity rarely reduces the generalization performance of fully connected feed-forward backpropagation net.works. 2) Moreover, too little capacity usn ally hurt.s generalization performance more than too much capacit.y. References [1] K.-Y . Siu, V. P. Roychowdhnry, and T. Kailath. Di.H:r'fi(; Nfllml Computation: A Theordical Foundation. Englewood Cliffs, N.1: Prent.ice-H all , 1994. [2] V. P. Roychowdhury, K.-Y. Siu, and A. Orlitsky, edit.ors. ThwT'(;tical Advances in N(;uT'ai Compltiation and LUlT'Tl.ing. Bost.on: Kluwer Academic Publishers, 1994.
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Developing Population Codes By Minimizing Description Length Richard S. Zemel CNL, The Salk Institute 10010 North Torrey Pines Rd. La J oUa, CA 92037 Geoffrey E. Hinton Department of Computer Science University of Toronto Toronto M5S 1A4 Canada Abstract The Minimum Description Length principle (MDL) can be used to train the hidden units of a neural network to extract a representation that is cheap to describe but nonetheless allows the input to be reconstructed accurately. We show how MDL can be used to develop highly redundant population codes. Each hidden unit has a location in a low-dimensional implicit space. If the hidden unit activities form a bump of a standard shape in this space, they can be cheaply encoded by the center ofthis bump. So the weights from the input units to the hidden units in an autoencoder are trained to make the activities form a standard bump. The coordinates of the hidden units in the implicit space are also learned, thus allowing flexibility, as the network develops a discontinuous topography when presented with different input classes. Population-coding in a space other than the input enables a network to extract nonlinear higher-order properties of the inputs. Most existing unsupervised learning algorithms can be understood using the Minimum Description Length (MDL) principle (Rissanen, 1989). Given an ensemble of input vectors, the aim of the learning algorithm is to find a method of coding each input vector that minimizes the total cost, in bits, of communicating the input vectors to a receiver. There are three terms in the total description length: ? The code-cost is the number of bits required to communicate the code that the algorithm assigns to each input vector. 11 12 Zemel and Hinton ? The model-cost is the number of bits required to specify how to reconstruct input vectors from codes (e.g., the hidden-to-output weights) . ? The reconstruction-error is the number of bits required to fix up any errors that occur when the input vector is reconstructed from its code. Formulating the problem in terms of a communication model allows us to derive an objective function for a network (note that we are not actually sending the bits). For example, in competitive learning (vector quantization), the code is the identity of the winning hidden unit, so by limiting the system to 1i units we limit the average code-cost to at most log21i bits. The reconstruction-error is proportional to the squared difference between the input vector and the weight-vector of the winner, and this is what competitive learning algorithms minimize. The model-cost is usually ignored. The representations produced by vector quantization contain very little information about the in put (at most log21i bits). To get richer representations we must allow many hidden units to be active at once and to have varying activity levels. Principal components analysis (PCA) achieves this for linear mappings from inputs to codes. It can be viewed as a version of MDL in which we limit the code-cost by only having a few hidden units, and ignoring the model-cost and the accuracy with which the hidden activities must be coded. An autoencoder (see Figure 2) that tries to reconstruct the input vector on its output units will perform a version of PCA if the output units are linear. We can obtain novel and interesting unsupervised learning algorithms using this MDL approach by considering various alternative methods of communicating the hidden activities. The algorithms can all be implemented by backpropagating the derivative of the code-cost for the hidden units in addition to the derivative of the reconstruction-error backpropagated from the output units. Any method that communicates each hidden activity separately and independently will tend to lead to factorial codes because any mutual information between hidden units will cause redundancy in the communicated message, so the pressure to keep the message short will squeeze out the redundancy. In (Zemel, 1993) and (Hinton and Zemel, 1994), we present algorithms derived from this MDL approach aimed at developing factorial codes. Although factorial codes are interesting, they are not robust against hardware failure nor do they resemble the population codes found in some parts of the brain. Our aim in this paper is to show how the MDL approach can be used to develop population codes in which the activities of hidden units are highly correlated. For a more complete discussion of the details of this algorithm, see (Zemel, 1993). Unsupervised algorithms contain an implicit assumption about the nature of the structure or constraints underlying the input set. For example, competitive learning algorithms are suited to datasets in which each input can be attributed to one of a set of possible causes. In the algorithm we present here, we assume that each input can be described as a point in a low-dimensional continuous constraint space. For instance, a complex shape may require a detailed representation, but a set of images of that shape from multiple viewpoints can be concisely represented by first describing the shape, and then encoding each instance as a point in the constraint space spanned by the viewing parameters. Our goal is to find and represent the constraint space underlying high-dimensional data samples. Developing Population Codes by Minimizing Description Length size ? ? ? ? ? ? ? ? ?x. ? ? ?? ? ? ? ? ? ? ? ? ? orientation Figure 1: The population code for an instance in a two-dimensional implicit space. The position of each blob corresponds to the position of a unit within the population, and the blob size corresponds to the unit's activity. Here one dimension describes the size and the other the orientation of a shape. We can determine the instantiation parameters of this particular shape by computing the center of gravity of the blob activities, marked here by an "X". 1 POPULATION CODES In order to represent inputs as points drawn from a constraint space, we choose a population code style of representation. In a population code, each code unit is associated with a position in what we call the implicit space, and the code units' pattern of activity conveys a single point in this space. This implicit space should correspond to the constraint space. For example, suppose that each code unit is assigned a position in a two-dimensional implicit space, where one dimension corresponds to the size of the shape and the second to its orientation in the image (see Figure 1). A population of code units broadly-tuned to different positions can represent any particular instance of the shape by their relative activity levels. This example illustrates that population codes involve three quite different spaces: the input-vector space (the pixel intensities in the example); the hidden-vector space (where each hidden, or code unit entails an additional dimension); and this third, low-dimensional space which we term the implicit space. In a learning algorithm for population codes, this implicit space is intended to come to smoothly represent the underlying dimensions of variability in the inputs, i.e., the constraint space. For instance, the Kohonen (1982) algorithm defines the implicit space topology through fixed neighborhood relations, and the algorithm then manipulates hiddenvector space so that neighbors in implicit space respond to similar inputs. This form of coding has several computational advantages, in addition to its significance due to its prevalence in biological systems. Population codes contain some redundancy and hence have some degree of fault-tolerance, and they reflect underlying structure of the input, in that similar inputs are mapped to nearby implicit positions. They also possess a hyperacuity property, as the number of implicit positions that can be represented far exceeds the number of code units. 13 14 Zemel and Hinton 2 LEARNING POPULATION CODES WITH MDL Autoencoders are a general way of addressing issues of coding, in which the hidden unit activities for an input are the codes for that input which are produced by the input-hidden weights, and in which reconstruction from the code is done by the hidden-output mapping. In order to allow an autoencoder to develop population codes for an input set, we need some additional structure in the hidden layer that will allow a code vector to be interpreted as a point in implicit space. While most topographic-map formation algorithms (e.g., the Kohonen and elastic net (Durbin and Willshaw, 1987) algorithms) define the topology of this implicit space by fixed neighborhood relations, in our algorithm we use a more explicit representation. Each hidden unit has weights coming from the input units that determine its activity level. But in addition to these weights, it has another set of adjustable parameters that represent its coordinates in the implicit space. To determine what implicit position is represented by a vector of hidden activities, we can average together the implicit coordinates of the hidden units, weighting each coordinate vector by the activity level of the unit. Suppose, for example, that each hidden unit is connected to an 8x8 retina and has 2 implicit coordinates that represent the size and orientation of a particular kind of shape on the retina, as in our earlier example. If we plot the hidden activity levels in the implicit space (not the input space), we would like to see a bump of activity of a standard shape (e.g., a Gaussian) whose center represents the instantiation parameters of the shape (Figure 2 depicts this for a 1D implicit space). If the activities form a perfect Gaussian bump of fixed variance we can communicate them by simply communicating the coordinates of the mean of the Gaussian; this is very economical if there are many less implicit coordinates than hidden units. It is important to realize that the activity of a hidden unit is actually caused by the input-to-hidden weights, but by setting these weights appropriately we can make the activity match the height under the Gaussian in implicit space. If the activity bump is not quite perfect, we must also encode the bump-error-the misfit between the actual activity levels and the levels predicted by the Gaussian bump. The cost of encoding this misfit is what forces the activity bump in implicit space to approximate a Gaussian. The reconstruction-error is then the deviation of the output from the input. This reconstruction ignores implicit space; the output activities only depend on the vector of hidden activities and weights. 2.1 The objective function Currently, we ignore the model-cost, so the description length to be minimized is: Et Bt + Rt N 1? I)bj j=l bj)2 /2VB + L(a~ - c~)2 /2VR (1) k=l where a, b, c are the activities of units in the input, hidden, and output layers, respectively, VB and VR are the fixed variances of the Gaussians used for coding the Developing Population Codes by Minimizing Description Length NETWOHI< IMPLICIT SPACE (1/ = 1) Output Activity (b) (1...N) II} ,;/J beRt-fit ... IIidden (l...H) Inpllt. ~ Gaussian - ------~ I; 0 () ... () 0 (l...N) .l Xl JJ x\ X(j - i7 X2 Xi I: I: I: I: I' Ii X8 X7 Posit ion (x) .' X~ Figure 2: Each of the 1t hidden units in the autoencoder has an associated position of each hidden in implicit space. Here we show a ID implicit space. The activity unit j on case t is shown by a solid line. The network fits the best Gaussian to this pattern of activity in implicit space. The predicted activity, h;, of unit j under this h; Gaussian is based on the distance from Xj to the mean j..lt; it serves as a target for hj. bump-errors and the reconstruction-errors, and the other symbols are explained in the caption of Figure 2. h;, We compute the actual activity of a hidden unit, as a normalized exponential 1 of its total input. Note that a unit's actual activity is independent of its position in implicit space. Its expected activity is its normalized value under the predicted Gaussian bump: 1{. hj = exp( -(Xj - j..lt)2 /2(7'2)/ L exp( -(xi - j..lt)2/2(7'2) (2) i=l where (7' is the width of the bump, which we assume for now is fixed throughout training. We have explored several methods for computing the mean of this bump. Simply computing the center of gravity of the representation units' positions, weighted by their activity, produces a bias towards points in the center of implicit space. Instead, on each case, a separate minimization determines j..lt; it is the position in implicit space that minimizes Bt given {Xj' hj} . The network has full inter-layer connectivity, and linear output units. Both the network weights and the implicit coordinates of the hidden units are adapted to minimize E. 1b~ = exp(net~)/ 2::::1 exp(net~), where net~ is the net input into unit j on case t. 15 16 Zemel and Hinton Unit 18 - Epoch 0 Unit 18 - Epoch 23 0. 08 0.2 0. 06 0.15 ActivityO.04 Activity 0. 1 0.05 Yposition x posi tion 10 y position Xposition 10 Figure 3: This figure shows the receptive field in implicit space for a hidden unit. The left panel shows that before learning, the unit responds randomly to 100 different test patterns, generated by positioning a shape in the image at each point in a 10xlO grid. Here the 2 dimensions in implicit space correspond to x and y positions. The right panel shows that after learning, the hidden unit responds to objects in a particular position, and its activity level falls off smoothly as the object position moves away from the center of the learned receptive field. 3 EXPERIMENTAL RESULTS In the first experiment, each 8x8 real-valued input image contained an instance of a simple shape in a random (x, y)-position. The network began with random weights, and each of 100 hidden units in a random 2D implicit position; we trained it using conjugate gradient on 400 examples. The network converged after 25 epochs. Each hidden unit developed a receptive field so that it responded to inputs in a limited neighborhood that corresponded to its learned position in implicit space (see Figure 3). The set of hidden units covered the range of possible positions. In a second experiment, we also varied the orientation of the shape and we gave each hidden unit three implicit coordinates. The network converged after 60 epochs of training on 1000 images. The hidden unit activities formed a population code that allowed the input to be accurately reconstructed. A third experiment employed a training set where each image contained either a horizontal or vertical bar, in some random position. The hidden units formed an interesting 2D implicit space in this case: one set of hidden units moved to one corner of the space, and represented instances of one shape, while the other group moved to an opposite corner and represented the other (Figure 4). The network was thus able to squeeze a third dimension (i.e., which shape) into the 2D implicit space. This type of representation would be difficult to learn in a Kohonen network; the fact that the hidden units learn their implicit coordinates allows more flexibility than a system in which these coordinates are fixed in advance. Developing Population Codes by Minimizing Description Length Implicit Spare (Epoch 0) Y 6.s0 --- -----,-- , -- - - - , - - -T - ----,-- x 6.00 4.50 4.00 3.50 3.00 2.50 t- .,P x ? * '" [] x . 0 ~ t 0 0 x )f,.o _L I) - 1- x 1.00 x X ~ ? II. 0 ,8 CI Ii' c n ? x ? r8 J< x fiX y x 'xic ~ X x' '\, xn x Xx ? ~ L _ L. L L 3.00 4.00 5.00 ~ 3.50 x ?"1, IJ _L6.00 )( x 3.00 x 2.50 x "x x ~ I~O n x 2.00 I )( 2.00 ? X ~ X x x x x ?? jroX"x ? ?c ?, u 'b ? n 0.00 ".J,' ? ?oX ? ???? lff~~ x III Xposn ?mean.V x )( ?mean.H 0 0 ~c 4.00 . x ., ? x ? f,~ o ???? If o~.~n ? 0050 x ? o )(o~ x D~ o l,~oWt ? 0'01 rmx 'bl:r$J 0,(' qfJb o ?X0'b ? "x o~ x x 4.50 n x XX 5.00 " x x n- ? f '6 x c. )1(0 x xX nil X x '''xc ? 5.50 xcIX cP ,(' x x ~. -IV ? x "x x )( ? r~}o o - --,--r--r-----.-~-?--, 6.00 0 0 Da? o x ~ x UiO 0.00 0 x x 6~ -- 1 - - 0>< x )( 2.00 1.00 x x )( 5.50 !i.00 Implicit Spare (Epoch 120) x x x )( xBij x /1 x 0 x x * )( ,,>!- " )( x )( x " x ~~ .~x ~~~ r;/~o<J1' I xx )( x )( ? ~.'oxx x .~,,,P X x" x )(Jf. x x x x x _ L _ _ __ _ L. _L .. L _L _J 1.00 5.00 6.00 -t 1.00 0.50 L_ 0.00 2.00 3.00 4.00 x X Figure 4: This figure shows the positions of the hidden units and the means in the 2D implicit space before and after training on the horizontal/vertical task. The means in the top right of the second plot all correspond to images containing vertical bars, while the other set correspond to horizontal bar images. Note that some hidden units are far from all the means; these units do not playa role in the coding of the input, and are free to be recruited for other types of input cases. 4 RELATED WORK This new algorithm bears some similarities to several earlier algorithms. In the experiments presented above, each hidden unit learns to act as a Radial Basis Function (RBF) unit. Unlike standard RBFs, however, here the RBF activity serves as a target for the activity levels, and is determined by distance in a space other than the input space. Our algorithm is more similar to topographic map formation algorithms, such as the Kohonen and elastic-net algorithms. In these methods, however, the populationcode is in effect formed in input space. Population coding in a space other than the input enables our networks to extract nonlinear higher-order properties of the inputs. In (Saund, 1989), hidden unit patterns of activity in an autoencoder are trained to form Gaussian bumps, where the center of the bump is intended to correspond to the position in an underlying dimension of the inputs. In addition to the objective functions being quite different in the two algorithms, another crucial difference exists: in his algorithm, as well as the other earlier algorithms, the implicit space topology is statically determined by the ordering of the hidden units, while units in our model learn their implicit coordinates. 17 18 Zemel and Hinton 5 CONCLUSIONS AND CURRENT DIRECTIONS We have shown how MDL can be used to develop non-factorial, redundant representations. The objective function is derived from a communication model where rather than communicating each hidden unit activity independently, we instead communicate the location of a Gaussian bump in a low-dimensional implicit space. If hidden units are appropriately tuned in this space their activities can then be inferred from the bump location. Our method can easily be applied to networks with multiple hidden layers , where the implicit space is constructed at the last hidden layer before the output and derivatives are then backpropagated; this allows the implicit space to correspond to arbitrarily high-order input properties. Alternatively, instead of using multiple hidden layers to extract a single code for the input, one could use a hierarchical system in which the code-cost is computed at every layer. A limitation of this approach (as well as the aforementioned approaches) is the need to predefine the dimensionality of implicit space. We are currently working on an extension that will allow the learning algorithm to determine for itself the appropriate number of dimensions in implicit space. We start with many dimensions but include the cost of specifying j-tt in the description length. This obviously depends on how many implicit coordinates are used. If all of the hidden units have the same value for one of the implicit coordinates, it costs nothing to communicate that value for each bump. In general, the cost of an implicit coordinate depends on the ratio between its variance (over all the different bumps) and the accuracy with which it must be communicated. So the network can save bits by reducing the variance for unneeded coordinates. This creates a smooth search space for determining how many implicit coordinates are needed. Acknowledgements This research was supported by grants from NSERC , the Ontario Information Technology Research Center, and the Institute for Robotics and Intelligent Systems. Geoffrey Hinton is the Noranda Fellow of the Canadian Institute for Advanced Research. We thank Peter Dayan for helpful discussions. References Durbin, R. and Willshaw, D. (1987). An analogue approach to the travelling salesman problem. Nature, 326:689-691. Hinton, G. and Zemel, R. (1994). Autoencoders, minimum description length, and Helmholtz free energy. To appear in Cowan, J.D., Tesauro, G., and Alspector, J. (eds.), Advances in Neural Information Processing Systems 6. San Francisco, CA: Morgan Kaufmann. Kohonen, T. (1982). Self-organized formation of topologically correct feature maps. Biological Cybernetics, 43:59-69. Rissanen, J. (1989). Stochastic Complexity in StatisticalInquiry. World Scientific Publishing Co., Singapore. Saund, E. (1989). Dimensionality-reduction using connectionist networks. IEEE Transactions on Pattern Analysis and Machine Intelligence, 11(3):304-314. Zemel, R. (1993). A Minimum Description Length Framework for Unsupervised Learning. Ph.D. Thesis, Department of Computer Science, University of Toronto.
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A Unified Gradient-Descent/Clustering Architecture for Finite State Machine Induction Sreerupa Das and Michael C. Mozer Department of Computer Science University of Colorado Boulder, CO 80309-0430 Abstract Although recurrent neural nets have been moderately successful in learning to emulate finite-state machines (FSMs), the continuous internal state dynamics of a neural net are not well matched to the discrete behavior of an FSM. We describe an architecture, called DOLCE, that allows discrete states to evolve in a net as learning progresses. DOLCE consists of a standard recurrent neural net trained by gradient descent and an adaptive clustering technique that quantizes the state space. DOLCE is based on the assumption that a finite set of discrete internal states is required for the task, and that the actual network state belongs to this set but has been corrupted by noise due to inaccuracy in the weights. DOLCE learns to recover the discrete state with maximum a posteriori probability from the noisy state. Simulations show that DOLCE leads to a significant improvement in generalization performance over earlier neural net approaches to FSM induction. 1 INTRODUCTION Researchers often try to understand-post hoc-representations that emerge in the hidden layers of a neural net following training. Interpretation is difficult because these representations are typically highly distributed and continuous. By "continuous," we mean that if one constructed a scatterplot over the hidden unit activity space of patterns obtained in response to various inputs, examination at any scale would reveal the patterns to be broadly distributed over the space. Continuous representations aren't always appropriate. Many task domains seem to require discrete representations-representations selected from a finite set of alternatives. If a neural net learned a discrete representation, the scatterplot over hidden activity space would show points to be superimposed at fine scales of analysis. Some 19 20 Das and Mozer examples of domains in which discrete representations might be desirable include: finite-state machine emulation, data compression, language and higher cognition (involving discrete symbol processing), and categorization in the context of decision making. In such domains, standard neural net learning procedures, which have a propensity to produce continuous representations, may not be appropriate. The work we report here involves designing an inductive bias into the learning procedure in order to encourage the formation of discrete internal representations. In the recent years, various approaches have been explored for learning discrete representations using neural networks (McMillan, Mozer, & Smolensky, 1992; Mozer & Bachrach, 1990; Mozer & Das, 1993; Schiitze, 1993; Towell & Shavlik, 1992). However, these approaches are domain specific, making strong assumptions about the nature of the task. In our work, we describe a general methodology that makes no assumption about the domain to which it is applied, beyond the fact that discrete representations are desireable. 2 FINITE STATE MACHINE INDUCTION We illustrate the methodology using the domain of finite-state machine (FSM) induction. An FSM defines a class of symbol strings. For example, the class (lOt consists of all strings with one or more repetitions of 10; 101010 is a positive example of the class, 111 is a negative example. An FSM consists principally of a finite set of states and a function that maps the current state and the current symbol of the string into a new state. Certain states of the FSM are designated "accept" states, meaning that if the FSM ends up in these states, the string is a member of the class. The induction problem is to infer an FSM that parsimoniously characterizes the positive and negative exemplars, and hence characterizes the underlying class. A generic recurrent net architecture that could be used for FSM emulation and induction is shown on the left side of Figure 1. A string is presented to the input layer of the net, one symbol at a time. Following the end of the string, the net should output whether or not the string is a member of the class. The hidden unit activity pattern at any point during presentation of a string corresponds to the internal state of an FSM. Such a net, trained by a gradient descent procedure, is able to learn to perform this or related tasks (Elman, 1990; Giles et al., 1992; Pollack, 1991; Servan-Schreiber, Cleeremans, & McClelland, 1991; Watrous & Kuhn, 1992). Although these models have been relatively successful in learning to emulate FSMs, the continuous internal state dynamics of a neural net are not well matched to the discrete behavior of FSMs. Roughly, regions of hidden unit activity space can be identified with states in an FSM, but because the activities are continuous, one often observes the network drifting from one state to another. This occurs especially with input strings longer than those on which the network was trained. To achieve more robust dynamics, one might consider quantizing the hidden state. Two approaches to quantization have been explored previously. In the first, a net is trained in the manner described above. After training, the hidden state space is partitioned into disjoint regions and each hidden activity pattern is then discretized by mapping it to the center of its corresponding region (Das & Das, 1991; Giles A Unified Gradient-Descent/Clustering Architecture for Finite State Machine Induction Figure 1: On the left is a generic recurrent architecture that could be used for FSM induction. Each box corresponds to a layer of units, and arrows depict complete connectivity between layers. At each time step, a new symbol is presented on the input and the input and hidden representations are integrated to form a new hidden representation. On the right is the general architecture of DOLCE. et al., 1992). In a second approach, quantization is enforced during training by mapping the the hidden state at each time step to the nearest corner of a [0,1]" hypercube (Zeng, Goodman, & Smyth, 1993). Each of these approaches has its limitations. In the first approach, because learning does not consider the latter quantization, the hidden activity patterns that result from learning may not lie in natural clusters. Consequently, the quantization step may not group together activity patterns that correspond to the same state. In the second approach, the quantization process causes the error surface to have discontinuities and to be flat in local neighborhoods of the weight space. Hence, gradient descent learning algorithms cannot be used; instead, even more heuristic approaches are required. To overcome the limitations of these approaches, we have pursued an approach in which quantization is an integral part of the learning process. 3 DOLCE Our approach incorporates a clustering module into the recurrent net architecture, as shown on the right side of Figure 1. The hidden layer activities are processed by the clustering module before being passed on to other layers. The clustering module maps regions in hidden state space to a single point in the same space, effectively partitioning or clustering the hidden state space. Each cluster corresponds to a discrete internal state. The clusters are adaptive and dynamic, changing over the course of learning. We call this architecture DOLCE, for gynamic Qn-!ine ?lustering and state extraction. The DOLCE architecture may be explored along two dimensions: (1) the clustering algorithm used (e.g., a Gaussian mixture model, ISODATA, the Forgy algorithm, vector quantization schemes), and (2) whether supervised or unsupervised training is used to identify the clusters. In unsupervised mode, the performance error on the FSM induction task has no effect on the operation of the clustering algorithm; instead, an internal criterion characterizes goodness of clusters. In supervised mode, the primary measure that affects the goodness of a cluster is the performance error. Regardless of the training mode, all clustering algorithms incorporate a pressure to 21 22 Das and Mozer o Figure 2: Two dimensions of a typical state space. The true states needed to perform the task are Cl, C3, and C3, while the observed hidden states, asswned to be corrupted by noise, are distributed about the Ci. produce a small number of clusters. Additionally, as we elaborate more specifically below, the algorithms must allow for a soft or continuous clustering during training, in order to be integrated into a gradient-based learning procedure. We have explored two possibilities for the clustering module. The first involves the use of Forgy's algorithm in an unsupervised mode. Forgy's (1965) algorithm determines both the number of clusters and the partitioning of the space. The second uses a Gaussian mixture model in a supervised mode, where the mixture model parameters are adjusted so as to minimize the performance error. Both approaches were successful, but as the latter approach obtained better results, we describe it in the next section. 4 CLUSTERING USING A MIXTURE MODEL Here we motivate the incorporation of a Gaussian mixture model into DOLCE, using an argument that gives the approach a solid theoretical foundation. Several assumptions underly the approach. First, we assume that the task faced by DOLCE is such that it requires a finite set of internal or true states, C = {Clt C2, ??. , CT}. This is simply the premise that motivates this line of work. Second, we assume that any observed hidden state-i.e., a hidden activity pattern that results from presentation of a symbol sequence-belongs to C but has been corrupted by noise due to inaccuracy in the network weights. Third, we assume that this noise is Gaussian and decreases as learning progresses (i.e., as the weights are adjusted to better perform the task). These assumptions are depicted in Figure 2. Based on these assumptions, we construct a Gaussian mixture distribution that models the observed hidden states: T p( hlC tT " q) = ~ qi e-lh-c.12 /2q~ L...J (27r0'~)H/2 i=l ? where h denotes an observed hidden state, 0'; the variance of the noise that corrupts state Ci, qi is the prior probability that the true state is Ci, and H is the dimensionality of the hidden state space. For pedagogical purposes, a.ssume for the time being that the parameters of the mixture distribution-T, C, tT, and q-are all known; in a later section we discuss how these parameters are determined. A Unified Gradient-Descent/Clustering Architecture for Finite State Machine Induction h o o 0 000 OOOO!,~OO 0 0 ~ 7 ~O 00 0 A 0 before training after successful training Figure 3: A schematic depiction of the hidden state space before and after training. The horizontal plane represents the state space. The bumps indicate the probability density under the mixture model. Observed hidden states are represented by small open circles. Given a noisy observed hidden state, h, DOLCE computes the maximum a posteriori (MAP) estimator of h in C. This estimator then replaces the noisy state and is used in all subsequent computation. The MAP estimator, h, is computed as follows. The probability of an observed state h being generated by a given true state i is p(hltrue state i) = (27rlTi)-!fe-lh-cill/2u:. Using Bayes' rule, one can compute the posterior probability of true state i, given that h has been observed: .Ih) p ( true state z = p(hltrue state i)qi L:j p(hltrue state j)qj =---'---'-------'---- Finally, the MAP estimator is given by it = Cargmax,p(true state ilh). However, because learning requires that DOLCE's dynamics be differentiable, we use a soft L:i cip(true state ilh) instead of hand version of MAP which involves using ii incorporating a "temperature" parameter into lTi as described below. = An important parameter in the mixture model is T, the number of true states (Gaussians bumps). Because T directly corresponds to the number of states in the target FSM, if T is chosen too small, DOLCE could not emulate the FSM. Consequently, we set T to a large value, and the training procedure includes a technique for eliminating unnecessary true states. (If the initially selected T is not large enough, the training procedure will not converge to zero error on the training set, and the procedure can be restarted with a larger value of T.) At the start of training, each Gaussian center I Ci, is initialized to a random location in the hidden state space. The standard deviations of each Gaussian, lTi, are initially set to a large value. The priors, qi, are set to liT. The weights are set to initial values chosen from the uniform distribution in [-.25,.25]. All connection weights feeding into the hidden layer are second order. The network weights and mixture model parameters-C, iT, and q-are adjusted by gradient descent in a cost measure, C. This cost includes two components: (a) the performance error, ?, which is a squared difference between the actual and target network output following presentation of a training string, and (b) a complexity 23 24 Das and Mozer c: o 800,------~...., II 2000,--------, language language 0600 i language S 200 400 E 100 '0 2 NO ROLO OF DG NO ROLO OF DG o NO RO LO OF DG language language 6 400 200 OL.......l.:.O=~ NO ROLO OF 00 Figure 4: Each graph depicts generalization performance on one of the Tomita languages for 5 alternative neural net approaches: no clustering [Ne), rigid quantization [RQ), learn then quantize [LQ], DOLCE in unsupervised mode using Forgy's algorithm [DF], DOLCE in supervised mode using mixture model [DG) . The vertical axis shows the number of misclassification of 3000 test strings. Each bar is the average result across 10 replications with different initial weights. cost, which is the entropy of the prior distribution, q: where ..\ is a regularization parameter. The complexity cost is minimal when only one Gaussian has a nonzero prior, and maximal when all priors are equal. Hence, the cost encourages unnecessary Gaussians to drop out of the mixture model. The particular gradient descent procedure used is a generalization of back propagation through time (Rumelhart, Hinton, & Williams, 1986) that incorporates the mixture model. To better condition the search space and to avoid a constrained search, optimization is performed not over iT and q directly but rather over hyperparameters a and h, where = exp(ai)/,B and qi = exp( -bl)/E j exp( -bj). u; The global parameter ,B scales the overall spread of the Gaussians, which corresponds to the level of noise in the model. As performance on the training set improves, we assume that the network weights are coming to better approximate the target weights, hence that the level of noise is decreasing. Thus, we tie ,B to the performance error e. We have used various annealing schedules and DOLCE appears robust to this variation; we currently use {3 ex 1/ e. Note that as ? --+ 0, {3 --+ 00 and the probability density under one Gaussian at h will become infinitely greater than the density under any other; consequently, the soft MAP estimator, h, becomes equivalent to the MAP estimator h, and the transformed hidden state becomes discrete. A schematic depiction of the probability landscape both before and after training is depicted in Figure 3. A Unified Gradient-Descent/Clustering Architecture for Finite State Machine Induction 5 SIMULATION STUDIES The network was trained on a set ofregular languages first studied by Tomita (1982). The languages, which utilize only the symbols 0 and 1, are: (1) 1?; (2) (10)?; (3) no odd number of consecutive 1 's is directly followed by an odd number of consecutive O's; (4) any string not containing the substring "000"; (5) , [(01110)(01110)].; (6) the difference between the number of ones and number of zeros in the string is a multiple of three; and (7) 0?1? 0?1? . A fixed training corpus of strings was generated for each language, with an equal number of positive and negative examples. The maximum string length varied from 5 to 10 symbols and the total number of examples varied from 50 to 150, depending on the difficulty of the induction task. Each string was presented one symbol at a time, after which DOLCE was given a target output that specified whether the string was a positive or negative example of the language. Training continued until DOLCE converged on a set of weights and mixture model parameters. Because we assume that the training examples are correctly classified, the error ? on the training set should go to zero when DOLCE has learned. If this did not happen on a given training run, we restarted the simulation with different initial random weights. For each language, ten replications of DOLCE (with the supervised mixture model) were trained, each with different random initial weights. The learning rate and regularization parameter .\ were chosen for each language by quick experimentation with the aim of maximizing the likelihood of convergence on the training set. We also trained a version of DOLCE that clustered using the unsupervised Forgy algorithm, as well as several alternative neural net approaches: a generic recurrent net, as shown on the left side of Figure 1, which used no clustering [NC]; a version with rigid quantization during training [RQ], comparable to the earlier work of Zeng, Goodman, and Smyth (1993); and a version in which the unsupervised Forgyalgorithm was used to quantize the hidden state following training [LQ], comparable to the earlier work of Das and Das (1991). In these alternative approaches, we used the same architecture as DOLCE except for the clustering procedure. We selected learning parameters to optimize performance on the training set, ran ten replications for each language, replaced runs which did not converge, and used the same training sets. 6 RESULTS AND CONCLUSION In Figure 4, we compare the generalization performance of DOLCE-both the unsupervised Forgy [DF] and supervised mixture model [DG]-to the NC, RQ, and LQ approaches. Generalization performance was tested using 3000 strings not in the training set, half positive examples and half negative. The two versions of DOLCE outperformed the alternative neural net approaches, and the DG version of DOLCE consistently outperformed the DF version. To summarize, we have described an approach that incorporates inductive bias into a learning algorithm in order to encourage the evolution of discrete representations during training. This approach is a quite general and can be applied to domains 25 26 Das and Mozer other than grammaticality judgement where discrete representations might be desirable. Also, this approach is not specific to recurrent networks and may be applied to feedforward networks. We are now in the process of applying DOLCE to a much larger, real-world problem that involves predicting the next symbol in a string. The data base comes from a case study in software engineering, where each symbol represents an operation in the software development process. This data is quite noisy and it is unlikely that the data can be parsimoniously described by an FSM. Nonetheless, our initial results are encouraging: DOLCE produces predictions at least three times more accurate than a standard recurrent net without clustering. Acknowledgements This research was supported by NSF Presidential Young Investigator award IRI9058450 and grant 90-21 from the James S. McDonnell Foundation. References S. Das & R. Das. (1991) Induction of discrete state-machine by stabilizing a continuous recurrent network using clustering. Computer Science and Informatics 21(2):35-40. Special Issue on Neural Computing. J.L. Elman. (1990) Finding structure in time. Cognitive Science 14:179-212. E. Forgy. (1965) Cluster analysis of multivariate data: efficiency versus interpretability of classifications. Biometrics 21:768-780. M.C. Mozer & J.D Bachrach. (1990) Discovering the structure of a reactive environment by exploration. Neural Computation 2( 4):447-457. C. McMillan, M.C. Mozer, & P. Smolensky. (1992) Rule induction through integrated symbolic and subsymbolic processing. In J.E. Moody, S.J. Hanson, & R.P. Lippmann (eds.), Advances in Neural Information Proceuing Sy6tems 4, 969-976. San Mateo, CA: Morgan Kaufmann. C.L. Giles, D. Chen, C.B. Miller, H.H. Chen, G.Z. Sun, & Y.C. Lee. (1992) Learning and extracting finite state automata with second-order recurrent neural network. Neural Computation 4(3):393-405. H. Schiitze. (1993) Word space. In S.J. Hanson, J.D. Cowan, & C.L. Giles (eds.), Advances in Neural Information Proceuing Systems 5, 895-902. San Mateo, CA: Morgan Kaufmann. M. Tomita. (1982) Dynamic construction of finite-state automata from examples using hillclimbing. Proceedings of the Fourth Annual Conference of the Cognitive Science Society, 105-108. G. Towell & J. Shavlik. (1992) Interpretion of artificial neural networks: mapping knowledge-based neural networks into rules. In J .E. Moody, S.J. Hanson, & R.P. Lippmann (eds.), Advances in Neural Information Proceuing Systems 4, 977-984. San Mateo, CA: Morgan Kaufmann. R.L. Watrous & G.M. Kuhn. (1992) Induction of finite state languages using second-order recurrent networks. In J.E. Moody, S.J. Hanson, & R.P. Lippmann (eds.), Advances in Neural Information Proceuing Systems 4, 969-976. San Mateo, CA: Morgan Kaufmann. Z. Zeng, R. Goodman, & P. Smyth. (1993) Learning finite state machines with selfclustering recurrent networks. 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Transition Point Dynamic Programming Kenneth M. Buckland'" Dept. of Electrical Engineering University of British Columbia Vancouver, B.C, Canada V6T 1Z4 [email protected] Peter D. Lawrence Dept. of Electrical Engineering University of British Columbia Vancouver, B.C, Canada V6T 1Z4 [email protected] Abstract Transition point dynamic programming (TPDP) is a memorybased, reinforcement learning, direct dynamic programming approach to adaptive optimal control that can reduce the learning time and memory usage required for the control of continuous stochastic dynamic systems. TPDP does so by determining an ideal set of transition points (TPs) which specify only the control action changes necessary for optimal control. TPDP converges to an ideal TP set by using a variation of Q-Iearning to assess the merits of adding, swapping and removing TPs from states throughout the state space. When applied to a race track problem, TPDP learned the optimal control policy much sooner than conventional Q-Iearning, and was able to do so using less memory. 1 INTRODUCTION Dynamic programming (DP) approaches can be utilized to determine optimal control policies for continuous stochastic dynamic systems when the state spaces of those systems have been quantized with a resolution suitable for control (Barto et al., 1991). DP controllers, in lheir simplest form, are memory-based controllers that operate by repeatedly updating cost values associated with every state in the discretized state space (Barto et al., 1991). In a slate space of any size the required quantization can lead to an excessive memory requirement, and a related increase in learning time (Moore, 1991). This is the "curse of dimensionality". ?Nowat: PMC-Sierra Inc., 8501 Commerce Court, Burnaby, B.C., Canada V5A 4N3. 639 640 Buckland and Lawrence Q-Iearning (Watkins, 1989, Watkins et al., 1992) is a direct form of DP that avoids explicit system modeling - thereby reducing the memory required for DP control. Further reductions are possible if Q-Ieal'l1ing is modified so that its DP cost values (Q-values) are associated only with states where control action changes need to be specified. Transition point dynamic programming (TPDP), the control approach described in this paper, is designed to take advantage of this DP memory reduction possibility by determining the states where control action changes must be specified for optimal control, and what those optimal changes are. 2 2.1 GENERAL DESCRIPTION OF TPDP TAKING ADVANTAGE OF INERTIA TPDP is suited to the control of continuous stochastic dynamic systems that have inertia. In such systems "uniform regions" are likely to exist in the state space where all of the (discretized) states have the same optimal control action (or the same set of optimal actions l ). Considering one such uniform region, if the optimal action for that region is specified at the "boundary states" of the region and then maintained throughout the region until it is left and another uniform region is entered (where another set of boundary states specify the next action), none of the "dormant states" in the middle of the region need to specify any actions themselves. Thus dormant states do not have to be represented in memory. This is the basic premise of TPDP. The association of optimal actions with boundary states is done by "transition points" (TPs) at those states. Boundary states include all of the states that can be reached from outside a uniform region when that region is entered as a result of stochastic state transitions. The boundary states of anyone uniform region form a hyper-surface of variable thickness which mayor may not be closed. The TPs at boundary states must be represented in memory, but if they are small in number compared to the dormant states the memory savings can be significant. 2.2 ILLUSTRATING THE TPDP CONCEPT Figure 1 illustrates the TPDP concept when movement control of a "car" on a one dimensional track is desired. The car, with some initial positive velocity to the right, must pass Position A and return to the left. The TPs in Figure 1 (represented by boxes) are located at boundary states. The shaded regions indicate all of the states that the system can possibly move through given the actions specified at the boundary states and the stochastic response of the car. Shaded states without TPs are therefore dormant states. Uniform regiolls consist of adjacent boundary states where the same action is specified, as well as the shaded region through which that action is maintained before another boundary is encountered. Boundary states that do not seem to be on the main sta.te transition routes (the one identified in Figure 1 for example) ensure that any stochastic deviations from those routes are realigned. Unshaded states are "external states" the system does not reach. IThe simplifying assumption t.hat t.here is ouly oue optimal action in each uniform region will be made throughout this paper. TPDP operates the same regardless. Transition Point Dynamic Programming + 13 Each is a transition point (TP), ~ '0 00 Q) > niform Region Boundary State A Position Figure 1: Application of TPDP to a One Dimension Movement Control Task 2.3 MINIMAL TP OPTIMAL CONTROL The main benefit of the TPDP approach is that, where uniform regions exist, they can be represented by a relatively small number of DP elements (TPs) - depending on the shape of the boundaries and the size of the uniform regions they encompass. This reduction in memory usage results in an accompanying reduction in the learning time required to learn optimal control policies (Chapman et al., 1991). TPDP operates by learning optimal points of transition in the control action specification, where those points can be accurately located in highly resolved state spaces. To do this TPDP must determine which states are boundary states that should have TPs, and what actions those TPs should specify. In other words, TPDP must find the right TPs for the right states. When it has done so, "minimal TP optimal control" has been achieved. That is, optimal control with a minimal set of TPs. 3 3.1 ACHIEVING MINIMAL TP OPTIMAL CONTROL MODIFYING A SET OF TPs Given an arbitrary initial set of TPs, TPDP must modify that set so that it is transformed into a minimal TP optimal control set. Modifications can include the "addition" and "removal" of TPs throughout the state space, and the "swapping" of one TP for another (each specifying a different action) at the same state. These 641 642 Buckland and Lawrence modifications are performed one at a time in arbitl'ary order, and can continue indefinitely. TPDP operates so that each TP modification results in an incremental movement towards minimal TP optimal control (Buckland, 1994). 3.2 Q-LEARNING TPDP makes use of Q-Iearning (Watkins, 1989, Watkins et ai., 1992) to modify the TP set. Normally Q-Iearning is used to determine the optimal control policy J-t for a stochastic dynamic system subjected to immediate costs c(i, u) when action u is applied in each state i (Barto et ai., 1991). Q-learning makes use of "Q-values" Q( i, u), which indicate the expected total infini te-horizon discounted cost if action u is applied in state i, and actions defined by the existing policy J-t are applied in all future states. Q-values are learned by using the following updating equation: Qt+l(St, Ut) = (1 - Ctt)Qt(St, ud + at [c(St, ud + 'YVt(St+l)] (1) Where at is the update rate, l' is the discount factor, and St and Ut are respectively the state at time step t and the action taken at that time step (all other Q-values remain the same at time step t). The evaluation function value lit (i) is set to the lowest Q-value action of all those possible U(i) in each state i: Vt(i) = min Qt(i, u) (2) UEU(i) If Equations 1 and 2 are employed during exploratory movement of the system, it has been proven that convergence to optimal Q-values Q* (i, u) and optimal evaluation function values VI-'. (i) will result (given that the proper constraints are followed, Watkins, 1989, Watkins et ai., 1992, Jaakkola et ai., 1994). From these values the optimal action in each state can be determined (the action that fulfills Equation 2). 3.3 ASSESSING TPs WITH Q-LEARNING TPDP uses Q-Iearning to determiue how an existing set of TPs should be modified to achieve minimal TP optimal control. Q-values can be associated with TPs, and the Q-values of two TPs at the same "TP state", each specifying different actions, can be compared to determine which should be maintained at that state - that is, which has the lower Q-value. This is how TPs are swapped (Buckland, 1994). States which do not have TPs, "non-TP states", have no Q-values from which evaluation function values vt(i) can be determined (using Equation 2). As a result, to learn TP Q-values, Equation 1 must be modified to facilitate Q-value updating when the system makes d state transitions from one TP state through a number of non-TP states to another TP state: Qt+.( St, Ut) = (1 - a,jQt (5t, Ut) + "t [ (~'Yn c( St+n, Ut)) + 'Y.v,( St+.)] (3) = When d 1, Equation 3 takes the form of Equation 1. When d > 1, the intervening non-TP states are effectively ignored and treated as inherent parts of the stochastic dynamic behavior of the system (Buckla.nd, 1994). If Equation 3 is used to determine the costs incurred when no action is specified at a state (when the action specified at some previous state is maintained), an "Rvalue" R( i) is the result. R-values can be used to expediently add and remove TPs Transition Point Dynamic Programming from each state. If the Q-value of a TP is less than the R-value of the state it is associated with, then it is worthwhile having that TP at that state; otherwise it is not (Buckland, 1994). 3.4 CONVERGENCE TO MINIMAL TP OPTIMAL CONTROL It has been proven that a random sequence of TP additions, swaps and removals attempted at states throughout the state space will result in convergence to minimal TP optimal control (Buckland, 1994). This proof depends mainly on all TP modifications "locking-in" any potential cost reductions which are discovered as the result of learning exploration. The problem with this proof of convergence, and the theoretical form of TPDP described up to this point, is that each modification to the existing set of TPs (each addition, swap and removal) requires the determination of Q-values and R-values which are negligibly close to being exact. This means that a complete session of Q-Iearning must occur for every TP modification. 2 The result is excessive learning times - a problem circumvented by the practical form of TPDP described next. 4 4.1 PRACTICAL TPDP CONCURRENT TP ASSESSMENT To solve the problem of the protracted learning time required by the theoretical form of TPDP, many TP modifications can be assessed concurrently. That is, Q-Iearning can be employed not just to determine the Q-values and R-values for a single TP modification, but instead to learn these values for a number of concurrent modifications. Further, the modification attempts, and the learning of the values required for them, need not be initiated simultaneously. The determination of each value can be made part of the Q-Iearning process whenever new modifications are randomly attempted. This approa.ch is called "Pra.ctical TPDP". Practical TPDP consists of a continually running Q-Ieal'l1ing process (based on Equations 2 and 3), where the Q-values and R-values of a constantly changing set of TPs are learned. 4.2 USING WEIGHTS FOR CONCURRENT TP ASSESSMENT The main difficulty that arises when TPs are assessed concurrently is that of determining when an assessment is complete. That is, when the Q-values and R-values associated with each TP ha.ve been learned well enough for a TP modification to be made based on them. The technique employed to address this problem is to associate a "weight" wei, u) with ea.ch TP that indicates the general merit of that TP. The basic idea of weights is to facilita.te the random addition of trial TPs to a TP "assessment group" with a low initial weight Winitial. The Q-values and Rvalues of the TPs in the assessment group are learned in an ongoing Q-Iearning process, and the weights of the TPs are adjusted heuristically using those values. Of those TPs at any state i whose weights wei, u) have been increased above Wthr 2The TPDP proof allows for more than one TP swap to be assessed simultaneously, but this does little to reduce the overall problem being described (Buckland, 1994). 643 644 Buckland and Lawrence 100 Conventional Q-Iearning - ..c C> C Q) .....J - ..c CU a... 50 Q) C> ~ Q) ~ Practical TPDP o o 2500 Epoch Number Figure 2: Performance of Practical TPDP on a Race Track Problem (Winitial < Wthr < w max ), the one with the lowest Q-value Q(i, u) is swapped into the "policy TP" role for that state. The heuristic weight adjustment rules are: 1. New, trial TPs are given an initial weight of Wjnitial (0 < Winitial < Wthr). 2. Each time the Q-value of a TP is updated, the weight w(i, u) of that TP is incremented if Q(i, u) < R(i) and decremented otherwise. 3. Each TP weight w( i, u) is limited to a maximum value of w max . This prevents anyone weight from becoming so large that it cannot readily be reduced again. 4. If a TP weight w(i, u) is decremented to 0 the TP is removed. An algorithm for Practical TPDP implementation is described in Buckland (1994). 4.3 PERFORMANCE OF PRACTICAL TPDP Practical TPDP was applied to a continuous version of a control task described by Barto et al. (1991) - that of controlling the acceleration of a car down a race track (specifically the track shown in Figures 3 and 4) when that car randomly experiences control action non-responsiveness. As shown in Figure 2 (each epoch in this Figure consisted of 20 training trials and 500 testing trials), Practical TPD P learned the optimal control policy much sooner than conventional Q-Iearning, and it was able to do so when limited to only 15% of the possible number of TPs (Buckland, 1994). The possible number of TPs is the full set of Q-values required by conventional Q-Iearning (one for each possible state and action combination). The main advantage of Practical TPDP is that it facilitates rapid learning of preliminary control policies. Figure 3 shows typical routes followed by the car early Transition Point Dynamic Programming Finishing Positions Starting Positions Figure 3: Typical Race Track Routes After 300 Epochs Finishing Positions Starting Positions Figure 4: Typical Race Track Routes After 1300 Epochs in the learning process. With the addition of relatively few TPs, the policy of accelerating wildly down the track, smashing into the wall and continuing on to the finishing positions was learned. Further learning centered around this preliminary policy led to the optimal policy of sweeping around the left turn. Figure 4 shows typical routes followed by the car during this shift in the learned policy - a shift indicated by a slight drop in the learning curve shown in Figure 2 (around 1300 epochs). After this shift, learning progressed rapidly until roughly optimal policies were consistently followed. A problem which occurs in Practical TPDP is that of the addition of superfluous TPs after the optimal policy has bac;ically been learned. The reasons this occurs are described in Buckland (1994), ac; well as a number of solutions to the problem. 5 CONCLUSION The practical form of TPDP performs very well when compared to conventional Q-Iearning. When applied to a race track problem it was able to learn optimal policies more quickly while using less memory. Like Q-learning, TPDP has all the 645 646 Buckland and Lawrence advantages and disadvantages that result from it being a direct control approach that develops no explicit system model (Watkins, 1989, Buckland, 1994). In order to take advantage of the sparse memory usage that occurs in TPDP, TPs are best represented by ACAMs (associative content addressable memories, Atkeson, 1989). A localized neural network design which operates as an ACAM and which facilitates Practical TPDP control is described in Buckland et al. (1993) and Buckland (1994). The main idea of TPDP is to, "try this for a while and see what happens". This is a potentially powerful approach, and the use of TPs associated with abstracted control actions could be found to have substantial utility in hierarchical control systems. Acknowledgements Thanks to John Ip for his help on this work. This work was supported by an NSERC Postgraduate Scholarship, and NSERC Operating Grant A4922. References Atkeson, C. G. (1989), "Learning arm kinematics and dynamics", Annual Review of Neuroscience, vol. 12, 1989, pp. 157-183. Barto, A. G., S. J. Bradtke and S. P. Singh (1991), "Real-time learning and control using asynchronous dynamic programming", COINS Technical Report 91-57, University of Massachusetts, Aug. 1991. Buckland, K. M. and P. D. Lawrence (1993), "A connectionist approach to direct dynamic programming control" , Proc. of the IEEE Pacific Rim Conf. on Communications, Computers and Signal Processing, Victoria, 1993, vol. 1, pp. 284-287. Buckland, K. M. (1994), Optimal Control of Dynamic Systems Through the Reinforcement Learning of Transition Points, Ph.D. Thesis, Dept. of Electrical Engineering, University of British Columbia, 1994. Chapman, D. and L. P. Kaelbling (1991), "Input generalization in delayed reinforcement-learning: an algorithm a.nd performance comparisons", Proc. of the 12th Int. Joint Con/. on Artificial Intelligence, Sydney, Aug. 1991, pp. 726-731. Jaakkola, T., M. I. Jordan and S. P. Singh (1994), "Stocha'ltic convergence of iterative DP algorithms", A dvances in N eM'al Information Processing Systems 6, eds.: J. D. Cowen, G. Tesauro and J. Alspector, San Francisco, CA: Morgan Kaufmann Publishers, 1994. Moore, A. W. (1991), "Variable resolution dynamic programming: efficiently learning action maps in multivariate real-valued state-spaces", Machine Learning: Proc. of the 8th Int. Workshop, San Mateo, CA: Morgan Kaufmann Publishers, 1991. Watkins, C. J. C. H. (1989), Learning from Delayed Rewards, Ph.D. Thesis, Cambridge University, Cambridge, England, 1989. Watkins, C. J. C. H. and P. Dayan (1992), "Q-Iearning", Machine Learning, vol. 8, 1992, pp. 279-292.
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Structured Machine Learning For 'Soft' Classification with Smoothing Spline ANOVA and Stacked Tuning, Testing and Evaluation Yuedong Wang Dept of Statistics University of Wisconsin Madison, WI 53706 Grace Wahba Dept of Statistics University of Wisconsin Madison, WI 53706 Chong Gu Dept of Statistics Purdue University West Lafayette, IN 47907 Ronald Klein, MD Dept of Ophthalmalogy University of Wisconsin Madison, WI 53706 Barbara Klein, MD Dept of Ophthalmalogy University of Wisconsin Madison, WI 53706 Abstract We describe the use of smoothing spline analysis of variance (SSANOVA) in the penalized log likelihood context, for learning (estimating) the probability p of a '1' outcome, given a training set with attribute vectors and outcomes. p is of the form pet) = eJ(t) /(1 + eJ(t)), where, if t is a vector of attributes, f is learned as a sum of smooth functions of one attribute plus a sum of smooth functions of two attributes, etc. The smoothing parameters governing f are obtained by an iterative unbiased risk or iterative GCV method. Confidence intervals for these estimates are available. 1. Introduction to 'soft' classification and the bias-variance tradeoff. In medical risk factor analysis records of attribute vectors and outcomes (0 or 1) for each example (patient) for n examples are available as training data. Based on the training data, it is desired to estimate the probability p of the 1 outcome for any 415 416 Wahba, Wang, Gu, Klein, and Klein new examples in the future, given their attribute vectors. In 'soft' classification, the estimate p of p is of particular interest, and might be used, say, by a physician to tell a patient that if he reduces his cholesterol from t to t', then he will reduce his risk of a heart attack from p(t) to p(t'). We assume here that p varies 'smoothly' with any continuous attribute (predictor variable). It is long known that smoothness penalties and Bayes estimates are intimately re- lated (see e.g. Kimeldorf and Wahba(1970, 1971), Wahba(1990) and references there). Our philosophy with regard to the use of priors in Bayes estimates is to use them to generate families of reasonable estimates (or families of penalty functionals) indexed by those smoothing or regularization parameters which are most relevant to controlling the generalization error. (See Wahba(1990) Chapter 3, also Wahba(1992)). Then use cross-validation, generalized cross validation (GCV), unbiased risk estimation or some other performance oriented method to choose these parameter(s) to minimize a computable proxy for the generalization error. A person who believed the relevant prior might use maximum likelihood (ML) to choose the parameters, but ML may not be robust against an unrealistic prior (that is, ML may not do very well from the generalization point of view if the prior is off), see Wahba(1985). One could assign a hyperprior to these parameters. However, except in cases where real prior information is available, there is no reason to believe that the use of hyperpriors will beat out a performance oriented criterion based on a good proxy for the generalization error, assuming, of course, that low generalization error is the true goal. O'Sullivan et al(1986) proposed a penalized log likelihood estimate of I, this work was extended to the SS-ANOVA context in Wahba, Gu, Wang and Chappell(1993), where numerous other relevant references are cited. This paper is available by ftp from ftp. stat. wise. edu, cd pub/wahba in the file soft-class. ps. Z. An extended bibliography is available in the same directory as ml-bib. ps. The SSANOVA allows a variety of interpretable structures for the possible relationships between the predictor variables and the outcome, and reduces to simple relations in some of the attributes, or even, to a two-layer neural net, when the data suggest that such a representation is adequate. 2. Soft classification and penalized log likelihood risk factor estimation To describe our 'worldview', let t be a vector of attributes, tEn E T, where n is some region of interest in attribute space T. Our 'world' consists of an arbitrarily large population of potential examples, whose attribute vectors are distributed in some way over n and, considering all members of this 'world' with attribute vectors in a small neighborhood about t, the fraction of them that are l's is p(t). Our training set is assumed to be a random sample of n examples from this population, whose outcomes are known, and our goal is to estimate p(t) for any tEO. In 'soft' classification, we do not expect one outcome or the other to be a 'sure thing', that is we do not expect p(t) to be 0 or 1 for large portions of n. Next, we review penalized log likelihood risk estimates. Let the training data be {Yi, t(i), i 1, ... n} where Yi has the value 1 or 0 according to the classification of example i, and t(i) is the attribute vector for example i. If the n examples are a random sample from our 'world', then the likelihood function of this data, given = "Soft" Classification with Smoothing Spline ANOVA p( .), is likelihood{y, p} = II~=lP(t(i))Yi (1 - p(t(i) ))l-Yi, (1) which is the product of n Bernoulli likelihoods. Define the logit f(t) by f(t) = 10g[P(t)/(I- p(t))], then p(t) = eJ(t) 1(1 + eJ(t)). Substituting in f and taking logs gIves =?(y, f) = L n -log likelihood{y, f} log(1 + eJ(t(i))) - Yif(t(i)). (2) i=l We estimate f assuming that it is in some space 1l of smooth functions. (Technically, 1l is a reproducing kernel Hilbert space, see Wahba(1990), but you don't need to know what this is to read on). The fact that f is assumed 'smooth' makes the methods here very suitable for medical data analysis. The penalized log likelihood estimate f>.. of f will be obtained as the minimizer in 1l of n (3) ?(y, f) + "2)"J(J) where J(J) is a suitable 'smoothness' penalty. A simple example is, T = [0,1] and 1 (J(m) (t))2dt, in which case f>.. is a polynomial spline of degree 2m - 1. If J(J) = Jo (4) then f>.. is a thin plate spline. The thin plate spline is a linear combination of polynomials of degree m or less in d variables, and certain radial basis functions. For more details and other penalty functionals which result in rbf's, see Wahba(1980, 1990, 1992). ? The likelihood function ?(y, f) will be maximized if p(t(i)) is 1 or according as Yi is 1 or 0. Thus, in the (full-rank) spline case, as ).. -+ 0, 1>.. tends to +00 or -00 at the data points. Therefore, by letting).. be small, we can come close to fitting the data points exactly, but unless the 1 's and O's are well separated in attribute space, f>.. will be a very 'wiggly' function and the generalization error (not precisely defined yet) may be large. The choice of ).. represents a tradeoff between overfitting and underfitting the data (bias-variance tradeoff). It is important in practice good value of )... We now define what we mean by a good value of )... Given the family PA,).. > 0, we want to choose ).. so that PA is close to the 'true' but unknown p so that, if new examples arrive with attribute vector in a neighborhood of t, PA (t) will be a good estimate of the fraction of them that are 1 'so 'Closeness' can be defined in various reasonable ways. We use the Kullbach-Leibler (K L) distance (not a real distance!). The K L distance between two probability measures (g, g) is defined as K L(g, g) Eg [log (g 1g)], where Eg means expectation given g is the true distribution. If v(t) is some probability measure on T, (say, a proxy for the distribution ofthe attributes in the population), then define K Lv (p, PA) (for Bernoulli random variables) with respect to v as = K Lv(p, PA) = J [P(t)log (;(~l)) + (1 - ] p(t)) log (11 ~ :A(~l)) dv(t). (5) 417 418 Wahba, Wang, Gu, Klein, and Klein Since K Lv is not computable from the data, it is necessary to develop a computable proxy for it, By a computable proxy is meant a function of), that can be calculated from the training set which has the property that its minimizer is a good estimate of the minimizer of K Lv, By letting p>.(t) = e!>.(t) /(1 + e!>.(t?) it is seen that to minimize K Lv, it is only necessary to minimize J [log(l + e!>.(t?) - (6) p(t)f>.(t)]dv(t) over). since (5) and (6) differ by something that does not depend on )., Leavingout-half cross validation (!CV) is one conceptually simple and generally defensible (albeit possibly wasteful) way of choosing). to minimize a proxy for K Lv(p, P>.), The n examples are randomly divided in half and the first n/2 examples are used to compute P>. for a series of trial values of )., Then, the remaining n/2 examples are used to compute KLl.~ cv ().) = ~n ~ ~ [log(l + e!>.(t(i?) - Yif>.(t(i))] (7) i::~+l for the trial values of )., Since the expected value of Yi is p(t(i)), (7) is, for each), an unbiased estimate of (6) with dv the sampling distribution of the {tel), ,." t(n/2)}, ). would then be chosen by minimizing (7) over the trial values. It is inappropriate to just evaluate (7) using the same data that was used to obtain f>., as that would lead to overfitting the data, Variations on (7) are obtained by successively leaving out groups of data. Leaving-out-one versions of (7) may be defined, but the computation may be prohibitive. 3. Newton-Raphson Iteration and the Unbiased Risk estimate of A. We use the unbiased risk estimate given in Craven and Wahba(1979) for smoothing spline estimation with Gaussian errors, which has been adapted by Gu(1992a) for the Bernoulli case, To describe the estimate we need to describe the NewtonRaphson iteration for minimizing (3). Let b(J) = log(l + e f ), then Ley, f) = E?::db(J(t(i)) - Yif(t(i))], It is easy to show that Ey; f(t(i)) b'(f(t(i)) and var Yi = p(t(i))(l - p(t(i)) = b"(f(t(i)). Represent f either exactly by using a basis for the (known) n-space of functions containing the solution, or approximately by suitable approximating basis functions, to get = = N f ~ L CkBk? (8) k=l Then we need to find C n = (C1' . ' . , C N)' to minimize N N 1>.(c) = L beL CkBk(t(i))) - Yi(L CkBk(t(i))) ;=1 k=l + ~ ).c'~c, (9) k=l where E is the necessarily non-negative definite matrix determined by J (Ek Ck Bk) = c'Ec. The gradient \l 1>. and the Hessian \l2l.x of l.x are given by = X' (Pc - y) + n).~c, (10) "Soft" Classification with Smoothing Spline ANOVA = X' WcX + nXE, (11) where X is the matrix with ijth entry Bj(t(i)), Pc is the vector with ith entry Pc (t(i)) given by Pc (t(i)) = (1~:c/~g~:?) where fcO = 2::=1 ekBk(?), and Wc is the diagonal matrix with iith entry Pc(t(i))(I-Pc(t(i))). Given the ith Newton-Raphson iterate eCl ), e(l+1) is given by e(l+1) and e( l+ 1 ) = eel) - (X'WC<l) X + nA~)-l(X'(pc(l) - y) + nA~e(l)) (12) is the minimizer of Iil\e) = IIz(l) - Wcl(~~ Xell 2 + nAe'~e. (13) where z(l), the so-called pseudo-data, is given by z(l) = Wc(l~/2(y - Pdl?) + W:(~~XeCl). (14) The 'predicted' value z(l) = W:(~~ X e, where e is the minimizer of (13), is related to the pseudo-data z(l) by Z(l) = A(l)(A)Z(l), (15) where A(l)(A) is the smoother matrix given by A(l)(A) = W:(~~ X(X'Wc(l)X + nA~)-l X'W:(~~. (16) In Wahba(1990), Section 9.2 1, it was proposed to obtain a GCV score for A in (9) as follows: For fixed A, iterate (12) to convergence. Define VCl)(A) = ~II(I - A(l) (A))z(l) 112 /(~tr(I - A(l) (A)))2 . Letting L be the converged value of i, compute VCL)(A) = ~II(I - A(L) (A))z(L) 112 ,. . , ~IIW:clr(Y - pC<L?)1I 2 (~tr(I - A(L)(A)))2 (~tr(I - A(L)(A)))2 (17) and minimize VeL) with respect to A. Gu(1992a) showed that (since the variance is known once the mean is known here) that the unbiased risk estimate U (A) in Craven and Wahba can also be adapted to this problem as U(l)(A) = .!.IIW(l~/2(y - Pc(l?)11 2 + ~tr A(l)(A). n c n (18) He also proposed an alternating iteration, different than that described in Wahba(1990), namely, given eCl) e(l)(A(l?), find A ACl+l) to minimize (18). Given A(l+!) , do a Newton step to get eCl +1 ), get A(l+2) by minimizing (18), continue until convergence. He showed that the alternating iteration gave better estimates of A using V than the iteration in Wahba(1990), as measured by the [( L-distance. His results (with the alternating iteration) suggested U had somewhat of an advantage over V, and that is what we are using in the present work. Zhao et aI, this volume, have used V successfully with the alternating iteration. = = lThe definition of A there differs from the definition here by a factor of n/2 . Please note the typographical error in (9.2.18) there where A should be 2A. 419 420 Wahba, Wang, Gu, Klein, and Klein 4. Smoothing spline analysis of variance (SS-ANOVA) In SS-ANOVA, /(t) = l(t1, ... , td) is decomposed as I(t) = I-' + L /a(ta) + L a /a/3(ta , t/3) + ... (19) a</3 where the terms in the expansion are uniquely determined by side conditions which generalize the side conditions ofthe usual ANOVA decompositions. Let the logit/(t) be of the form (19) where the terms are summed over Ct EM, Ct, f3 E M, etc. where M indexes terms which are chosen to be retained in the model after a model selection procedure. Then 1>..,8, an estimate of I, is obtained as the minimizer of ?(y, 1>.,8) where J8(1) = L (J~lJa(fa) aEM + )"J8 (I) + L (J;JJa/3(fa/3) (20) +... (21) a,{3EM The Ja , J a/3, ... are quadratic 'smoothness' penalty functionals, and the (J's satisfy a single constraint. For certain spline-like smoothness penalties, the minimizer of (20) is known to be in the span of a certain set of n functions, and the vector c of coefficients of these functions can (for fixed ().., (J)) be chosen by the Newton Raphson iteration. Both)" and the (J's are estimated by the unbiased risk estimate of Gu using RKPACK( available from netlibClresearch. att. com) as a subroutine at each Newton iteration. Details of smoothing spline ANOVA decompositions may be found in Wahba(1990) and in Gu and Wahba(1993) (also available by ftp to ftp.stat.wisc.edu, cd to pub/wahba , in the file ssanova.ps.Z). In Wahba et al(1993) op cit, we estimate the risk of diabetes given some of the attributes in the Pima-Indian data base. There M was chosen partly by a screening process using paramteric GLIM models and partly by a leaving out approximately 1/3 procedure. Continuing work involves development of confidence intervals based on Gu(1992b), development of numerical methods suitable for very large data sets based on Girard's(1991) randomized trace estimation, and further model selection issues. In the Figures we provide some preliminary analyses of data from the Wisconsin Epidemiological Study of Diabetic Retinopathy (WESDR, Klein et al 1988). The data used here is from people with early onset diabetes participating in the WESDR study. Figure 1(left) gives a plot of body mass index (bmi) (a measure of obesity) vs age (age) for 669 instances (subjects) in the WESDR study that had no diabetic retinopathy or non proliferative retinopathy at the start of the study. Those subjects who had (progressed) retinopathy four years later, are marked as * and those with no progression are marked as '. The contours are lines of estimated posterior standard deviation of the estimate p of the probability of progression. These contours are used to delineate a region in which p is deemed to be reliable. Glycosylated hemoglobin (gly), a measure of blood sugar control. was also used in the estimation of p. A model of the form p eJ /(1 + eJ ), I(age, gly, bmi) I-' + h(age) + b? gly + h(bmi) + ha(age, bmi) was selected using some of the screening procedures described in Wahba et al(1993), along with an examination of the estimated multiple smoothing parameters, which indicated that the linear term in gly was sufficient to describe the (quite strong) dependence on gly. Figure l(right) shows the estimated probability of progression = = "Soft" Classification with Smoothing Spline ANOVA given by this model. 1(right), and Figure interval. Interesting 20's with higher gly Figure 2(left) gives cross sections of the fitted model of Figure 2(right) gives another cross section, along with its confidence observations can be made, for example, persons in their late and bmi are at greatest risk for progression of the disease . ...?. ........... - .: -..-... ............ : .............. ' . .... .....":: :? ???? ??? 10 20 30 40 50 60 age (yr) Figure 1: Left: Data and contours of constant posterior standard deviation at the median gly, as a function of age and bmi. Right: Estimated probability of progression at the median gly, as a function of age and bmi. q CD o q1 bmi q2bmi q3bmi q4bmi gy.q2 gy-q3 l:jI,,-??? <:AJian bmi-median o o 10 20 30 40 50 60 age (yr) 10 20 30 40 50 60 age (yr) 10 20 30 40 50 60 age (yr) Figure 2: Left: Eight cross sections of the right panel of Figure 1, Estimated probability of progression as a function of age, at four levels of bmi by two of gly. q1, ... q4 are the quartiles at .125, .375, .625 and .875. Right: Cross section of the right panel of Figure 1 for bmi and gly at their medians, as a function of age, with Bayesian 'condifidence interval' (shaded) which generalizes Gu(1992b) to the multivariate case. 421 422 Wahba, Wang, Gu, Klein, and Klein Acknowledgements Supported by NSF DMS-9121003 and DMS-9301511, and NEI-NIH EY09946 and EY03083 References Craven, P. & Wahba, G. (1979), 'Smoothing noisy data with spline functions: estimating the correct degree of smoothing by the method of generalized crossvalidation', Numer. Math. 31,377-403. Girard, D. (1991), 'Asymptotic optimality of the fast randomized versions of GCV and C L in ridge regression and regularization', Ann. Statist. 19, 1950-1963. Gu, C. (1992a), 'Cross-validating non-Gaussian data', J. Comput. Graph. Stats. 1,169-179. Gu, C. (1992b), 'Penalized likelihood regression: a Bayesian analysis', Statistica Sinica 2,255-264. Gu, C. & Wahba, G. (1993), 'Smoothing spline ANOVA with component-wise Bayesian "confidence intervals''', J. Computational and Graphical Statistics 2, 1-2l. Kimeldorf, G. & Wahba, G. (1970), 'A correspondence between Bayesian estimation of stochastic processes and smoothing by splines', Ann. Math. Statist. 41,495-502. Klein, R., Klein, B., Moss, S. Davis, M., & DeMets, D. (1988), Glycosylated hemoglobin predicts the incidence and progression of diabetic retinopathy, JAMA 260, 2864-287l. O'Sullivan, F., Yandell, B. & Raynor, W. (1986), 'Automatic smoothing of regression functions in generalized linear models', J. Am. Stat. Soc. 81, 96-103. Wahba, G. (1980), Spline bases, regularization, and generalized cross validation for solving approximation problems with large quantities of noisy data, in W. Cheney, ed., 'Approximation Theory III', Academic Press, pp. 905-912. Wahba, G. (1985), 'A comparison of GCV and GML for choosing the smoothing parameter in the generalized spline smoothing problem', Ann. Statist. 13, 13781402. Wahba, G. (1990), Spline Models for Observational Data, SIAM. CBMS-NSF Regional Conference Series in Applied Mathematics, vol. 59. Wahba, G. (1992), Multivariate function and operator estimation, based on smoothing splines and reproducing kernels, in M. Casdagli & S. Eubank, eds, 'Nonlinear Modeling and Forecasting, SFI Studies in the Sciences of Complexity, Proc. Vol XII' , Addison-Wesley, pp. 95-112. Wahba, G., Gu, C., Wang, Y. & Chappell, R. (1993), Soft classification, a. k. a. risk estimation, via penalized log likelihood and smoothing spline analysis of variance, to appear, Proc. Santa Fe Workshop on Supervised Machine Learning, D. Wolpert and A. Lapedes, eds, and Proc. CLNL92, T. Petsche, ed, with permission of all eds.
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850 Strategies for Teaching Layered Networks Classification Tasks Ben S. Wittner 1 and John S. Denker AT&T Bell Laboratories Holmdel, New Jersey 07733 Abstract There is a widespread misconception that the delta-rule is in some sense guaranteed to work on networks without hidden units. As previous authors have mentioned, there is no such guarantee for classification tasks. We will begin by presenting explicit counterexamples illustrating two different interesting ways in which the delta rule can fail. We go on to provide conditions which do guarantee that gradient descent will successfully train networks without hidden units to perform two-category classification tasks. We discuss the generalization of our ideas to networks with hidden units and to multicategory classification tasks. The Classification Task Consider networks of the form indicated in figure 1. We discuss various methods for training such a network, that is for adjusting its weight vector, w. If we call the input v, the output is g(w? v), where 9 is some function. The classification task we wish to train the network to perform is the following. Given two finite sets of vectors, Fl and F2, output a number greater than zero when a vector in Fl is input, and output a number less than zero when a vector in F2 is input. Without significant loss of generality, we assume that 9 is odd (Le. g( -s) == -g( s?. In that case, the task can be reformulated as follows. Define 2 F :== Fl U {-v such that v E F2} (1) and output a number greater than zero when a vector in F is input. The former formulation is more natural in some sense, but the later formulation is somewhat more convenient for analysis and is the one we use. We call vectors in F, training vectors. A Class of Gradient Descent Algorithms We denote the solution set by W :== {w such that g(w? v) > 0 for all v E F}, lCurrently at NYNEX Science and Technology, 500 Westchester Ave., White Plains, NY 10604 2 We use both A := Band B =: A to denote "A is by definition B". @ American Institute of Physics 1988 (2) 851 output inputs Figure 1: a simple network and we are interested in rules for finding some weight vector in W. We restrict our attention to rules based upon gradient'descent down error functions E(w) of the form E(w) = L h(w . v). (3) VEF The delta-rule is of this form with 1 h(w . v) = h6(W . v) := -(b - g(w . v))2 2 (4) for some positive number b called the target (Rumelhart, McClelland, et al.). We call the delta rule error function E 6 . Failure of Delta-rule Using Obtainable Targets Let 9 be any function that is odd and differentiable with g'(s) > 0 for all s. In this section we assume that the target b is in the range of g. We construct a set F of training vectors such that even though M' is not empty, there is a local minimum of E6 not located in W. In order to facilitate visualization, we begin by assuming that 9 is linear. We will then indicate why the construction works for the nonlinear case as well. We guess that this is the type of counter-example alluded to by Duda and Hart (p. 151) and by Minsky and Papert (p. 15). The input vectors are two dimensional. The arrows in figure 2 represent the training vectors in F and the shaded region is W. There is one training vector, vI, in the second quadrant, and all the rest are in the first quadrant. The training vectors in the first quadrant are arranged in pairs symmetric about the ray R and ending on the line L. The line L is perpendicular to R, and intersects R at unit distance from the origin. Figure 2 only shows three of those symmetric pairs, but to make this construction work we might need many. The point p lies on R at a distance of g-l(b) from the origin . We first consider the contribution to E6 due to any single training vector, v. The contribution is (5) (1/2)(b - g(w? v))2, and is represented in figure 3 in the z-direction. Since 9 is linear and since b is in the \ p, ," ..... \ \ , ,'c" \ , ,. , R , , L \ X-axis 853 x-axis Figure 3: Error surface We now remove the assumption that 9 is linear. The key observation is that dh6/ds == h/(s) = (b - g(s?( -g'(s? (6) still only has a single zero at g-l(b) and so h(s) still has a single minimum at g-l(b). The contribution to E6 due to the training vectors in the first quadrant therefore still has a global minimum on the xy-plane at the point p. So, as in the linear case, if there are enough symmetric pairs of training vectors in the first quadrant, the value of Eo at p can be made arbitrarily lower than the value along some circle in the xy-plane centered around p, and E5 = Eo + El will have a local minimum arbitrarily near p. Q.E.D. Failure of Delta-rule Using Unobtainable Targets We now consider the case where the target b is greater than any number in the range of g. The kind of counter-example presented in the previous section no longer exists, but we will show that for some choices of g, including the traditional choices, the delta rule can still fail. Specifically, we construct a set F of training vectors such that even though W is not empty, for some choices of initial weights, the path traced out by going down the gradient of E5 never enters W. 854 y-axis , , ",.,-P 4 J'=----~----~--~ L q , __ .... :, , , , , ,:~ x-axis Figure 4: Counter-example for unobtainable targets We suppose that 9 has the following property. There exists a number r > 0 such that . hs'( -rs) hm h 5'() = S _-00 (7) o. An example of such a 9 is 9(S) 2 = tanh(s) = 1 + e- 2., - 1, (8) for which any r greater than 1 will do. The solid arrows in figure 4 represent the training vectors in F and the more darkly shaded region is W. The set F has two elements, and v2 The dotted ray, R lies on the diagonal {y = x}. =mm[n (9) Since (10) 855 the gradient descent algorithm follows the vector field -v E(w) = -h/(w? h/(w. V 2 )V 2 . V1)V 1 - (11) The reader can easily verify that for all won R, (12) So by equation (7), if we constrain w to move along R, . -h/(w. vI) hm , 2 = O. w ...... oo -h o (w . v ) (13) Combining equations (11) and (13) we see that there is a point q somewhere on R such that beyond q, - V E( w) points into the region to the right of R, as indicated by the dotted arrows in figure 4. Let L be the horizontal ray extending to the right from q. Since for all s, g'(s) > 0 and b> g(s), (14) o. (15) we get that - h/(s) = (b - g(s?g'(s) > So since both vI and v 2 have a positive y-component, -V E(w) also has a positive y-component for all w. So once the algorithm following -V E enters the region above L and to the right of R (indicated by light shading in figure 4), it never leaves. Q.E.D. Properties to Guarantee Gradient Descent Learning In this section we present three properties of an error function which guarantee that gradient descent will not fail to enter a non-empty W. We call an error function of the form presented in equation (3) well formed if h is differentiable and has the following three properties. 1. For all s, -h'( s) ~ 0 (i.e. h does not push in the wrong direction). 2. There exists some f > 0 such that -h'(s) if there is a misclassification). ~ f for all s ~ 0 (i.e. h keeps pushing 3. h is bounded below. Proposition 1 If the error junction is well formed, then gradient descent is guaranteed to enter W, provided W is not empty. 856 The proof proceeds by contradiction. Suppose for some starting weight vector the path traced out by gradient descent never enters W. Since W is not empty, there is some non-zero w* in W. Since F is finite, A := min{w*. v such that v E F} -:> O. (16) Let wet) be the path traced out by the gradient descent algorithm. So w'(t) = -VE(w(t? = I:: -h'(w(t) ?v)v for all t. (17) vEF Since we are assuming that at least one training vector is misclassified at all times, by properties 1 and 2 and equation (17), w* . w'(t) 2: fA So Iw'(t)1 2: fA/lw*1 =: for all t. e> 0 (18) for all t. (19) By equations (17) and (19), dE(w(t?/dt = V E? w'(t) = -w'(t) . w'(t) ~ -e < 0 for all t. (20) This means that E(w(t? --+ -00 as t --+ 00. (21) But property 3 and the fact that F is finite guarantee that E is bounded below. This contradicts equation (21) and finishes the proof. Consensus and Compromise So far we have been concerned with the case in which F is separable (i.e. W is not empty). What kind of behavior do we desire in the non-separable case? One might hope that the algorithm will choose weights which produce correct results for as many of the training vectors as possible. We suggest that this is what gradient descent using a well formed error function does. From investigations of many well formed error functions, we suspect the following well formed error function is representative. Let g( s) = s, and for some b > 0, let h(S)={ (b-s)2 o ifs~~; otherwIse. (22) In all four frames of figure 5 there are three training vectors. Training vectors 1 and 2 are held fixed while 3 is rotated to become increasingly inconsistent with the others. In frames (i) and (ii) F is separable. The training set in frame (iii) lies just on the border between separability and non-separability, and the one in frame (iv) is in the interior of 857 i) 3 ii ) 3 2 1 iv) iii) 2 3 ... L.1 2 1 3 Figure 5: The transition between seperability and non-seperability the non-separable regime. Regardless of the position of vector 3, the global minimum of the error function is the only minimum. In frames (i) and (ii), the error function is zero on the shaded region and the shaded region is contained in W. As we move training vector number 3 towards its position in frame (iii), the situation remains the same except the shaded region moves arbitrarily far from the origin. At frame (iii) there is a discontinuity; the region on which the error function is at its global minimum is now the one-dimensional ray indicated by the shading. Once training vector 3 has moved into the interior of the non-separable regime, the region on which the error function has its global minimum is a point closer to training vectors 1 and 2 than to 3 (as indicated by the "x" in frame (iv?. If all the training vectors can be satisfied, the algorithm does so; otherwise, it tries to satisfy as many as possible, and there is a discontinuity between the two regimes. We summarize this by saying that it finds a consensus if possible, otherwise it devises a compromise. Hidden Layers For networks with hidden units, it is probably impossible to prove anything like proposition 1. The reason is that even though property 2 assures that the top layer of weights 858 gets a non-vanishing error signal for misclassified inputs, the lower layers might still get a vanishingly weak signal if the units above them are operating in the saturated regime. We believe it is nevertheless a good idea to use a well formed error function when training such networks. Based upon a probabilistic interpretation of the output of the network, Baum and Wilczek have suggested using an entropy error function (we thank J.J. Hopfield and D.W. Tank for bringing this to our attention). Their error function is well formed. Levin, Solla, and Fleisher report simulations in which switching to the entropy error function from the delta-rule introduced an order of magnitude speed-up of learning for a network with hidden units. Multiple Categories Often one wants to classify a given input vector into one of many categories. One popular way of implementing multiple categories in a feed-forward network is the following. Let the network have one output unit for each category. Denote by oj(w) the output of the j-th output unit when input v is presented to the network having weights w. The network is considered to have classified v as being in the k-th category if or(w) > oj(w) for all j ~ k. (23) The way such a network is usually trained is the generalized delta-rule (Rumelhart, McClelland, et al.). Specifically, denote by c(v) the desired classification of v and let b"! .= {b 1 ? if j = c(v); -b otherwise, (24) for some target b > O. One then uses the error function E(w):= EE (bj - oj (w?) v . 2 ? (25) 3 This formulation has several bothersome aspects. For one, the error function is not will formed. Secondly, the error function is trying to adjust the outputs, but what we really care about is the differences between the outputs. A symptom of this is the fact that the change made to the weights of the connections to any output unit does not depend on any of the weights of the connections to any of the other output units. To remedy this and also the other defects of the delta rule we have been discussing, we suggest the following. For each v and j, define the relative coordinate (26) 859 What we really want is all the 13 to be positive, so use the error function E(w):= E E h (f3j(w)) (27) v #c(v) for some well formed h. In the simulations we have run, this does not always help, but sometimes it helps quite a bit. We have one further suggestion. Property 2 of a well formed error function (and the fact that derivatives are continuous) means that the algorithm will not be completely satisfied with positive 13; it will try to make them greater than zero by some non-zero margin. That is a good thing, because the training vectors are only representatives of the vectors one wants the network to correctly classify. Margins are critically important for obtaining robust performance on input vectors not in the training set. The problem is that the margin is expressed in meaningless units; it makes no sense to use the same numerical margin for an output unit which varies a lot as is used for an output unit which varies only a little. We suggest, therefore, that for each j and v, keep a running estimate of uj(w), the variance of f3J(w), and replace f3J(w) in equation (27) by f3J (w)/uj (w). (28) Of course, when beginning the gradient descent, it is difficult to have a meaningful estimate of uj(w) because w is changing so much, but as the algorithm begins to converge, your estimate can become increasingly meaningful. References 1. David Rumelhart, James McClelland, and the PDP Research Group, Parallel Dis- tributed Processing, MIT Press, 1986 2. Richard Duda and Peter Hart, Pattern Classification and Scene Analysis, John Wiley & Sons, 1973. 3. Marvin Minsky and Seymour Papert, "On Perceptrons", Draft, 1987. 4. Eric Baum and Frank Wilczek, these proceedings. 5. Esther Levin, Sara A. Solla, and Michael Fleisher, private communications.
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How to Describe Neuronal Activity: Spikes, Rates, or Assemblies? Wulfram Gerstner and J. Leo van Hemmen Physik-Department der TU Miinchen D-85748 Garching bei Miinchen, Germany Abstract What is the 'correct' theoretical description of neuronal activity? The analysis of the dynamics of a globally connected network of spiking neurons (the Spike Response Model) shows that a description by mean firing rates is possible only if active neurons fire incoherently. If firing occurs coherently or with spatio-temporal correlations, the spike structure of the neural code becomes relevant. Alternatively, neurons can be gathered into local or distributed ensembles or 'assemblies'. A description based on the mean ensemble activity is, in principle, possible but the interaction between different assemblies becomes highly nonlinear. A description with spikes should therefore be preferred. 1 INTRODUCTION Neurons communicate by sequences of short pulses, the so-called action potentials or spikes. One of the most important problems in theoretical neuroscience concerns the question of how information on the environment is encoded in such spike trains: Is the exact timing of spikes with relation to earlier spikes relevant (spike or interval code (MacKay and McCulloch 1952) or does the mean firing rate averaged over several spikes contain all important information (rate code; see, e.g., Stein 1967)? Are spikes of single neurons important or do we have to consider ensembles of equivalent neurons (ensemble code)? If so, can we find local ensembles (e.g., columns; Hubel and Wiesel 1962) or do neurons form 'assemblies' (Hebb 1949) distributed all over the network? 463 464 Gerstner and van Hemmen 2 SPIKE RESPONSE MODEL We consider a globally connected network of N neurons with 1 ~ i ~ N. A neuron i fires, if its membrane potential passes a threshold (). A spike at time t{ is described by a 6-pulse; thus Sf (t) = L:~=1 6(t - t{) is the spike train of neuron i. Spikes are labelled such that tt is the most recent spike and tf is the Fth spike going back in time. In the Spike Response Model, short SRM, (Gerstner 1990, Gerstner and van Hemmen 1992) a neuron is characterized by two different response junctions, f and "1re f . Spikes which neuron i receives from other neurons evoke a synaptic potential (1) where the response kernel 0 f(S) = { -::-r,,_a exp (,,_a - -T,T. tr tr ) for s < Ll tr lor s > u r CAt (2) describes a typical excitatory or inhibitory postsynaptic potential; see Fig. 1. The weight Jij is the synaptic efficacy of a connection from j to i, Ll tr is the axonal (and synaptic) transmission time, and T" is a time constant of the postsynaptic neuron. The origin S 0 in (2) denotes the firing time of a presynaptic spike. In simulations we usually assume T" = 2 ms and for Ll tr a value between 1 and 4 ms = Similarly, spike emission induces refractoriness immediately after spiking. This is modelled by a refractory potential (3) with a refractory function "1 re f () s ={ -00 "1o/(s _ ,ref) for for S ~ ,ref S > ,ref. (4) For 0 ~ s ~ ,ref the neuron is in the absolute refractory period and cannot spike at all whereas for s > ,ref spiking is possible but difficult (relative refractory period). To put it differently, () - "1 ref (s) describes an increased threshold immediately after spiking; cf. Fig. 1. In simulations, ,ref is taken to be 4 ms. Note that, for the sake of simplicity, we assume that only the most recent spike Sf induces refractoriness whereas all past spikes Sf contribute to the synaptic potential; cf., Eqs. (1) and (3). How to Describe Neuronal Activity: Spikes, Rates, or Assemblies? Fig 1 Response functions. 9-n(s) w f 0.5 CD 0.0 '-........o...-_Ll------'-_L-..--'---.----l---=::::t=~ 0.0 Immediately after firing at 8 = the effective threshold is increased to (J - TIre! (8) (dashed). The form of an excitatory postsynaptic potential (EPSP) is described by the response function f( 8) (solid). It is delayed by a time ~ tr. The arrow denotes the period Tosc of coherent oscillations; d. Section 5. o 5.0 10.0 5[m5] 15.0 20.0 The total membrane potential is the sum of both parts, i.e. hi(t) = h~ef (t) + h:yn(t). (5) Noise is included by introduction of a firing probability PF(h; 6t) = r- 1 (h) 6t. (6) where 6t is an infinitesimal time interval and r(h) is a time constant which depends on the momentary value of the membrane potential in relation to the threshold (). In analogy to the chemical reaction constant we assume r(h) = ro exp[-,B(h - (})], (7) where ro is the response time at threshold. The parameter ,B determines the amount of noise in the system. For,B --+ 00 we recover the noise-free behavior, i.e., a neuron fires immediately, if h > () (r --+ 0), but it cannot fire, if h < () (r --+ (0). Eqs. (1), (3), (5), and (6) define the spiking dynamics in a network of SRM-neurons. 3 FIRING STATISTICS We start our considerations with a large ensemble of identical neurons driven by the same arbitrary synaptic potential h 3yn (t) . We assume that all neurons have fired a first spike at t = t{ . Thus the total membrane potential is h(t) = hsyn(t) + 7]re f (tto. If h(t) slowly approaches (), some of the neurons will fire again. We now ask for the probability that a neuron which has fired at time t{ will fire again at a later time t. The conditional probability p~2\tlt{) that the next spike of a given neuron occurs at time t > t{ is p~2)(tlt{) = r-l[h(t)] exp { -1; r- 1 [h(S')]dS'} . (8) The exponential factor is the portion of neurons that have survived from time t{ to time t without firing again and the prefactor r- 1 [h(t)] is the instantaneous firing probability (6) at time t. Since the refractory potential is reset after each spike, the spiking statistics does not depend on earlier spikes, in other words, it is fully described by p~2)(tlt{). This will be used below; cf. Eq. (14) . 465 466 Gerstner and van Hemmen = As a special case, we may consider constant synaptic input h 3yn h O? In this case, (8) yields the distribution of inter-spike intervals in a spike train of a neuron driven by constant input h O? The mean firing rate at an input level h O is defined as the inverse of the mean inter-spike interval. Integration by parts yields I[h o] = {J.;dt(t-t{lP~2)(tlt{l} -I = {J.oodsexp{-lT-I[hO+~"f (s'l]ds'} } -I (9) Thus both firing rate and interval distribution can be calculated for arbitrary inputs. 4 ASSEMBLY FORMATION AND NETWORK DYNAMICS We now turn to a large, but structured network. Structure is induced by the formation of different assemblies in the system. Each neuronal assembly aP. (Hebb 1949) consists of neurons which have the tendency to be active at the same time. Following the traditional interpretation, active means an elevated mean firing rate during some reasonable period of time. Later, in Section 5.3, we will deal with a different interpretation where active means a spike within a time window of a few ms. In any case, the notion of simultaneous activity allows to define an activity pattern {~r, 1 :::; i :::; N} with ~r 1 if i E aP. and ~r 0 otherwise. Each neuron may belong to different assemblies 1 :::; I-l :::; q. The vector ,~n is the 'identity card' of neuron i, e.g., = (1,0,0,1,0) says that neuron i belongs to assembly 1 and 4 but not to assembly 2,3, and 5. = ei = ei = (a, ... Note that, in general, there are many neurons with the same identity card. This can be used to define ensembles (or sublattices) L(x) of equivalent neurons, i.e., L(x) = {ilei = x} (van Hemmen and Kiihn 1991). In general, the number of neurons IL(x)1 in an ensemble L(x) goes to infinity if N --;. 00, and we write IL(x)1 = p(x)N. The mean activity of an ensemble L(x) can be defined by A(x, t) = at--+o lim lim N--+oo IL(x)I- 1 I L iEL(X) t t +at S[ (t)dt. (10) In the following we assume that the synaptic efficacies have been adjusted according to some Hebbian learning rule in a way that allows to stabilize the different activity patterns or assemblies ap.. To be specific, we assume J q q Jij = ~ L L Qp.vpost(~r)pre(~j) (11) p.=lv=l where post(x) and pre(x) are some arbitrary functions characterizing the pre- and postsynaptic part of synaptic learning. Note that for Qp.v fJp.v and post(x) and pre(x) linear, Eq. (11) can be reduced to the usual Hebb rule. = With the above definitions we can write the synaptic potential of a neuron i E L(x) in the following form q h 3yn (x , t) = Jo L q (>0 L Qp.vpost(xp.) Lpre(zV) 10 p.=lv=l z 0 f(s')p(z)A(z, t - s')ds'. (12) How to Describe Neuronal Activity: Spikes, Rates, or Assemblies? We note that the index i and j has disappeared and there remains a dependence upon x and z only. The activity of a typical ensemble is given by (Gerstner and van Hemmen 1993, 1994) A(x, t) = 1 00 p?)(tlt - s)A(x, t - s)ds where {-1 p~2)(tlt-s) = r- 1 [h',yn(x, t)+7]re f (s)] exp (13) 3r - 1 [h3 yn(x, t - s+s' )+7]re f (s')]ds' } (14) is the conditional probability (8) that a neuron i E L(x) which has fired at time t-s fires again at time t. Equations (12) - (14) define the ensemble dynamics of the network. 5 DISCUSSION 5.1 ENSEMBLE CODE Equations. (12) - (14) show that in a large network a description by mean ensemble activities is, in principle, possible. A couple of things, however, should be noted. First, the interaction between the activity of different ensembles is highly nonlinear. It involves three integrations over the past and one exponentiation; cf. (12) - (14). If we had started theoretical modeling with an approach based on mean activities, it would have been hard to find the correct interaction term. Second, L(x) defines an ensemble of equivalent neurons which is a subset of a given assembly al-'. A reduction of (12) to pure assembly activities is, in general, not possible. Finally, equivalent neurons that form an ensemble L(x) are not necessarily situated next to each other. In fact, they may be distributed all over the network; cf. Fig. 2. In this case a local ensemble average yields meaningless results. A theoretical model based on local ensemble averaging is useful only if we know that neighboring neurons have the same 'identity card'. activity a) ~': t 100 l 150 200 time [ms] b) 30 _ 20 ~ ??? .. .. .. .. .. .. .. .. .. .. .....?:..:.. :': '....:.. :.: .. :..:': ': -: .... \ . .. .... . . .. .. . .. .. . .. .. .. -. -... -. -. .. I ~ 10 ? ? ?- .- .- ..... - .... -. , 30 r:::::: 20 :J ?? :. - . . . . . . . . . . . .. . .. . . . .. .... .. .. .. .. .. .. .. .. . " ...... ...- .- .................... " .. " .. " .ill. I .- .- .- .-.. o???~????-??????? 100 150 200 time [ms] 5.2 rate [Hz] 0) .. ::> 10 :::I 0 0 100 200 Fig. 2 Stationary activity (incoherent firing). In this case a description by firing rates is possible. (a) Ensemble averaged activity A(x, t). (b) Spike raster of 30 neurons out of a network of 4000. (c) Time-averaged mean firing rate f. We have two different assemblies, one of them active (d tr 2 ms, f3 5). = = rate [Hz] RATE CODE Can the system of Eqs. (12) -(14) be transformed into a rate description? In general, this is not the case but if we assume that the ensemble activities are constant in 467 468 Gerstner and van Hemmen 1.0 .---~--~----~--~--------~--~---.----~--~----~--, O.B O.B 0.4 ~.x-2 ~.)(-3.5 0.2 0.0 o 100 200 400 300 500 BOO Zeit [rn5] Fig. 3 Stability of stationary states.The postsynaptic potential h~yn is plotted as a function of time. Every 100 ms the delay Ll tr has been increased by 0.5 ms. In the stationary state (Lltr = 1.5 ms and Ll tr = 3.5 ms), active neurons fire regularly with rate T;l = 1/5.5 ms. For a delay Ll tr > 3.5 ms, oscillations with period Wl = 27r /Tp build up rapidly. For intermediate delays 2 ~ Ll tr ~ 2.5 small-amplitude oscillations with twice the frequency occur. Higher harmonics are suppressed by noise (/3 = 20). = time, i.e., A(x, t) A(x), then an exact reduction is possible. The result fixed-point equation (Gerstner and van Hemmen 1992) q A(x) = f[Jo L f[h,yn] a q L Q~lIpost(X~) L pre(zll)p(z)A(z)] = {J.oo dsexp{- (15) z ~=lll=l where IS 1.' r- 1 [h,yn + ~"J(8')]ds'}} -1 (16) is the mean firing rate (9) of a typical neuron stimulated by a synaptic input h3yn. Constant activities correspond to incoherent, stationary firing and in this case a rate code is sufficient; cf. Fig. 2. Two points should, however, be kept in mind. First, a stationary state of incoherent firing is not necessarily stable. In fact, in a noise-free system the stationary state is always unstable and oscillations build up (Gerstner and van Hemmen 1993). In a system with noise, the stability depends on the noise level f3 and the delay Ll tr of axonal and synaptic transmission (Gerstner and van Hemmen 1994). This is shown in Fig. 3 where the delay Ll tr has been increased every 100 ms. The frequency of the small-amplitude oscillation around the stationary state is approximately equal to the mean firing rate (16) in the stationary state or higher harmonics thereof. A small-amplitude oscillation corresponds to partially synchronized activity. Note that for Ll tr = 4 ms a large-amplitude oscillation builds up. Here all neurons fire in nearly perfect synchrony; cf. Fig. 4. In the noiseless case f3 - 00, the oscillations period of such a collective or 'locked' oscillation can be found from the threshold condition T", = inf {s I0 = ~"J (8) + Jo~ f(nS)} . (17) In most cases the contribution with n = 1 is dominant which allows a simple graphical solution. The first intersection of the effective threshold () - TJ ref (s) with the How to Describe Neuronal Activity: Spikes. Rates. or Assemblies? weighted EPSP JOf( s) yields the oscillation period; cf. Fig 1. An analytical argument shows that locking is stable only if ;" dTooc > 0 (Gerstner and van Hemmen 1993). activity a) ~:lliHHHlUHHHj 100 1~ 200 time [ms] b) ~ ,., 20 ~ ! 10 ................. . I f S S S S SIS ) S S S S \ 'a \ \ ... ...... ... .... .. . .. . . . . . . . .. . . . . .. ?.\'\\'111".?.?'1111 \ \ \ \ \ , \ I 1 \ ???? , \ \ \ \ \ rate [Hz] 0) ] 10 t==:::;;= " 1 ' 1 1 1 \ \ 1 \ \ 1 " ' .. 1 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?? 100 150 time [ms] 200 0 0 100 200 rate [Hz] Fig. 4 Oscillatory activity (coherent firing). In this case a description by firing rates must be combined with a description by ensemble activities. (a) Ensemble averaged activity A(x, t). (b) Spike raster of 30 neurons out of a network of 4000. (c) Timeaveraged mean firing rate f. In this simulation, we have used Ll tr = 4 ms and f3 = 8. Second, even if the incoherent state is stable and attractive, there is always a transition time before the stationary state is assumed. During this time, a rate description is insufficient and we have to go back to the full dynamic equations (12) - (14). Similarly, if neurons are subject to a fast time-dependent external stimulus, a rate code fails . 5.3 SPIKE CODE A superficial inspection of Eqs. (12) - (14) gives the impression that all information about neuronal spiking has disappeared. This is, however, false. The term A(x, t-s) in (13) denotes all neurons with 'identity card' x that have fired at time t-s . The integration kernel in (13) is the conditional probability that one of these neurons fires again at time t. Keeping t - s fixed and varying t we get the distribution of inter-spike intervals for neurons in L(x). Thus information on both spikes and intervals is contained in (13) and (14). We can make use of this fact, if we consider network states where in every time step a different assembly is active. This leads to a spatia-temporal spike pattern as shown in Fig. 5. To transform a specific spike pattern into a stable state of the network we can use a Hebbian learning rule. However, in contrast to the standard rule, a synapse is strenthened only if pre- and postsynaptic activity occurs simultaneously within a time window of a few ms (Gerstner et al. 1993). Note that in this case, averaging over time or space spoils the information contained in the spike pattern. 5.4 CONCLUSIONS Equations . (12) - (14) show that in our large and fully connected network an ensemble code with an appropriately chosen ensemble is sufficient. If, however, the efficacies (11) and the connection scheme become more involved, the construction of appropriate ensembles becomes more and more difficult. Also, in a finite network we cannot make use of the law of large number in defining the activities (10). Thus, in general, we should always start with a network model of spiking neurons. 469 470 Gerstner and van Hemmen =: ] activity a) ~~C 100 150 200 time [ms] b) .. 30 o .. 20 0 g !5 ! .. . ? 10 0 .. ?0 rata [Hz] n-"~----' 20 ? ..... ? 10 ??? e. o '--_ _o-".'___---:-~---"'----~ 1()0 0) 30 200 0 ,-,-. (---''---'. 0- 100 200 Fig. 5 Spatio-temporal spike pattern. In this case, neither firing rates nor locally averaged activities contain enough information to describe the state of the network. (a) Ensemble averaged activity A(t). (b) Spike raster of 30 neurons out of a network of 4000. (c) Time-averaged mean firing rate f. rata [Hz] Acknowledgements: This work has been supported by the Deutsche Forschungsgemeinschaft (DFG) under grant No. He 1729/2-1. References Gerstner W (1990) Associative memory in a network of 'biological' neurons. In: Advances in Neural Information Processing Systems 3, edited by R.P. Lippmann, J .E. Moody, and D.S. Touretzky (Morgan Kaufmann, San Mateo, CA) pp 84-90 Gerstner Wand van Hemmen JL (1992a) Associative memory in a network of 'spiking' neurons. Network 3:139-164 Gerstner W, van Hemmen JL (1993) Coherence and incoherence in a globally coupled ensemble of pulse-emitting units. Phys. Rev. Lett. 71:312-315 Gerstner W, Ritz R, van Hemmen JL (1993b) Why spikes? Hebbian learning and retrieval of time-resolved excitation patterns. BioI. Cybern. 69:503-515 Gerstner Wand van Hemmen JL (1994) Coding and Information processing in neural systems. In: Models of neural networks, Vol. 2, edited by E. Domany, J .L. van Hemmen and K. Schulten (Springer-Verlag, Berlin, Heidelberg, New York) pp Iff Hebb DO (1949) The Organization of Behavior. Wiley, New York van Hemmen JL and Kiihn R(1991) Collective phenomena in neural networks. In: Models of neural networks, edited by E. Domany, J .L. van Hemmen and K. Schulten (Springer-Verlag, Berlin, Heidelberg, New York) pp Iff Hubel DH, Wiesel TN (1962) Receptive fields, binocular interaction and functional architecture in the cat's visual cortex. J. Neurophysiol. 28:215-243 MacKay DM, McCulloch WS (1952) The limiting information capacity of a neuronal link. Bull. of Mathm. Biophysics 14:127-135 Stein RB (1967) The information capacity of nerve cells using a frequency code. Biophys. J. 7:797-826
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Learning Temporal Dependencies in Connectionist Speech Recognition Steve Renals Mike Hocbberg Tony Robinson Cambridge University Engineering Department Cambridge CB2 IPZ, UK {sjr,mmh,ajr}@eng.cam.ac.uk Abstract Hybrid connectionistfHMM systems model time both using a Markov chain and through properties of a connectionist network. In this paper, we discuss the nature of the time dependence currently employed in our systems using recurrent networks (RNs) and feed-forward multi-layer perceptrons (MLPs). In particular, we introduce local recurrences into a MLP to produce an enhanced input representation. This is in the form of an adaptive gamma filter and incorporates an automatic approach for learning temporal dependencies. We have experimented on a speakerindependent phone recognition task using the TIMIT database. Results using the gamma filtered input representation have shown improvement over the baseline MLP system. Improvements have also been obtained through merging the baseline and gamma filter models. 1 INTRODUCTION The most common approach to large-vocabulary, talker-independent speech recognition has been statistical modelling with hidden Markov models (HMMs). The HMM has an explicit model for time specified by the Markov chain parameters. This temporal model is governed by the grammar and phonology of the language being modelled. The acoustic signal is modelled as a random process of the Markov chain and adjoining local temporal information is assumed to be independent. This assumption is certainly not the case and a great deal of research has addressed the problem of modelling acoustic context. Standard HMM techniques for handling the context dependencies of the signal have ex- 1051 1052 Renals, Hochberg, and Robinson plicitly modelled all the n-tuples of acoustic segments (e.g., context-dependent triphone models). Typically, these systems employ a great number of parameters and, subsequently, require massive amounts of training data and/or care in smoothing of the parameters. Where the context of the model is greater than two segments, an additional problem is that it is very likely that contexts found in testing data are never observed in the training data. Recently, we have developed state-of-the-art continuous speech recognition systems using hybrid connectionistlHMM methods (Robinson, 1994; Renals et aI., 1994). These hybrid connectionistlHMM systems model context at two levels (although these levels are not necessarily at distinct scales). As in the traditional HMM, a Markov process is used to specify the duration and lexical constraints on the model. The connectionist framework provides a conditional likelihood estimate of the local (in time) acoustic waveform given the Markov process. Acoustic context is handled by either expanding the network input to include multiple, adjacent input frames, or using recurrent connections in the network to provide some memory of the previous acoustic inputs. 2 DEPTH AND RESOLUTION Following Principe et al. (1993), we may characterise the time dependence displayed by a particular model in terms of depth and resolution. Loosely speaking, the depth tells us how far back in time a model is able to look l , and the resolution tells us how accurately the past to a given depth may be reconstructed. The baseline models that we currently use are very different in terms of these characteristics. Multi-layer Perceptron The feed-forward multi-layer perceptron (MLP) does not naturally model time, but simply maps an input to an output. Crude temporal dependence may be imparted into the system by using a delay-lined input (figure 1a); an extension of this approach is the time-delay neural network (TDNN). The MLP may be interpreted as acting as a FIR filter. A delay-lined input representation may be characterised as having low depth (limited by the delay line length) and high resolution (no smoothing). Recurrent Network The recurrent network (RN) models time dependencies of the acoustic signal via a fullyconnected, recurrent hidden layer (figure 1b). The RN has a potentially infinite depth (although in practice this is limited by available training algorithms) and low resolution, and may be regarded as analogous to an IIR filter. A small amount of future context is available to the RN, through a four frame target delay. Experiments Experiments on the DARPA Resource Management (RM) database have indicated that the tradeoff between depth and resolution is important. In Robinson et al. (1993), we compared different acoustic front ends using a MLP and a RN. Both networks used 68 1In the language of section 3, the depth may be expressed as the mean duration, relative to the target, of the last kernel in a filter that is convolved with the input. Learning Temporal Dependencies in Connectionist Speech Recognition p(q" I X~~), Vk = I , .... K u(t) y(t-4) x(t) Hidden Layer 512 - 1,024 hidden units Xn_c .,. xn_1 xn+1 ... xn+c (a) Multi-layer Perceptron (b) Recurrent Network Figure 1: Connectionist architectures used for speech recognition. outputs (corresponding to phones); the MLP used 1000 hidden units and the RN used 256 hidden units. Both architectures were trained using a training set containing 3990 sentences spoken by 109 speakers. Two different resolutions were used in the front-end computation of mel-frequency cepstral coefficients (MFCCs): one with a 20ms Hamming window and a lOms frame step (referred to as 20110), the other with a 32ms Hamming window and a 16ms frame step (referred to as 32116). A priori, we expected the higher resolution frame rate (20/10) to produce a higher performance recogniser because rapid speech events would be more accurately modelled. While this was the case for the MLP, the RN showed better results using the lower resolution front end (32/16) (see table 1). For the higher resolution front-end, both models require a greater depth (in frames) for the same context (in milliseconds). In these experiments the network architectures were constant so increasing the resolution of the front end results in a loss of depth. Net RN RN MLP MLP Front End 20/10 32116 20/10 32/16 feb89 6.1 5.9 5.7 6.6 Word Error Rate % oct89 feb91 sep92 12.1 7.6 7.4 6.3 6.1 11.5 7.1 7.6 12.0 15.0 7.8 8.5 Table 1: Comparison of acoustic front ends using a RN and a MLP for continuous speech recognition on the RM task, using a wordpair grammar of perplexity 60. The four test sets (feb89, oct89, feb91 and sep92, labelled according to their date of release by DARPA) each contain 300 sentences spoken by 10 new speakers. In the case of the MLP we were able to explicitly set the memory depth. Previous experiments had determined that a memory depth of 6 frames (together with a target delayed by 3 frames) was adequate for problems relating to this database. In the case of the RN, memory 1053 1054 Renals, Hochberg, and Robinson P(qlx) P(qlx) Output Layer Hidden Layer (1000 hidden units) Hidden Layer (1000 hidden units) x(I+2) x(l) (a) Gamma Filtered Input (b) Gamma Filter + Future Context Figure 2: Gamma memory applied to the network input. The simple gamma memory in (a) does not incorporate any information about the future, unless the target is delayed. In (b) there is an explicit delay line to incorporate some future context. depth is not determined directly, but results from the interaction between the network architecture (i.e., number of state units) and the training process (in this case, back-propagation through time). We hypothesise that the RN failed to make use of the higher resolution front end because it did not adapt to the required depth. 3 GAMMA MEMORY STRUCTURE The tradeoff between depth and resolution has led us to investigate other network architectures. The gamma filter, introduced by de Vries and Principe (1992) and Principe et al. (1993), is a memory structure designed to automatically determine the appropriate depth and resolution (figure 2). This locally recurrent architecture enables lowpass and bandpass filters to be learned from data (using back-propagation through time or real-time recurrent learning) with only a few additional parameters. We may regard the gamma memory as a generalisation of a delay line (Mozer, 1993) in which the kth tap at time t is obtained by convolving the input time series with a kernel function, g~(t), and where 11 parametrises the Kth order gamma filter, gg(t) = 8(t) l<k<K. This family of kernels is attractive, since it may be computed incrementally by dXk(t) ---;tt = -l1 xk(t) + I1Xk-l (t) . This is in contrast to some other kernels that have been proposed (e.g., Gaussian kernels proposed by Bodenhausen and Waibel (1991) in which the convolutions must be performed Learning Temporal Dependencies in Connectionist Speech Recognition explicitly). In the discrete time case the filter becomes: Xk(t) = (l - Il)Xk(t - 1) + IlXk-l(t - 1) This recursive filter is guaranteed to be stable when 0 < J1 < 2. In the experiments reported below we have replaced the input delay line of a MLP with a gamma memory structure, using one gamma filter for each input feature. This structure is referred to as a "focused gamma net" by de Vries and Principe (1992). Owing to the effects of anticipatory coarticulation, information about the future is as important as past context in speech recognition. A simple gamma filtered input (figure 2a) does not include any future context. There are various ways in which this may be remedied; ? Use the same architecture, but delay the target (similar to figure Ib); ? Explicitly specify future context by adding a delay line from the future (figure 2b); ? Use two gamma filters per feature: one forward, one backward in time. A drawback of the first approach is that the central frame corresponding to the delayed target will have been smoothed by the action of the gamma filter. The third approach necessitates two passes when either training or running the network. 4 SPEECH RECOGNITION EXPERIMENTS We have performed experiments using the standard TIMIT speech database. This database is divided into 462 training speakers and 168 test speakers. Each speaker utters eight sentences that are used in these experiments, giving a training set of 3696 sentences and a test set of 1344 sentences. We have used this database for a continuous phone recognition task: labelling each sentence using a sequence of symbols, drawn from the standard 61 element phone set. The acoustic data was preprocessed using a 12th order perceptual linear prediction (PLP) analysis to produce an energy coefficient plus 12 PLP cepstral coefficients for each frame of data. A 20ms Hamming window was used with a lOms frame step. The temporal derivatives of each of these features was also estimated (using a linear regression over ? 3 adjacent frames) giving a total of 26 features per frame. The networks we employed (table 2) were MLPs, with 1000 hidden units, 61 output units (one per phone) and a variety of input representations. The Markov process used single state phone models, a bigram phone grammar, and a Viterbi decoder was used for recognition. The feed-forward weights in each network were initialised with identical sets of small random values. The gamma filter coefficients were initialised to 1.0 (equivalent to a delay line). The feed-forward weights were trained using back-propagation and the gamma filter coefficients were trained in a forward in time back-propagation procedure equivalent to real-time recurrent learning. An important detail is that the gradient step size was substantially lower (by a factor of 10) for the gamma filter parameters compared with the feed-forward weights. This was necessary to prevent the gamma filter parameters from becoming unstable. The baseline system using a delay line (Base) corresponds to figure 1a, with ? 3 frames of context. The basic four-tap gamma filter G4 is illustrated in figure 2a (but using 1 fewer 1055 1056 Renals, Hochberg, and Robinson System ID Base G4 G7 G7i G4F3 G4F3i Description Baseline delay line, ? 3 frames of context Gamma filter, 4 taps Gamma filter, 7 taps, delayed target G7 initialised using weights from Base Gamma filter, 4 taps, 3 frames future context G4F3 initialised using weights from Base Table 2: Input representations used in the experiments. Note that G7i and G4F3i were initialised using a partially trained weight matrix (after six epochs) from Base. tap than the picture) and G7 is a 7 frame gamma filter with the target delayed for 3 frames, thus providing some future context (but at the expense of smoothing the "centre" frame). Future context is explicitly incorporated in G4F3, in which the three adjacent future frames are included (similar to figure 2b). Systems G7i and G4F3i were both initialised using a partially trained weight matrix for the delay line system, Base. This was equivalent to fixing the value of the gamma filter coefficients to a constant (1.0) during the first six epochs of training and only adapting the feed-forward weights, before allowing the gamma filter coefficients to adapt. The results of using these systems on the TIM IT phone recognition task are given in table 3. Table 4 contains the results of some model merging experiments, in which the output probability estimates of 2 or more networks were averaged to produce a merged estimate. System ID Base G4 G7 G7i G4F3 G4F3i Depth 4.0 8.5 11.7 5.8 9.6 4.9 Correct% 67.6 65.8 65.5 67.3 67.8 68.0 Insert.% 4.1 4.1 4.1 3.8 3.8 3.9 Subst.% 24.7 25.9 26.0 24.5 24.2 24.2 Delet.% 7.7 8.3 8.5 8.2 8.0 7.8 Error % 36.5 38.2 38.6 36.5 36.0 35.9 Table 3: TIMIT phone recognition results for the systems defined in table 2. The Depth value is estimated as the ratio of filter order to average filter parameter KIJ.!. Future context is ignored in the estimate of depth, and the estimates for G7 and G7i are adjusted to account for the delayed target. System ID G4F3+Base G4F3 +G4F3i G7 + Base G7+G7i Correct% 68.1 68.2 67.0 67.4 Insert.% 3.2 3.2 3.2 3.6 Subst.% 23.7 23.5 24.4 24.4 Delet.% 8.2 8.3 8.6 8.2 Error% 35.1 35.0 36.2 36.2 Table 4: Model merging on the TIMIT phone recognition task. Learning Temporal Dependencies in Connectionist Speech Recognition O.B -- 0.6 PLP Coefficients Derivatives 0.4 0.2 E Cl C2 I C3 C4 C5 I C6 C7 CB C9 Cl0 Cll C12 Feature Figure 3: Gamma filter coefficients for G4F3. The coefficients correspond to energy (E) and 12 PLP cepstral coefficients (C1-C12) and their temporal derivatives. 5 DISCUSSION Several comments may be made about the results in section 4. As can be seen in table 3, replacing a delay line with an adaptive gamma filter can lead to an improvement in performance. Knowledge of future context is important. This is shown by G4, which had no future context or delayed target information, and had poorer performance than the baseline. However, incorporating future context using a delay line (G4F3) gives better performance than a pure gamma filter representation with a delayed target (G7). Training the locally recurrent gamma filter coefficients is not trivial. Fixing the gamma filter coefficients to 1.0 (delay line) whilst adapting the feed-forward weights during the first part of training is beneficial. This is demonstrated by comparing the performance of G7 with G7i and G4F3 with G4F3i. Finally, table 4 shows that model merging generally leads to improved recognition performance relative to the component models. This also indicates that the delay line and gamma filter input representations are somewhat complementary. Figure 3 displays the trained gamma filter coefficients for G4F3. There are several points to make about the learned temporal dependencies. ? The derivative parameters are smaller compared with the static PLP parameters. This indicates the derivative filters have greater depth and lower resolution compared with the static PLP filters. ? If a gamma filter is regarded as a lowpass IIR filter, then lower filter coefficients indicate a greater degree of smoothing. Better estimated coefficients (e.g., static PLP coefficients Cl and C2) give rise to gamma filters with less smoothing. ? The training schedule has a significant effect on filter coefficients. The depth estimates of G4F3 and G4F3i in table 3 demonstrate that very different sets of filters were arrived at for the same architecture with identical initial parameters, but with different training schedules. 1057 1058 Renals, Hochberg, and Robinson We are investigating the possibility of using gamma filters to model speaker characteristics. Preliminary experiments in which the gamma filters of speaker independent networks were adapted to a new speaker have indicated that the gamma filter coefficients are speaker dependent. This is an attractive approach to speaker adaptation, since very few parameters (26 in our case) need be adapted to a new speaker. Gamma filtering is a simple, well-motivated approach to modelling temporal dependencies for speech recognition and other problems. It adds minimal complexity to the system (in our case a parameter increase of 0.01 %), and these initial experiments have shown an improvement in phone recognition performance on the TIM IT database. A further increase in performance resulted from a model merging process. We note that gamma filtering and model merging may be regarded as two sides of the same coin: gamma filtering smooths the input acoustic features, while model merging smooths the output probability estimates. Acknowledgement This work was supported by ESPRIT BRA 6487, WERNICKE. SR was supported by a SERC postdoctoral fellowship and a travel grant from the NIPS foundation. TR was supported by a SERC advanced fellowship. References Bodenhausen, D ., & Waibel, A. (1991). The Tempo 2 algorithm: Adjusting time delays by supervised learning. In Lippmann, R. P., Moody, J. E., & Touretzky, D. S. (Eds.), Advances in Neural Information Processing Systems, Vol. 3, pp. 155-161. Morgan Kaufmann, San Mateo CA. de Vries, B., & Principe, J. C. (1992). The gamma model-a new neural model for temporal processing. Neural Networks, 5,565-576. Mozer, M. C. (1993). Neural net architectures for temporal sequence processing. In Weigend, A. S., & Gershenfeld, N. (Eds.), Predicting the future and understanding the past. Addison-Wesley, Redwood City CA. Principe, J. C., de Vries, B., & de Oliveira, P. G. (1993). The gamma filter-a new class of adaptive IIR filters with restricted feedback. IEEE Transactions on Signal Processing, 41, 649-656. Renals, S., Morgan, N., Bourlard, H., Cohen, M., & Franco, H. (1994). Connectionist probability estimators in HMM speech recognition. IEEE Transactions on Speech and Audio Processing. In press. Robinson, A. J., Almeida, L., Boite, J.-M., Bourlard, H., Fallside, F., Hochberg, M., Kershaw, D., Kohn, P., Konig, Y., Morgan, N., Neto, J. P., Renals, S., Saerens, M., & Wooters, C. (1993). A neural network based, speaker independent, large vocabulary, continuous speech recognition system: the WERNICKE project. In Proceedings European Conference on Speech Communication and Technology, pp. 1941-1944 Berlin. Robinson, T. (1994). The application of recurrent nets to phone probability estimation. IEEE Transactions on Neural Networks. In press.
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Emergence of Global Structure from Local Associations Thea B. Ghiselli-Crippa Paul W. Munro Department of Infonnation Science University of Pittsburgh Pittsburgh PA 15260 Department of Infonnation Science University of Pittsburgh Pittsburgh PA 15260 ABSTRACT A variant of the encoder architecture, where units at the input and output layers represent nodes on a graph. is applied to the task of mapping locations to sets of neighboring locations. The degree to which the resuIting internal (i.e. hidden unit) representations reflect global properties of the environment depends upon several parameters of the learning procedure. Architectural bottlenecks. noise. and incremental learning of landmarks are shown to be important factors in maintaining topographic relationships at a global scale. 1 INTRODUCTION The acquisition of spatial knowledge by exploration of an environment has been the subject of several recent experimental studies. investigating such phenomena as the relationship between distance estimation and priming (e.g. McNamara et al .? 1989) and the influence of route infonnation (McNamara et al., 1984). Clayton and Habibi (1991) have gathered data suggesting that temporal contiguity during exploration is an important factor in detennining associations between spatially distinct sites. This data supports the notion that spatial associations are built by a temporal process that is active during exploration and by extension supports Hebb's (1949) neurophysiological postulate that temporal associations underlie mechanisms of synaptic learning. Local spatial infonnation acquired during the exploration process is continuously integrated into a global representation of the environment (cognitive map). which is typically arrived at by also considering global constraints. such as low dimensionality. not explicitly represented in the local relationships. 1101 1102 Ghiselli-Crippa and Munro 2 NETWORK ARCHITECTURE AND TRAINING The goal of this network design is to reveal structure among the internal representations that emerges solely from integration of local spatial associations; in other words. to show how a network trained to learn only local spatial associations characteristic of an environment can develop internal representations which capture global spatial properties. A variant of the encoder architecture (Ackley et al .? 1985) is used to associate each node on a 2D graph with the set of its neighboring nodes. as defined by the arcs in the graph. This 2D neighborhood mapping task is similar to the I-D task explored by Wiles (1993) using an N-2-N architecture. which can be characterized in terms of a graph environment as a circular chain with broad neighborhoods. In the neighborhood mapping experiments described in the following, the graph nodes are visited at random: at each iteration, a training pair (node-neighborhood) is selected at random from the training set. As in the standard encoder task, the input patterns are all or-' thogonal. so that there is no structure in the input domain that the network could exploit in constructing the internal representations; the only information about the structure of the environment comes from the local associations that the network is shown during training. 2.1 N?H?N NETWORKS The neighborhood mapping task was first studied using a strictly layered feed-forward NH-N architecture, where N is the number of input and output units. corresponding to the number of nodes in the environment, and H is the number of units in the single hidden layer. Experiments were done using square grid environments with wrap-around (toroidal) and without wrap-around (bounded) at the edges. The resulting hidden unit representations reflect global properties of the environment to the extent that distances between them correlate with distances between corresponding points on the grid. These two distance measures are plotted against one another in Figure 1 for toroidal and bounded environments. 5x5 Grid 5x5 Grid 4 Hidden Units U5?, . - - - - - - - - - - - : " ' 1 R"2 = 0.499 1.4 e:: _o e:: 1.2 e:: ? :Ie:: ~ lIS 06 i?1.0 .,0 !i 0.6 i"~ a:c g.~ a:c 1.5 o iii 1.0 .!! ?0 4 Hidden Units 2.0-,.----------......., 0.4 0.2 O.ol---~----"T"""---i 3 o 1 2 Grid Distance With wrap-around 0.5 : ----r--__-...-..-4 O.O ......_,......._ _ 234 o 5 Grid Distance No wrap-around Figure 1: Scatterplots of Distances between Hidden Unit Representations vs. Distances between Corresponding Locations in the Grid Environment. Emergence of Global Structure from Local Associations 2.2 N?2?H?N Networks A hidden layer with just two units forces representations into a 2-D space. which matches the dimensionality of the environment. Under this constraint. the image of the environment in the 2-D space may reflect the topological structure of the environment. This conjecture leads to a further conjecture that the 2-D representations will also reveal global relationships of the environment. Since the neighborhoods in a 2-D representation are not linearly separable regions. another layer (H-Iayer) is introduced between the two-unit layer and the output (see Figure 2). Thus. the network has a strictly layered feed-forward N-2-H-N architecture. where the N units at the input and output layers correspond to the N nodes in the environment. two units make up the topographic layer. and H is the number of units chosen for the new layer (H is estimated according to the complexity of the graph). Responses for the hidden units (in both the T- and H-layers) are computed using the hyperbolic tangent (which ranges from -1 to +1). while the standard sigmoid (0 to +1) is used for the output units. to promote orthogonality between representations (Munro. 1989). Instead of the squared error. the cross entropy function (Hinton. 1987) is used to avoid problems with low derivatives observed in early versions of the network. ~ooe@o~oo .~ 1.::; .::'.,. : ............... <: .? ??.? ????.:.:.??. :' <. o 3 :>/<::>. : .???.1.??.?.?? ??.??.?.:?.?? ?. ?.:.???..?:.??. :?.?. i: ?.i.\.: . j) ?!..??. ' .. :.'/> .'> < ' 2 f 5 00 6 7 8 oooeooooo Figure 2: A 3x3 Environment and the Corresponding Network. When input unit 3 is activated, the network responds by activating the same unit and all its neighbors. 3 RESULTS 3.1 T?UNIT RESPONSES Neighborhood mapping experiments were done using bounded square grid environments and N-2-H-N networks. After training, the topographic unit activities corresponding to each of the N possible inputs are plotted, with connecting lines representing the arcs from 1103 1104 Ghiselli-Crippa and Munro the environment. Each axis in Figure 3 represents the activity of one of the T-units. These maps can be readily examined to study the relationship between their global structure and the structure of the environment. The receptive fields of the T-units give an alternative representation of the same data: the response of each T-unit to all N inputs is represented by N circles arranged in the same configuration as the nodes in the grid environment. Circle size is proportional to the absolute value of the unit activity; filled circles indicate negative values, open circles indicate positive values. The receptive field represents the T-unit's sensitivity with respect to the environment. ??? ? ? 0 000 ? ?0 1:8 ??? ~c8 ... 26~ oCXX) . 0 00 ???? ????o leo ? 00 . ?8 .?0 Figure 3: Representations at the Topographic Layer. Activity plots and receptive fields for two 3x3 grids (left and middle) and a 4x4 grid(right). The two 3x3 cases shown in Figure 3 illustrate alternative solutions that are each locally consistent, but have different global structure. In the first case, it is evident how the first unit is sensitive to changes in the vertical location of the grid nodes, while the second unit is sensitive to their horizontal location. The axes are essentially rotated 45 degrees in the second case. Except for this rotation of the reference axes, both representations captured the global structure of the 3x3 environment. 3.2 NOISE IN THE HIDDEN UNITS While networks tended to fonn maps in the T -layer that reflect the global structure of the environment, in some cases the maps showed correspondences that were less obvious: i.e., the grid lines crossed, even though the network converged. A few techniques have proven valuable for promoting global correspondence between the topographic representations and the environment, including Judd and Munro's (1993) introduction of noise as pressure to separate representations. The noise is implemented as a small probability for Emergence of Global Structure from Local Associations reversing the sign of individual H-unit outputs. As reported in a previous study (Ghiselli-Crippa and Munro, 1994), the presence of noise causes the network to develop topographic representations which are more separated, and therefore more robust, so that the correct output units can be activated even if one or more of the H-units provides an incorrect output. From another point of view, the noise can be seen as causing the network to behave as if it had an effective number of hidden units which is smaller than the given number H. The introduction of noise as a means to promote robust topographic representations can be appreciated by examining Figure 4, which illustrates the representations of a 5x5 grid developed by a 25-2-20-25 network trained without noise (left) and with noise (middle) (the network was initialized with the same set of small random weights in all cases). Note that the representations developed by the network subject to noise are more separated and exhibit the same global structure as the environment. To avoid convergence problems observed with the use of noise throughout the whole training process, the noise can be introduced at the beginning of training and then gradually reduced over time. A similar technique involves the use of low-level noise injected in the T-Iayer to directly promote the formation of well-separated representations. Either Gaussian or uniform noise directly added to the T-unit outputs gives comparable results. The use of noise in either hidden layer has a beneficial influence on the formation of globally consistent representations. However. since the noise in the H-units exerts only an indirect influence on the T -unit representations, the choice of its actual value seems to be less crucial than in the case where the noise is directly applied at the T-Iayer. The drawback for the use of noise is an increase in the number of iterations required by the network to converge, that scales up with the magnitude and duration of the noise. Figure 4: Representations at the Topographic Layer. Training with no noise (left) and with noise in the hidden units (middle); training using landmarks (right). 3.3 LANDMARK LEARNING Another effective method involves the organization of training in 2 separate phases, to model the acquisition of landmark information followed by the development of route and/or survey knowledge (Hart and Moore, 1973; Siegel and White, 1975). This method is implemented by manipulating the training set during learning, using coarse spatial resolution at the outset and introducing interstitial features as learning progresses to the second phase. The first phase involves training the network only on a subset of the possible 1105 1106 Ghiselli-Crippa and Munro N patterns (landmarks). Once the landmarks have been learned. the remaining patterns are added to the training set. In the second phase. training proceeds as usual with the full set of training patterns; the only restriction is applied to the landmark points. whose topographical representations are not allowed to change (the corresponding weights between input units and T-units are frozen). thus modeling the use of landmarks as stable reference points when learning the details of a new environment. The right pane of Figure 4 illustrates the representations developed for a 5x5 grid using landmark training; the same 25-220-25 network mentioned above was trained in 2 phases. first on a subset of 9 patterns (landmarks) and then on the full set of 25 patterns (the landmarks are indicated as white circles in the activity plot). 3.4 NOISE IN LANDMARK LEARNING The techniques described above (noise and landmark learning) can be combined together to better promote the emergence of well-structured representation spaces. In particular, noise can be used during the first phase of landmark learning to encourage a robust representation of the landmarks: Figure 5 illustrates the representations obtained for a 5x5 grid using landmark training with two different levels of noise in the H-units during the first phase. The effect of noise is evident when comparing the 4 comer landmarks in the right pane of Figure 4 (landmark learning with no noise) with those in Figure 5. With increasing levels of noise. the T-unit activities corresponding to the 4 comer landmarks approach the asymptotic values of +1 and -1; the activity plots illustrate this effect by showing how the comer landmark representations move toward the comers of T-space, reaching a configuration which provides more resistance to noise. During the second phase of training, the landmarks function as reference points for the additional features of the environment and their positioning in the representational space therefore becomes very important. A well-fonned, robust representation of the landmarks at the end of the first phase is crucial for the fonnation of a map in T-space that reflects global structure, and the use of noise can help promote this. Figure 5: Representations at the Topographic Layer. Landmark training using noise in phase 1: low noise level (left). high noise level (right). 4 DISCUSSION Large scale constraints intrinsic to natural environments. such as low dimensionality, are not necessarily reflected in local neighborhood relations, but they constitute infonnation which is essential to the successful development of useful representations of the environ- Emergence of Global Structure from Local Associations ment. In our model, some of the constraints imposed on the network architecture effectively reduce the dimensionality of the representational space. Constraints have been introduced several ways: bottlenecks, noise, and landmark learning; in all cases, these constraints have had constructive influences on the emergence of globally consistent representation spaces. The approach described presents an alternative to Kohonen's (1982) scheme for capturing topography; here, topographic relations emerge in the representational space, rather than in the weights between directly connected units. The experiments described thus far have focused on how global spatial structure can emerge from the integration of local associations and how it is affected by the introduction of global constraints. As mentioned in the introduction, one additional factor influencing the process of acquisition of spatial knowledge needs to be considered: temporal contiguity during exploration. that is. how temporal associations of spatially adjacent locations can influence the representation of the environment. For example, a random type of exploration ("wandering") can be considered. where the next node to be visited is selected at random from the neighbors of the current node. Preliminary studies indicate that such temporal contiguity during training reSUlts in the fonnation of hidden unit representations with global properties qualitatively similar to those reported here. Alternatively, more directed exploration methods can be studied. with a systematic pattern guiding the choice of the next node to be visited. The main purpose of these studies will be to show how different exploration strategies can affect the formation and the characteristics of cognitive maps of the environment. Higher order effects of temporal and spatial contiguity can also be considered. However, in order to capture regularities in the training process that span several exploration steps. simple feed-forward networks may no longer be sufficient; partially recurrent networks (Elman, 1990) are a likely candidate for the study of such processes. Acknowledgements We wish to thank Stephen Hirtle, whose expertise in the area of spatial cognition greatly benefited our research. We are also grateful for the insightful comments of Janet Wiles. References D. H. Ackley. G. E. Hinton, and T. J. Sejnowski (1985) "A learning algorithm for Boltzmann machines," Cognitive Science, vol. 9. pp. 147-169. K. Clayton and A. Habibi (1991) "The contribution of temporal contiguity to the spatial priming effect," Journal of Experimental Psychology: Learning, Memory, and Cognition. vol. 17, pp. 263-27l. J. L. Elman (1990) "Finding structure in time," Cognitive Science, vol. 14, pp. 179211. T. B. Ghiselli-Crippa and P. W. Munro (1994) "Learning global spatial structures from local associations," in M. C Mozer, P. Smolensky, D. S. Touretzky, J. L. Elman, and A. S. Weigend (Eds.), Proceedings of the 1993 Connectionist Models Summer School, Hillsdale, NJ: Erlbaum. 1107 1108 Ghiselli-Crippa and Munro R. A. Hart and G. T. Moore (1973) "The development of spatial cognition: A review," in R. M. Downs and Stea (Eds.), Image and Environment, Chicago, IL: Aldine. D. O. Hebb (1949) The Organization of Behavior, New York, NY: Wiley. G. E. Hinton (1987) "Connectionist learning procedures," Technical Report CMU-CS87-115, version 2, Pittsburgh, PA: Carnegie-Mellon University, Computer Science Department. S. Judd and P. W. Munro (1993) "Nets with unreliable hidden nodes learn error-correcting codes," in C. L. Giles, S. J. Hanson, and J. D. Cowan, Advances in Neural Information Processing Systems 5, San Mateo, CA: Morgan Kaufmann. T. Kohonen (1982) "Self-organized fonnation of topological correct feature maps," Biological Cybernetics, vol. 43, pp. 59-69. T. P. McNamara, J. K. Hardy, and S. C. Hirtle (1989) "Subjective hierarchies in spatial memory," Journal of Experimental Psychology: Learning, Memory, and Cognition, vol. 15, pp. 211-227. T. P. McNamara, R. Ratcliff, and G. McKoon (1984) "The mental representation of knowledge acquired from maps," Journal of Experimental Psychology: Learning, Memory, and Cognition, vol. 10, pp. 723-732. P. W. Munro (1989) "Conjectures on representations in backpropagation networks," Technical Report TR-89-035, Berkeley, CA: International Computer Science Institute. A. W. Siegel and S. H. White (1975) "The development of spatial representations of large-scale environments," in H. W. Reese (Ed.), Advances in Child Development and Behavior, New York, NY: Academic Press. J. Wiles (1993) "Representation of variables and their values in neural networks," in Proceedings of the Fifteenth Annual Conference of the Cognitive Science Society, Hillsdale, NJ: Erlbaum.
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Classification of Multi-Spectral Pixels by the Binary Diamond Neural Network Yehuda Salu Department of Physics and CSTEA, Howard University, Washington, DC 20059 Abstract A new neural network, the Binary Diamond, is presented and its use as a classifier is demonstrated and evaluated. The network is of the feed-forward type. It learns from examples in the 'one shot' mode, and recruits new neurons as needed. It was tested on the problem of pixel classification, and performed well. Possible applications of the network in associative memories are outlined. 1 INTRODUCTION: CLASSIFICATION BY CLUES Classification is a process by which an item is assigned to a class. Classification is widely used in the animal kingdom. Identifying an item as food is classification. Assigning words to objects, actions, feelings, and situations is classification. The purpose of this work is to introduce a new neural network, the Binary Diamond, which can be used as a general purpose classification tool. The design and operational mode of the Binary Diamond are influenced by observations of the underlying mechanisms that take place in human classification processes. An item to be classified consists of basic features. Any arbitrary combination of basic features will be called a clue. Generally, an item will consist of many clues. Clues are related not only to the items which contain them, but also to the classes. Each class, that resides in the memory, has a list of clues which are associated with it. These clues 1143 1144 Salu are the basic building blocks of the classification rules. A classification rule for a class X would have the following general form: Classification rule: If an item contains clue Xl, or clue X2, ... , or clue X n ? and if it does not contain clue Xl. nor clue X2, ...? nor clue X m ? it is classified as belonging to class X. Clues Xl ?...,X n are the excitatory clues of class X, and clues Xl, ... ,xmare the inhibitory clues of class X. When classifying an item, we frrst identify the clues that it contains. We then match these clues with the classification rules, and fmd the class of the item. It may happen that a certain item satisfies classification rules of different classes. Some of the clues match one class, while others match another. In such cases, a second set of rules, disambiguation rules, are employed. These rules select one class out of those tagged by the classification rules. The disambiguation rules rely on a hierarchy that exists among the clues. a hierarchy that may vary from one classification scheme to another. For example, in a certain hierarchy clue A is considered more reliable than clue B, if it contains more features. In a different hierarchy scheme, the most frequent clue is considered the most reliable. In the disambiguation process, the most reliable clue, out of those that has actively contributed to the classification. is identified and serves as the pointer to the selected class. This classification approach will be called classification by clues (CRC). The classification rules may be 'loaded' into our memory in two ways. FIrst, the precise rules may be spelled out and recorded (e.g. 'A red light means stop'). Second, we may learn the classification rules from examples presented to us, utilizing innate common sense learning mechanism. These mechanisms enable us to deduce from the examples presented to us, what clues should serve in the classification rules of the adequate classes, and what clues have no specificity, and should be ignored. For example, by pointing to a red balloon and saying red, an infant may associate each of the stimuli red and balloon as pointers to the word red. After presenting a red car, and saying red, and presenting a green balloon and saying green. the infant has enough information to deduce that the stimulus red is associated with the word red, and the stimulus balloon should not be classified as red. 2 THE BINARY DIAMOND 2.1 STRUCTURE In order to perform a CRe in a systematic way, all the clues that are present in the item to be classified have to be identified frrst, and then compared against the classification rules. The Binary Diamond enables carrying these tasks fast and Classification of Multi-Spectral Pixels by the Binary Diamond Neural Network effectively. Assume that there are N different basic features in the environment. Each feature can be assigned to a certain bit in an N dimensional binary vector. An item will be represented by turning-on (from the default value of to the value of 1) all the bits that correspond to basic features, that are present in the item. The total number ? of possible clues in this environment is at most 2N. One way to represent these possible clues is by a lattice, in which each possible clue is represented by one node. The Binary Diamond is a lattice whose nodes represent clues. It is arranged in layers. The frrst (bottom) layer has N nodes that represent the basic features in the environment. The second layer has N'(N-l)/2 nodes that represent clues consisting of 2 basic features. The K'th layer has nodes that represent clues, which consist of K basic features. Nodes from neighboring layers which represent clues that differ by exactly one basic feature are connected by a line. Figure 1 is a diagram of the Binary Diamond for N =4. Figure 1: The Binary Diamond of order 4. The numbers inside the nodes are the binary codes for the feature combination that the node represents, e.g 1 < = > (0,0,0,1),5< = >(0,1,0,1),14 < = > (1,1,1,0), 15 < => (1,1,1,1). 2.2 THE BINARY DIAMOND NEURAL NElWORK The Binary Diamond can be turned into a feed-forward neural network by treating each node as a neuron, and each line as a synapse leading from a neuron in a lower layer (k) to a neuron in the higher layer (k + 1). All synaptic weights are set to 0.6, and 1145 1146 Salu all thresholds are set to 1, in a standard Pitts McCulloch neuron. The output of a flring neuron is 1. An item is entered into the network by turning-on the neurons in the flrst layer, that represent the basic features constituting this item. Signals propagate forward one layer at a time tick, and neurons stay active for one time tick. It is easy to verify that all the clues that are part of the input item, and only such clues, will be turned on as the signals propagate in the network. In other words, the network identifies all the clues in the item to be classified. An item consisting of M basic features will activate neurons in the fIrst M layers. The activated neuron in the M'th layer is the representation of the entire item. As an example, consider the input item with feature vector (0,1,1,1), using the notations of figure 1. It is entered by activating neurons 1, 2, and 4 in the first layer. The signals will propagate to neurons 3, 5, 6, and 7, which represent all the clues that the input item contains. 2.3 INCORPORATING CLASS INFORMATION Each neuron in the Binary Diamond represent a possible clue in the environment spun by N basic features. When an item is entered in the frrst layer, all the clues that it contains activate their representing neurons in the upper layers. This is the first step in the classification process. Next, these clues have to point to the appropriate class, based upon the classification rule. The possible classes are represented by neurons outside of the Binary Diamond. Let x denote the neuron, outside the Binary Diamond, that represents class X. An excitatory clue Xi (from the Binary Diamond) will synapse onto x with a synaptic weight of 1. An inhibitory clue Xl (in the Binary Diamond) will synapse onto x with an inhibitory weight of -z, where z is a very large number (larger than the maximum number of clues that may point to a class). This arrangement ensures that the classification rule formulated above is carried out. In cases of ambiguity, where a number of classes have been activated in the process, the class that was activated by the clue in the highest layer will prevail. This clue has the largest number of features, as compared with the other clues that actively participated in the classification. 2.4 GROWING A BINARY DIAMOND A possible limitation on the processes described in the two previous sections is that, if there are many basic features in the environment, the 2N nodes of the Binary Diamond may be too much to handle. However, in practical situations, not all the clues really occur, and there is no need to actually represent all of them by nodes. One way of taking advantage of this simplifying situation is to grow the network one event (a training item and its classification) at a time. At the beginning, there is just the frrst layer with N neurons, that represent the N basic features. Each event adds its neurons to the network, in the exact positions that they would occupy in the regular Classification of Multi-Spectral Pixels by the Binary Diamond Neural Network Binary Diamond. A clue that has already been represented in previous events, is not duplicated. After the new clues of the event have been added to the network, the information about the relationships between clues and classes is updated. This is done for all the clues that are contained in the new event. The new neurons send synapses to the neuron that represent the class of the current event. Neurons of the current event, that took part in previous events, are checked for consistency. If they point to other classes, their synapses are cut-off. They have just lost their specificity. It should be noted that there is no need to present an event more than one time for it to be correctly recorded (' one shot learning'). A new event will never adversely interfere with previously recorded information. Neither the order of presenting the events, nor repetitions in presenting them will affect the final structure of the network. Figure 2 illustrates how a Binary Diamond is grown. It encodes the information contained in two events, each having three basic features, in an environment that has four basic features. The first event belongs to class A, and the second to class B. (0,1,1,1) -> A @ Figure 2. Growing a Binary Diamond. Left: All the feature combinations of the threefeature item (0,1,1,1) are represented by a 3'rd order Binary Diamond, which is grown from the basic features represented by neurons 1, 2, and 4. All these combinations, marked by a wavy background, are, for the time being, specific clues to class A. Right: The three-feature item, (1,1,1,0) is added, as another 3'rd order Binary Diamond. At this point, only neurons l,3~,and 7 represent specific clues to class A. Neurons 8,10,12, and 14 represent specific clues to class B, and neurons 2,4, and 6 represent non-specific clues. 3 CLASSIFICATION OF MULTI-SPECfRAL PIXELS 3.1 THE PROBLEM Spectral information of land pixels, which is collected by satellites, is used in preparation of land cover maps and similar applications. Depending on the satellite and its instrumentation, the spectral information consists of the intensities of several 1147 1148 Salu light bands, usually in the visible and infra-red ranges, which have been reflected from the land pixels. One method of classification of such pixels relies on independent knowledge of the land cover of some pixels in the scene. These classified pixels serve as the training set for a classification algorithm. Once the algorithm is trained, it classifies the rest of the pixels. The actual problem described here involves testing the Binary Diamond in a pixel classification problem. The tests were done on four scenes from the vicinity of Washington DC, each consisting of approximately 22,000 pixels. The spectral information of each pixel consisted of intensities of four spectral bands, as collected by the Thematic Mapper of the Landsat 4 satellite. Ground covers of these scenes were determined independently by ground and aerial surveys. There were 17 classes of ground covers. The following list gives the number of pixels per class in one of the scenes. The distributions in the other scenes were similar. 1) water (28). 2) miscellaneous crops (299). 3) corn-standing (0). 4) com-stubble (349). 5) shrub-land (515). 6) grass/ pasture (3,184). 7) soybeans (125). 8) baresoil, clear land (535). 9) hardwood, canopy> 50% (10,169). 10) hardwood, canopy < 50% (945). 11) conifer forest (2,051). 12) mixed wood forest (616). 13) asphalt (390). 14) single family housing (2,220). 15) multiple family housing (26). 16) industrial/ commercial (118). 17) bare soil-plowed field (382). Total 21,952. 3.2 METHODS Approximately 10% of the pixels in each of the four scenes were randomly selected to become a training set. Four Binary Diamond networks were grown, based on these four training sets. In the evaluation phase, each network classified each scene. The intensity of the light in each band was discretized into 64 intervals. Each interval was considered as a basic feature. So, each pixel was characterized by four basic features (one for each band), out of 4x64=256 possible basic features. The fust layer of the Binary Diamond consisted of 256 neurons, representing these basic features. Pixels of the training set were treated like events. They were presented sequentially, one at a time, for one time, and the neurons that represent their clues were added to the network, as explained in section 2.4. After the training phase, the rest of the pixels were presented, and the network classified them. The results of this classification were kept for comparisons with the observed ground cover values. The same training sets were used to train two other classification algorithms; a backpropagation neural network, and a nearest neighbor classifier. The backpropagation network had four neurons in the input layer, each representing a spectral band. It had seventeen neurons in the output layer, each representing a class, and a hidden layer of ten neurons. The nearest neighbor classifier used the pixels of the training set as models. The Euclidean distance between the feature vector of a pixel to Classification of Multi-Spectral Pixels by the Binary Diamond Neural Network be classified and each model pixel was computed. The pixel was classified according to the class of its closest model. 3.3 RESULTS In auto-classification, the pixels of a scene are classified by an algorithm that was trained using pixels from the same scene. In cross-classification, the classification of a scene is done by an algorithm that was trained by pixels of another scene. It was found that in both auto-classification and cross-classification, the results depend on the consistency of the training set. Boundary pixels, which form the boundary (on the ground) between two classes, may contain a combination of two ground cover classes. If boundary pixels were excluded from the scene, the results of all the classification methods improved significantly. Table 1 compares the overall performance of the three classification methods in auto-classification and cross-classification, when only boundary pixels were considered. Similar ordering of the classification methods was obtained when all the pixels were considered. 1 1 2 3 4 2 3 4 83 58 71 74 41 78 50 44 49 48 75 52 54 44 57 76 1 2 3 4 1 83 27 43 52 2 3 4 41 46 61 73 28 17 38 62 35 36 39 70 1 1 2 3 4 73 25 33 48 2 3 4 60 33 64 55 38 26 38 52 37 43 42 60 Binary Diamond Nearest Neighbor Back-Propagation Table 1: The percent of correctly classified pixels for the implementations of the three methods, for non-boundary pixels only, as tested on the four maps. Column's index is the training map, rows index is the testing map. Table 2 compares the performances of the three methods class by class, as obtained in the classification of the flfst scene. Similar results were obtained for the other scenes. 1= BD BDp bNN BP 1 2 48 10 57 8 63 54 68 5 3 0 0 0 0 4 33 5 6 7 8 9 7 44 10 53 88 48 10 14 10 58 87 72 47 19 52 77 60 68 0 1 11 66 80 10 37 37 63 74 11 U 34 35 5 6 48 60 11 1 14 15 16 32 69 33 34 30 69 42 25 70 43 64 62 26 45 54 52 13 17 41 27 72 27 Table 2: The percent of pixels from category I that have been classified as category I. Auto-classification of scene 1. All the pixels are included. BD; results of Binary Diamond where the feature vectors are in the standard Cartesian representation. BDp =results of Binary Diamond where the feature vectors are in four dimensional polar coordinates. bNN results of nearest neighbor, and BP of back-propagation. 1149 1150 Salu The overall performance of the Binary Diamond was better than those of the nearest neighbor and the back-propagation classifiers. This was the case in auto-classification and in cross-classification, in scenes that included all the pixels, and in scenes that consisted only of non-boundary pixels. However, when comparing individual classes, it was found that different classes may have different best classifiers. In practical applications, the prices of correct or the wrong classifications of each class, as well as the frequency of the classes in the environment will determine the optimal classifier. All the networks recruited their neurons as needed, during the training phase. They all started with 256 neurons in the first layer, and with seventeen neuron in the class layer, outside the Binary Diamond. At the end of the training phase of the first scene, The Binary Diamond consisted of 5,622 neurons, in four layers. This is a manageable number, and it is much smaller than the maximum number of possible clues, 644 =224. 4 OrnER APPLICATIONS OF mE BINARY DIAMOND The Binary Diamond, as presented here, was the core of a network that was used as a classifier. Because of its special structure, the Binary Diamond can be used in other related problems, such as in associative memories. In associative memory, a presented clue has to retrieve all the basic features of an associated item. If we start from any node in the Binary Diamond, and cascade down in the existing lines, we reach all the basic features of this clue in the frrst layer. So, to retrieve an associated item, the signals of the input clue have frrst to climb up the binary diamond till they reach a node, which is the best generalization of this clue, and then to cascade down and to activate the basic features of this generalization. The synaptic weights in the upward direction can encode information about causality relationships and the frequency of co-activations of the pre and post-synaptic neurons. This information can be used in the retrieval of the most appropriate generalization to the given clue. An associative memory of this kind retrieves information in ways similar to human associative retrieval (paper submitted). REFERENCES A reference list, as well as more details about pixel classification can be found in: Classification of Multi-Spectral Image Data by the Binary Diamond Neural Network and by Non-Parametric Pixel-by-Pixel Methods, by Yehuda Salu and James Tilton. IEEE Transactions On Geoscience And Remote Sensing, 1993 (in press).
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Correlation Functions in a Large Stochastic Neural Network Iris Ginzburg School of Physics and Astronomy Raymond and Beverly Sackler Faculty of Exact Sciences Tel-Aviv University Tel-Aviv 69978, Israel Haim Sompolinsky Racah Institute of Physics and Center for Neural Computation Hebrew University Jerusalem 91904, Israel Abstract Most theoretical investigations of large recurrent networks focus on the properties of the macroscopic order parameters such as population averaged activities or average overlaps with memories. However, the statistics of the fluctuations in the local activities may be an important testing ground for comparison between models and observed cortical dynamics. We evaluated the neuronal correlation functions in a stochastic network comprising of excitatory and inhibitory populations. We show that when the network is in a stationary state, the cross-correlations are relatively weak, i.e., their amplitude relative to that of the auto-correlations are of order of 1/N, N being the size of the interacting population. This holds except in the neighborhoods of bifurcations to nonstationary states. As a bifurcation point is approached the amplitude of the cross-correlations grows and becomes of order 1 and the decay timeconstant diverges. This behavior is analogous to the phenomenon of critical slowing down in systems at thermal equilibrium near a critical point. Near a Hopf bifurcation the cross-correlations exhibit damped oscillations. 471 472 Ginzburg and Sompolinsky 1 INTRODUCTION In recent years there has been a growing interest in the study of cross-correlations between the activities of pairs of neurons in the cortex. In many cases the crosscorrelations between the activities of cortical neurons are approximately symmetric about zero time delay. These have been taken as an indication of the presence of "functional connectivity" between the correlated neurons (Fetz, Toyama and Smith 1991, Abeles 1991). However, a quantitative comparison between the observed cross-correlations and those expected to exist between neurons that are part of a large assembly of interacting population has been lacking. Most of the theoretical studies of recurrent neural network models consider only time averaged firing rates, which are usually given as solutions of mean-field equations. They do not account for the fluctuations about these averages, the study of which requires going beyond the mean-field approximations. In this work we perform a theoretical study of the fluctuations in the neuronal activities and their correlations, in a large stochastic network of excitatory and inhibitory neurons. Depending on the model parameters, this system can exhibit coherent undamped oscillations. Here we focus on parameter regimes where the system is in a statistically stationary state, which is more appropriate for modeling non oscillatory neuronal activity in cortex. Our results for the magnitudes and the time-dependence of the correlation functions can provide a basis for comparison with physiological data on neuronal correlation functions. 2 THE NEURAL NETWORK MODEL We study the correlations in the activities of neurons in a fully connected recurrent network consisting of excitatory and inhibitory populations. The excitatory connections between all pairs of excitatory neurons are assumed to be equal to J / N where N denotes the number of excitatory neurons in the network. The excitatory connections from each of the excitatory neurons to each of the inhibitory neurons are J' / N. The inhibitory coupling of each of the inhibitory neurons onto each of the excitatory neurons is K / M where M denotes the number of inhibitory neurons. Finally, the inhibitory connections between pairs of inhibitory neurons are ](' / M. The values of these parameters are in units of the amplitude of the local noise (see below). Each neuron has two possible states, denoted by Si ?1 and Ui ?1 for the i-th excitatory and inhibitory neurons, respectively. The value -1 denotes a quiet state. The value +1 denotes an active state that corresponds to a state with high firing rate. The neurons are assumed to be exposed to local noise resulting in stochastic dynamics of their states. This dynamics is specified by transition probabilities between the -1 and +1 states that are sigmoidal functions of their local fields. The local fields of the i-th excitatory neuron, Ei and the i-th inhibitory neuron, Ii, at time t, are = Ei(t) = = J s(t) - K u(t) - () (1) J's(t) - K' u(t) - () (2) Correlation Functions in a Large Stochastic Neural Network where () represents the local threshold and sand 0' are the population-averaged activities s(t) = l/N"'?j Sj(t), and O'(t) = l/M"'?j O'j(t) of the excitatory and inhibitory neurons, respectively. 3 AVERAGE FIRING RATES The macroscopic state of the network is characterized by the dynamics of s(t) and O'(t). To leading order in l/N and l/M, they obey the following well known equations TO ds dt dO' dt TO- = = -s + tanh(Js - J{O' - 0) (3) -0' + tanh (I J s - K-,I 0' - 0) (4) where TO is the microscopic time constant of the system. Equations of this form for the two population dynamics have been studied extensively by Wilson and Cowan (Wilson and Cowan 1972) and others (Schuster and Wagner 1990, Grannan, Kleinfeld and Sompolinsky 1992) Depending on the various parameters the stable solutions of these equations are either fixed-points or limit cycles. The fixed-point solutions represent a stationary state of the network in which the popUlation-averaged activities are almost constant in time. The limit-cycle solutions represent nonstationary states in which there is a coherent oscillatory activity. Obviously in the latter case there are strong oscillatory correlations among the neurons. Here we focus on the fixed-point case. It is described by the following equations So = tanh ( J So - K 0'0 - 0) (5) 0'0 = tanh (J ' So - K'O'o - 0) (6) where So and 0'0 are the fixed-point values of sand O'. Our aim is to estimate the magnitude of the correlations between the temporal fluctuations in the activities of neurons in this statistically stationary state. 4 CORRELATION FUNCTIONS There are two types of auto-correlation functions, for the two different populations. For the excitatory neurons we define the auto-correlations as: (7) where 6s i (t) = Sj(t)-so and < ... >t means average over time t. A similar definition holds for the auto-correlations of the inhibitory neurons. In our network there are three different cross-correlations: excitatory-excitatory, inhibitory- inhibitory, and inhibitory-excitatory. The excitatory-excitatory correlations are Cij(T) = {8s i (t)8sj(t + T)}t Similar definitions hold for the other functions. (8) 473 474 Ginzburg and Sompolinsky We have evaluated these correlation functions by solving the equations for the correlations of 6Si(t) in the limit of large Nand M. We find the following forms for the correlations: Gii(T) ~ (1- s~)exp(-A1T) + 1 3 N La,exp(-AI T) (9) '=1 1 3 Gij(T)~ NLb,exP(-A,T) . (10) 1=1 The coefficients a, and b, are in general of order 1. The three A, represent three inverse time-constants in our system, where Re(AI) ~ Re(A2) ~ Re(A3)' The first inverse time constant equals simply to Al = liTo, and corresponds to a purely local mode of fluctuations. The values of A2 and A3 depend on the parameters of the system. They represent two collective modes of fluctuations that are coherent across the populations. An important outcome of our analysis is that A2 and A3 are exactly the eigenvalues of the stability matrix obtained by linearizing Eqs. (3) and (4) about the fixed-point Eqs. (5) and (6) . The above equations imply two differences between the auto-correlations and the cross-correlations. First, Gi i are of order 1 whereas in general Gij is of 0(1/ N). Secondly, the time-dependence of Gii is dominated by the local, fast time constant TO, whereas Gij may be dominated by the slower, collective time-constants. The conclusion that the cross-correlations are small relative to the auto-correlations might break down if the coefficients b, take anomalously large values. To check these possibility we have studied in detail the behavior of the correlations near bifurcation points, at which the fixed point solutions become unstable. For concreteness we will discuss here the case of Hopfbifurcations. (Similar results hold for other bifurcations as well). Near a Hopf bifurcation A2 and A3 can be written as A? ~ ? ? iw, where ? > 0 and vanishes at the bifurcation point. In this parameter regime, the amplitudes b1 ? b2, b3 and b2 ~ b3 ~ ~. Similar results hold for a2 and a3. Thus, near the bifurcation, we have Gii (T) ~ (1 - s~) exp( -T /ro)cos(wr) (11) B Gij(r) ~ N? exp(-?r)cos(wr) . (12) Note that near a bifurcation point ? is linear in the difference between any of the parameters and their value at the bifurcation. The above expressions hold for ?? 1 but large compared to l/N.When ? ~ liN the cross-correlation becomes of order 1, and remains so throughout the bifurcation. Figures 1 and 2 summarize the results of Eqs. (9) and (10) near the Hopf bifurcation point at J,J',K,K',O 225,65, 161,422,2.4. The population sizes are N 10000, M 1000. We have chosen a parameter range so that the fixed point values of So and lTo will represent a state with low firing rate resembling the spontaneous activity levels in the cortex. For the above parameters the rates relative to the saturation rates are 0.01 and 0.03 for the excitatory and inhibitory populations respectively. = = = Correlation Functions in a Large Stochastic Neural Network 0.45 04 035 0.3 025 02 015 01 005 O~~==C==C==~~--~~--~~ 180 185 190 195 200 205 210 215 220 225 J FIG URE 1. The equal-time cross-correlations between a pair of excitatory neurons, and the real part of its inverse time-constant,f, vs. the excitatory coupling parameter J. The values of Cij (0) and of the real-part of the inverse-time constants of Cij are plotted (Fig. 1) as a function of the parameter J holding the rest of the parameters fixed at their values at the bifurcation point. Thus in this case f a(225 - J). The Figure shows the growth of Cij and the vanishing of the inverse time constant as the bifurcation point is approached. 0.15 ..-----r--..-----,---.,....---,---r----,----,--.,.----, 0.1 0.05 o -0 .05 -0 .1 -0 .15 L-_....l.-_--L_---l._ _.L..-_-'--_-'-_~_-.-I_ _~_-' o 5 10 15 20 25 delay 30 35 40 45 50 The time-dependence of the cross-correlations near the bifurcation (J = 215) is shown in Fig. 2. Time is plotted in units of TO. The pronounced damped oscillations are, according to our theory, characteristic of the behavior of the correlations near but below a Hopf bifurcation. 475 476 Ginzburg and Sompolinsky 5 CONCLUSION Most theoretical investigations of large recurrent networks focus on the properties of the macroscopic order parameters such as population averaged activity or average overlap with memories. However, the statistics of the fluctuations in the activities may be an important testing ground for comparison between models and observed cortical dynamics. We have studied the properties of the correlation functions in a stochastic network comprising of excitatory and inhibitory populations. We have shown that the cross-correlations are relatively weak in stationary states, except in the neighborhoods of bifurcations to nonstationary states. The growth of the amplitude of these correlations is coupled to a growth in the correlation time-constant. This divergence of the correlation time is analogous to the phenomenon of critical slowing down in systems at thermal equilibrium near a critical point. Our analysis can be extended to stochastic networks consisting of a small number of interacting homogeneous populations. Detailed comparison between the model's results and experimental values of autoand cross- correlograms of extracellularly measured spike trains in the neocortex have been carried out (Abeles, Ginzburg and Sompolinsky). The tentative conclusion of this study is that the magnitude of the observed correlations and their time-dependence are inconsistent with the expected ones for a system in a stationary state. They therefore indicate that cortical neuronal assemblies are in a nonstationary (but aperiodic) dynamic state. Acknowledgements: We thank M. Abeles for most helpful discussions. This work is partially supported by the USA-Israel Binational Science Foundation. REFERENCES Abeles M., 1991. Corticonics: Neural Circuits of the Cerebral Cortex. Cambridge University Press. Abeles M., Ginzburg I. & Sompolinsky H. Neuronal Cross-Correlations and Organized Dynamics in the Neocortex. to appear Fetz E., Toyama K. & Smith W., 1991. Synaptic Interactions Between Cortical Neurons. Cerebral Cortex, edited by A. Peters & G. Jones Plenum Press,NY. Vol 9. 1-43. Grannan E., Kleinfeld D. & Sompolinsky H., 1992. Stimulus Dependent Synchronization of Neuronal Assemblies. Neural Computation 4,550-559. Schuster H. G. & Wagner P., 1990. BioI. Cybern. 64, 77. Wilson H. R. & Cowan J. D., 1972. Excitatory and Inhibitory Interactions m Localized Populations of Model Neurons. Biophy. J. 12, 1-23.
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Classification of Electroencephalogram using Artificial Neural Networks A C Tsoi*, D S C So*, A Sergejew** *Department of Electrical Engineering **Department of Psychiatry University of Queensland St Lucia, Queensland 4072 Australia Abstract In this paper, we will consider the problem of classifying electroencephalogram (EEG) signals of normal subjects, and subjects suffering from psychiatric disorder, e.g., obsessive compulsive disorder, schizophrenia, using a class of artificial neural networks, viz., multi-layer perceptron . It is shown that the multilayer perceptron is capable of classifying unseen test EEG signals to a high degree of accuracy. 1 Introduction The spontaneous electrical activity of the brain was first observed by Caton in 1875. Although considerable investigations on the electrical activity of the non-human brain have been undertaken, it was not until 1929 that a German neurologist Hans Berger first published studies on the electroencephalogram (EEG) recorded on the scalp of human. He lay the foundation of clinical and experimental applications of EEG between 1929 and 1938. Since then EEG signals have been used in both clinical and experimental work to discover the state which the brain is in (see e.g., Herrmann, 1982, Kolb and Whishaw, 1990, Lindsay and Holmes, 1984). It has served as a direct indication of any brain activities. It is routinely being used in clinical diagnosis of epilepsy (see e.g., Basar, 1980; Cooper, 1980). Despite advances in technology, the classification of EEG signals at present requires a trained personnel who either "eyeballs" the direct EEG recordings over time, 1151 1152 Tsoi, So, and Sergejew or studies the contour maps representing the potentials generated from the "raw" electrical signal (see e.g., Cooper, 1980). This is both a highly skillful job, as well as a laborious task for a neurologist. With the current advances in computers, a logical question to ask: can we use the computer to perform an automa'(.ic classification of EEG signals into different classes denoting the psychiatric states of the subjects? This type of classification studies is not new. In fact, in the late 1960's there were a number of attempts in performing the automatic classification using discriminant analysis techniques. However, this work was largely abandoned as most researchers concluded that classification based on discriminant techniques does not generalise well, i.e., while it has very good classification accuracies in classifying the data which is used to train the automatic classification system, it may not have high accuracy in classifying the unseen data which are not used to train the system in the first instance. Recently, a class of classification techniques, called artificial neural network (ANN), based on nonlinear models, has become very popular (see e.g., Touretzky, 1989, 1990, Lippmann et aI, 1991). This type of networks claims to be inspired by biological neurons, and their many inter-connections. This type of artificial neural networks has limited pattern recognition capabilities. Among the many applications which have been applied so far are sonar signal classification (see e.g., Touretzky, 1989), handwritten character recognition (see .e.g., Touretzky, 1990), facial expression recognition (see e.g., Lippmann et a1. 1991). In this paper, we will investigate the possibility of using an ANN for EEG classifications. While it is possible to extract features from the time series using either time domain or frequency domain techniques, from some preliminary work, it is found that the time domain techniques give much better results. The structure of this paper is as follows: In section 2, we will give a brief discussion on a popular class of ANNs, viz., multi-layer perceptrons (MLP). In section 3, we will discuss various feature extractions using time domain techniques. In section 4, we will present results in classifying a set of unseen EEG signals. 2 Multi-layer Perceptrons Artificial neural network (ANN) consists of a number of artificial neurons interconnected together by synaptic weights to form a network (see e.g, Lippmann, 1987). Each neuron is modeled by the following mechanical model: n y = f(L WiXi + 0) (1) i=l = where y is the output of the neuron, Wi, i 1,2, ... , n are the synaptic weights, Xi, i 1,2 ... , n are the inputs, and 0 is a threshold function. The nonlinear function f(.) can be a sigmoid function, or a hyperbolic tangent function. An ANN is a network of inter-connected neurons by synapses (Hertz, Krogh and Palmer, 1991). = There are many possible ANN architectures (Hertz, Krogh, Palmer, 1991). A pop- Classification of Electroencephalogram Using Artificial Neural Networks ular architecture is the multi-layer perceptron (MLP) (see e.g., Lippmann, 1987). In this class of ANN, signal travels only in a forward direction. Hence it is also known as a feedforward network. Mathematically, it can be described as follows: Y = !(Az + 0ll) z=!(Bu+O z ) (2) (3) where y is a m x 1 vector, representing the output of the output layer neurons; z is a p x 1 vector, representing the outputs of the hidden layer neurons; u is a n x 1 vector, representing the input feature vector; OJ! is a m x 1 vector, known as the threshold vector for the output layer neurons; Oz is a p x 1 vector, representing the threshold vector for the hidden layer neurons; A and B are matrices of m x p and p x n respectively. The matrices A, and B are the synaptic weights connecting the hidden layer neuron to the output layer neuron; and the input layer neurons, and the hidden layer neurons respectively. For simplicity sake, we will assume the nonlinearity function to be a sigmoid function, i.e., 1 f(a)=I+e- a (4) The unknown parameters A, B, OJ!, Oz can be obtained by minimizing an error criterion: p J = L(di .=1 Yi)2 (5) where P is the total number of examplars, di , i = 1,2, ... , P are the desired outputs which we wish the MLP to learn. By differentiating the error criterion J with respect to the unknown parameters, learning algorithms can be obtained. The learning rules are as follows: (6) where Anew is the next estimate of the matrix A, T denotes the transpose of a vector or a matrix. TJ is a learning constant. A(y) is a m x m diagonal matrix, whose dia~onal elements are / (Y')' i 1,2, ... , m. The vector e is m x 1, and it is given by e [(d 1 - yd, (d 2 - Y2), ... , (d m - Ym)]T. = = The updating equation for the B matrix is given by the following (7) where 6 is a p x 1 vector, given by 1153 1154 Tsoi, So, and Sergejew fJ = AT A(y)e (8) and the other parameters are as defined above. The threshold vectors can be obtained as follows: (9) and (10) Thus it is observed that once a set of initial conditions for the unknown parameters are given, this algorithm will find a set of parameters which will converge to a value, representing possibly a local minimum of the error criterion. 3 Pre-processing of the EEG signal A cursory glance at a typical EEG signal of a normal subject, or a psychiatrically ill subject would convince anyone that one cannot hope to distinguish the signal just from the raw data alone. Consequently, one would need to perform considerable feature extraction (data pre-processing) before classification can be made. There are two types of simple feature extraction techniques, viz., frequency domain and time domain (see e.g., Kay, 1988, Marple, 1987). In the frequency domain, one performs a fast Fourier transform (FFT) on the data. Often it is advantageous to modify the signal by a window function. This will reduce the sidelobe leakage (Kay, and Marple, 1981, Harris, 1978). it is possible to use the average spectrum, obtained by averaging the spectrum over a number of frames, as the input feature vector to the MLP. In the time domain, one way to pre-process the data is to fit a parametric model to the underlying data. There are a number of parametric models, e.g., autoregressive (AR) model, an autoregressive moving average (ARMA) model (see e.g., Kay, 1988, Marple, 1987). The autoregressive model can be described as follows: N Se = L OjSe_j + fe (11) j=1 where Se is the signal at time t; ft is assumed to be a zero mean Gaussian variable with variance (T2. The unknown parameters OJ, j = 1,2, ... , N describe the spectrum of the signal. They can be obtained by using standard methods, e.g., Yule-Walker equations, or Levinson algorithm (Kay, 1988, Marple, 1987). The autoregressive moving average (ARMA) model can be seen as a parsimonious model for an AR model with a large N. Hence, as long as we are not concerned Classification of Electroencephalogram Using Artificial Neural Networks about the interpretation of the AR model obtained, there is little advantage to use the more complicated ARMA model. Subsequently, in this paper, we will only consider the AR models. Once the AR parameters are determined, then they can be used as the input features to the MLP. It is known that the AR parametric model basically produces a smoothed spectral envelope (Kay, 1988, Marple, 1987). Thus, the model parameters of AR is another way to convey the spectral information to the MLP. This information is different in quality to that given by the FFT technique in that the FFT transforms both signal and noise alike, while the parametric models tend to favor the signal more and is more effective in suppressing the noise effect. In some preliminary work, we find that the frequency domain extracted features do not give rise to good classification results using MLP. Henceforth we will consider only the AR parameters as input feature vectors. 4 Classification Results In this section, we will summarise the results of the experiments in using the AR parametric method of feature extraction as input parameters to the MLP. We obtained EEG data pertaining to normal subjects, subjects who have been diagnosed as suffering from severe obsessive compulsive disorder (OCD), and subjects who have been diagnosed as suffering from severe schizophrenia. Both the OCD and the schizophrenic subjects are under medication. The subjects are chosen so that their medication as well as their medical conditions are at a steady state, i.e., they have not changed over a long period of time. The diagnosis is made by a number of trained neurologists. The data files are chosen only if the diagnosis from the experts concur. We use the standard 10-20 recording system (Cooper, 1980), i.e., there are 19 channels of EEG recording, each sampled at 128 Hz. The recording were obtained while the subject is at rest. Some data screening has been performed to screen out the segment of data which contains any artifact. In addition, the data is anti-aliased first by a low pass filter before being sampled. The sampled data is then low pass filtered at 30 Hz to get rid of any higher frequency components. We have chosen one channel, viz., the C z channel (the channel which is the recording of the signal at the azimuth of the scalp). This channel can be assumed to be representative of the brain state from the overall EEG recording of the scalp. 1 This time series is employed for feature extraction purposes. For time domain feature extraction, we first convert the time series into a zero mean one. Then a data frame of one second duration is chosen 2 as the basic time segmentation of the series. An AR model is fitted to this one second time frame to 1 From some preliminary work, it can be shown that this channel can be considered as a linear combination of the other channels, in the sense that the prediction error variance is small. 2It has been found that the EEG signal is approximately stationary for signal length of one second. Hence employing a data frame width of one second ensures that the underlying assumptions in the AR modelling technique are valid (Marple, 1988) 1155 1156 Tsoi, So, and Sergejew extract a feature vector formed by the resulting AR coefficients. An average feature vector is acquired from the first 250 seconds, as in practice, the first 250 seconds usually represent a state of calm in the patient, and therefore the EEG is less noisy. After the first 250 seconds, the patient may enter an unstable condition, such as breathing faster and muscle contraction which can introduce artifacts. We use an AR model of length between 8 to 15. We have chosen 15 such data file to form our training data set. This consists of 5 data files from normal subjects, 5 from OeD subjects, and 5 from subjects suffering from schizophrenia. In the time domain extracted feature vectors, we use a MLP with 8 input neurons, 15 hidden layer neurons, and 3 output neurons. The MLP's are trained accordingly. We use a learning gain of 0.01. Once trained, the network is used to classify unseen data files. These unseen data files were pre-classified by human experts. Thus the desired classification of the unseen data files are known. This can then be used to check the usefulness of the MLP in generalising to unseen data files. The results 3 are shown in table 1. The unseen data set consists of 6 normal subjects, 8 schizophrenic subjects, and 10 obsessive compulsive disorder subjects. It can be observed that the network correctly classifies all the normal cases, makes one mistake in classifying the schizophrena cases, and one mistake in classifying the OeD cases. Also we have experimented on varying the number of hidden neurons. It is found that the classification accuracy does not vary much with the variation of hidden layer neurons from 15 to 50. We have also applied the MLP on the frame by frame data, i.e., before they are being averaged over the 250 second interval. However, it is found that the classification results are not as good as the ones presented. We were puzzled by this result as intuitively, we would expect the frame by frame results to be better than the ones presented. A plausible explanation for this puzzle is given as follows: the EEG data is in general quite noisy. In the frame by frame analysis, the features extracted may vary considerably over a short time interval, while in the approach taken here, the noise effect is smoothed out by the averaging process. One may ask: why would the methods presented work at all? In traditional EEG analysis (Lindsay & Holmes, 1984), FFT technique is used to extract the frame by frame frequency responses. The averaged frequency response is then obtained over this interval. Traditionally only four dominant frequencies are observed, viz., the "alpha", "beta", "delta", and "theta" frequencies. It is a basic result in EEG research that these frequencies describe the underlying state of the subject. For example, it is known that the "alpha" wave indicates that the subject is at rest. An EEG technologist uses data in this form to assist in the diagnosis of the subject. On the other hand, it is relatively well known in signal processing literature (Kay, 3The results shown are typical results. We have used different data files for training and testing. In most cases, the classification errors on the unseen data files are small, similar to those presented here. Classification of Electroencephalogram Using Artificial Neural Networks original classes normall normal2 normal3 normal4 normal5 norma16 schiz1 schiz2 schiz3 schiz4 schiz5 schiz6 schiz7 schiz8 ocdl ocd2 ocd3 ocd4 ocd5 ocd6 ocd7 ocd8 ocd9 ocdlO activation of normal 0.905 0.963 0.896 0.870 0.760 0.752 0.000 0.000 0.002 0.015 0.000 0.377 0.062 0.006 0.017 0.027 0.000 0.000 0.015 0.000 0.002 0.006 0.045 0.085 activation of schiz 0.008 0.006 0.021 0.057 0.237 0.177 0.981 0.941 0.845 0.989 0.932 0.695 0.898 0.086 0.134 0.007 0.033 0.014 0.138 0.150 0.034 0.960 0.005 0.046 activation of ocd 0.201 0.103 0.086 0.020 0.000 0.065 0.042 0.163 0.050 0.004 0.061 0.014 0.000 0.921 0.922 0.940 0.993 0.997 0.889 0.946 0.985 0.003 0.940 0.585 predicted classes normal normal normal normal normal normal schiz schiz schiz schiz schiz schiz schiz ocd ocd ocd ocd ocd ocd ocd ocd schiz ocd ocd Table 1: Classification of unseen EEG data files 1988, Marple, 1987) to view the AR model as indicative of the underlying frequency content of the signal. In fact, an 8th order AR model indicates that the signal can be considered to consist of 4 underlying frequencies. Thus, intuitively, the 8th order AR model averaged over the first 250 seconds represents the underlying dominant frequencies in the signal. Given this interpretation, it is not surprising that the results are so good. The features extracted are similar to those used in the diagnosis of the subjects. The classification technique, which in this case, the MLP, is known to have good generalisation capabilities (Hertz, Krogh, Palmer, 1991). This contrasts the techniques used in previous attempts in the 1960's, e.g., the discriminant analysis, which is known to have poor generalisation capabilities. Thus, one of the reasons why this approach works may be attributed to the generalisation capabilities of the MLP. 5 Conclusions In this paper, a method for classifying EEG data obtained from subjects who are normal, OCD or schizophrenia has been obtained by using the AR parameters as 1157 1158 Tsoi, So, and Sergejew input feature vectors. It is found that such a network has good generalisation capabili ties . 6 Acknowledgments The first and third author wish to acknowledge partial financial support from the Australian National Health and Medical Research Council. In addition, the first author wishes to acknowledge partial financial support from the Australian Research Council. 7 References Basar, E. (1980). EEG-Brain Dynamics - Relation between EEG and Brain Evoked Potentials. Elsevier/North Holland Biomedical Press. Cooper, R. (1980). EEG Technology. Butterworths. Third Editions. Harris, F.J. (1978). "On the Use of windows for Harmonic Analysis with the Discrete Fourier Transform". Proceedings IEEE. Vol. 66, pp 51-83. Herrmann, W.M. (1982). Electroencephalography in Drug Research. Butterworths. Hertz, J. Krogh, A, Palmer, R. (1991) Introduction to The Theory of Neural Computation. Addison Wesley, Redwood City, Calif. Kay, S.M., Marple, S.L., Jr. (1981). "Spectrum Analysis - A Modern Perspective". Proceeding IEEE. Vol. 69, No. 11, Nov. pp 1380 - 1417. Kay, S.M. (1988) Modern Spectral Estimation - Theory and Applications Prentice hall. Kolb, B., Whishaw, I.Q. (1990). Fundamentals of Human Neuropsychology. Freeman, New York. Lindsay, D.F., Holmes, J.E. (1984). Basic Human Neurophysiology. Elsevier. Lippmann, R.P. (1987) " An introduction to computing with neural nets" IEEE Acoustics Speech and Signal Processing Magazine. Vol. 4, No.2, pp 4-22. Lippmann, R.P., Moody, J., Touretzky, D.S. (Ed.) (1991). Advances in Neural Information Processing Systems 9. Morgan Kaufmann, San Mateo, Calif. Marple, S.L., Jr. (1987). Digital Spectral Analysis with Applications. Prentice Hall. Touretzky, D.S. (Ed.) (1989). Advances in Neural Information Processing Systems 1. Morgan Kaufmann, San Mateo, Calif. Touretzky, D.S. (Ed.) (1990). Advances in Neural Information Processing Systems 2. Morgan Kaufmann, San Mateo, Calif. PART XII WORKSHOPS
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Postal Address Block Location Using A Convolutional Locator Network Ralph Wolf and John C. Platt Synaptics, Inc. 2698 Orchard Parkway San Jose, CA 95134 Abstract This paper describes the use of a convolutional neural network to perform address block location on machine-printed mail pieces. Locating the address block is a difficult object recognition problem because there is often a large amount of extraneous printing on a mail piece and because address blocks vary dramatically in size and shape. We used a convolutional locator network with four outputs, each trained to find a different corner of the address block. A simple set of rules was used to generate ABL candidates from the network output. The system performs very well: when allowed five guesses, the network will tightly bound the address delivery information in 98.2% of the cases. 1 INTRODUCTION The U.S. Postal Service delivers about 350 million mail pieces a day. On this scale, even highly sophisticated and custom-built sorting equipment quickly pays for itself. Ideally, such equipment would be able to perform optical character recognition (OCR) over an image of the entire mail piece. However, such large-scale OCR is impractical given that the sorting equipment must recognize addresses on 18 mail pieces a second. Also, the large amount of advertising and other irrelevant text that can be found on some mail pieces could easily confuse or overwhelm the address recognition system. For both of these reasons, character recognition must occur 745 746 Wolf and Platt Figure 1: Typical address blocks from our data set. Notice the wide variety in the shape, size, justification and number of lines of text. Also notice the detached ZIP code in the upper right example. Note: The USPS requires us to preserve the confidentiality of the mail stream. Therefore, the name fields of all address block figures in this paper have been scrambled for publication. However, the network was trained and tested using unmodified images. only on the relevant portion of the envelope: the destination address block. The system thus requires an address block location (ABL) module, which draws a tight bounding box around the destination address block. The ABL problem is a challenging object recognition task because address blocks vary considerably in their size and shape (see figure 1). In addition, figures 2 and 3 show that there is often a great deal of advertising or other information on the mail piece which the network must learn to ignore. Conventional systems perform ABL in two steps (Caviglione, 1990) (Palumbo, 1990). First, low-level features, such as blobs of ink, are extracted from the image. Then, address block candidates are generated using complex rules. Typically, there are hundreds of rules and tens of thousands of lines of code. The architecture of our ABL system is very different from conventional systems. Instead of using low-level features, we train a neural network to find high-level abstract features of an address block. In particular, our neural network detects the corners of the bounding box of the address block. By finding abstract features instead of trying to detect the whole address block in one step, we build a large degree of scale and shape invariance into the system. By using a neural network, we do not need to develop explicit rules or models of address blocks, which yields a more accurate system. Because the features are high-level, it becomes easy to combine these features into object hypotheses. We use simple address block statistics to convert the corner features into object hypotheses, using only 200 lines of code. Postal Address Block Location Using a Convolutional Locator Network 2 SYSTEM ARCHITECTURE Our ABL system takes 300 dpi grey scale images as input and produces a list of the 5 most likely ABL candidates as output. The system consists of three parts: the preprocessor, a convolutional locator network, and a candidate generator. 2.1 PREPROCESSOR The preprocessor serves two purposes. First, it substantially reduces the resolution of the input image, therefore decreasing the computational requirements of the neural network. Second, the preprocessor enhances spatial frequencies in the image which are associated with address text. The recipe used for the preprocessing is as follows: 1: 2: 3: 4: 5: Clip the top 20% of the image. Spatially filter with a passband of 0.3 to 1.4mm. Take the absolute value of each pixel. Low-pass filter and subsample by a factor of 16 in X and Y. Perform a linear contrast stretch, mapping the darkest pixel to 1.0 and the lightest pixel to 0.0. The effect of this preprocessing can be seen in figures 2 and 3. 2.2 CONVOLUTIONAL LOCATOR NETWORK We use a convolutional locator network (CLN) to find the corners of the bounding box. Each layer of a CLN convolves its weight pattern in two dimensions over the outputs of the previous layer (LeCun, 1989) (Fukushima, 1980). Unlike standard convolutional networks, the output of a CLN is a set of images, in which regions of activity correspond to recognition of a particular object. We train an output neuron of a CLN to be on when the receptive field of that neuron is over an object or feature, and off everywhere else. CLNs have been previously used to assist in the segmentation step for optical character recognition, where a neuron is trained to turn on in the center of every character, regardless of the identity of the character (Martin, 1992) (Platt, 1992). The recognition of an address block is a significantly more difficult image segmentation problem because address blocks vary over a much wider range than printed characters (see figure 1). The output of the CLN is a set of four feature maps, each corresponding to one corner of the address block. The intensity of a pixel in a given feature map represents the likelihood that the corresponding corner of the address block is located at that pixel. Figure 4 shows the architecture of our convolutional locator network (CLN). It has three layers of trainable weights, with a total of 22,800 free parameters. The network was trained via weight-shared backpropagation. The network was trained for 23 epochs on 800 mail piece images. This required 125 hours of cpu-time on an i860 based computer. Cross validation and final testing was done with two additional 747 748 Wolf and Platt Figure 2: The network operating on an example from the test set. The top image is the original image. The middle image is the image that is fed to the CLN after preprocessing. The preprocessing enhances the text and suppresses the background color. The bottom image is the first candidate of the ABL system. The output of the system is shown with a white and black rectangle. In this case, the first candidate is correct. Notice that our ABL system does not get confused by the horizontal lines in the image, which would confound a line-finding-based ABL system. Postal Address Block Location Using a Convolutional Locator Network Figure 3: Another example from the test set. The preprocessed image still has a large amount of background noise. In this example, the first candidate of the ABL system (shown in the lower left) was almost correct, but the ZIP code got truncated. The second candidate of the system (shown in the lower right) gives the complete address. 749 750 Wolf and Platt Output maps Third layer of weights 4 36x16 windows Second layer feature maps Second layer of weights 8 9x9 windows 2x2 subsampled first layer feature maps First layer feature maps First layer of weights 6 9x9 windows Input image Figure 4: The architecture of the convolutional locator network used in our ABL system. data sets of 500 mail pieces each. All together, these 1800 images represent 6 Gbytes of raw data, or 25 Mbytes of preprocessed images. 2.3 CANDIDATE GENERATOR The candidate generator uses the following recipe to convert the output maps of the CLN into a list of ABL candidates: 1: Find the top 10 local maxima in each feature map. 2: Construct all possible tBL candidates by combining pairs of local maxima from opposing corners. 3: Discard candidates which have negative length or width. 4: Compute confidence of each candidate. 6: Sort the candidates according to confidence. 6: Remove duplicate and near duplicate candidates. 7: Pad the candidates by a fixed amount on all sides. The confidence of an address block candidate is: 2 Caddress block = PsizePIocation II Ci i=l where Caddress block is the confidence of the address block candidate, Psize is the prior probability of finding an address block of the hypothesized size, I\ocation is the prior probability of finding an address block in the hypothesized location, and Postal Address Block Location Using a Convolutional Locator Network Ci are the value of each of the output maxima. The prior probabilities Psize and .A.ocation were based on smoothed histograms generated from the training set and validation set truths. Steps 6 and 7 each contain 4 tuning parameters which we optimized using the validation set and then froze before evaluating the final test set. 3 SYSTEM PERFORMANCE Figures 2 and 3 show the performance of the system on two challenging mail pieces from the final test set. We examined and classified the response of the system to all 500 test images. When allowed to produce five candidates, the ABL system found 98.2% of the address blocks in the test images. More specifically, 96% of the images have a compact bounding box for the complete address block. Another 2.2% have bounding boxes which contain all of the delivery information, but omit part of the name field. The remaining 1.8% fail, either because none of the candidates contain all the delivery information, or because they contain too much non-address information. The average number of candidates required to find a compact bounding box is only 1.4. 4 DISCUSSION This paper demonstrates that using a CLN to find abstract features of an object, rather than locating the entire object, provides a reasonable amount of insensitivity to the shape and scale of the obj~ct. In particular, the completely identified address blocks in the final test set had aspect ratios which ranged from 1.3 to 6.1 and their absolute X and Y dimensions both varied over a 3:1 range. They contained anywhere from 2 to 6 lines of text. In the past, rule-based systems for object recognition 'were designed from scratch and required a great deal of domain-specific knowledge. CLNs can be trained to recognize different classes of objects without a lot of domain-specific knowledge. Therefore, CLNs are a general purpose object segmentation and recognition architecture. The basic computation of a CLN is a high-speed convolution, which can be costeffectively implemented by using parallel hardware (Sickinger, 1992). Therefore, CLNs can be used to reduce the complexity and cost of hardware recognition systems. 5 CONCLUSIONS In this paper, we have described a software implementation for an address block location system which uses a convolutional locator network to detect the corners of the destination address on machine printed mail pieces. The success of this system suggests a general approach to object recognition tasks where the objects vary considerably in size and shape. We suggest the following 751 752 Wolf and Platt three-step approach: use a simple preprocessing algorithm to enhance stimuli which are correlated to the object, use a CLN to detect abstract features of the objects in the preprocessed image, and construct object hypotheses by a simple analysis of the network output. The use of CLNs to detect abstract features enables versatile object recognition architectures with a reasonable amount of scale and shape invariance. Acknowledgements This work was funded by USPS Contract No. 104230-90-C-344l. The authors would like to thank Dr. Binh Phan of the USPS for his generous advice and encouragement. The images used in this work were provided by the USPS. References Caviglione, M., Scaiola, (1990), "A Modular Real-time Vision System for Address Block Location," Proc. 4th Advanced Technology Conference, USPS, 42-56. Fukushima, K., (1980), "Neocognitron: A Self-Organizing Neural Network Model for a Mechanism of Pattern Recognition Unaffected by Shift in Position." Biological Cybernetics, 36, 193-202. LeCun, Y., Boser, B., Denker, J.S., Henderson, D., Howard, R. E., Hubbard, W., Jackel, L. D., (1989), "Backpropagation Applied to Handwritten Zip Code Recognition" Neural Computation, 1, 541-55l. Martin, G., Rashid, M., (1992), "Recognizing Overlapping Hand-Printed Characters by Centered-Object Integrated Segmentation and Recognition," Advances in Neural Information Processing Systems, 4, 504-51l. Palumbo, P. W., Soh, J., Srihari, S. N., Demjanenjo, V., Sridhar, R., (1990), "RealTime Address Block Location using Pipelining and Multiprocessing," Proc. 4th Advanced Technology Conference, USPS, 73-87. Platt, J., Decker, J. E, LeMoncheck, J. E., (1992), "Convolutional Neural Networks for the Combined Segmentation and Recognition of Machine Printed Characters," Proc. 5th Advanced Technology Conference, USPS, 701-713. Sackinger, E., Boser, B., Bromley, J., LeCun, Y., Jackel, L., (1992) "Application of the ANNA neural network chip to high-speed character recognition," IEEE Trans. Neural Networks, 3, (3), 498-505.
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Learning Complex Boolean Functions: Algorithms and Applications Arlindo L. Oliveira and Alberto Sangiovanni- Vincentelli Dept. of EECS UC Berkeley Berkeley CA 94720 Abstract The most commonly used neural network models are not well suited to direct digital implementations because each node needs to perform a large number of operations between floating point values. Fortunately, the ability to learn from examples and to generalize is not restricted to networks ofthis type. Indeed, networks where each node implements a simple Boolean function (Boolean networks) can be designed in such a way as to exhibit similar properties. Two algorithms that generate Boolean networks from examples are presented. The results show that these algorithms generalize very well in a class of problems that accept compact Boolean network descriptions. The techniques described are general and can be applied to tasks that are not known to have that characteristic. Two examples of applications are presented: image reconstruction and hand-written character recognition. 1 Introduction The main objective of this research is the design of algorithms for empirical learning that generate networks suitable for digital implementations. Although threshold gate networks can be implemented using standard digital technologies, for many applications this approach is expensive and inefficient. Pulse stream modulation [Murray and Smith, 1988] is one possible approach, but is limited to a relatively small number of neurons and becomes slow if high precision is required. Dedicated 911 912 Oliveira and Sangiovanni-Vincentelli boards based on DSP processors can achieve very high performance and are very flexible but may be too expensive for some applications. The algorithms described in this paper accept as input a training set and generate networks where each node implements a relatively simple Boolean function. Such networks will be called Boolean networks. Many applications can benefit from such an approach because the speed and compactness of digital implementations is still unmatched by its analog counterparts. Additionally, many alternatives are available to designers that want to implement Boolean networks, from full-custom design to field programmable gate arrays. This makes the digital alternative more cost effective than solutions based on analog designs. Occam's razor [Blumer et ai., 1987; Rissanen, 1986] provides the theoretical foundation for the development of algorithms that can be used to obtain Boolean networks that generalize well. According to this paradigm, simpler explanations for the available data have higher predictive power. The induction problem can therefore be posed as an optimization problem: given a labeled training set, derive the less complex Boolean network that is consistent I with the training set. Occam's razor, however, doesn't help in the choice of the particular way of measuring complexity that should be used. In general, different types of problems may require different complexity measures. The algorithms described in section 3.1 and 3.2 are greedy algorithms that aim at minimizing one specific complexity measure: the size of the overall network. Although this particular way of measuring complexity may prove inappropriate in some cases, we believe the approach proposed can be generalized and used with minor modifications in many other tasks. The problem of finding the smallest Boolean network consistent with the training set is NP-hard [Garey and Johnson, 1979] and cannot be solved exactly in most cases. Heuristic approaches like the ones described are therefore required. 2 Definitions We consider the problem of supervised learning in an attribute based description language. The attributes (input variables) are assumed to be Boolean and every exemplar in the training set is labeled with a value that describes its class. Both algorithms try to maximize the mutual information between the network output and these labels. Let variable X take the values {Xl, X2, ... x n } with probabilities p(Xd,P(X2) ... P(x n ). The entropy of X is given by H(X) = - Lj p(Xj) logp(xj) and is a measure of the uncertainty about the value of X. The uncertainty about the value of X when the value of another variable Y is known is given by H(XIY) = - Li p(Yi) Lj p(Xj Iyd logp(xj Iyd? The amount by which the uncertainty of X is reduced when the value of variable Y is known, I(Y, X) = H(X) - H(XIY) is called the mutual information between Y and X. In this context, Y will be a variable defined by the output of one or more nottes in the network and X will be the target value specified in the training set. 1 Up to some specified level. Learning Complex Boolean Functions: Algorithms and Applications 3 3.1 Algorithms Muesli - An algorithm for the design of multi-level logic networks This algorithm derives the Boolean network by performing gradient descent in the mutual information between a set of nodes and the target values specified by the labels in the training set. In the pseudo code description of the algorithm given in figure 1, the function 'L (S) computes the mutual information between the nodes in S (viewed as a multi-valued variable) and the target output. muesli( nlist) { nlist ;- sorLnlisLby1(nlist,1); sup;- 2; while (noLdone(nlist) /\ sup < max_sup) { act ;- 0; do { act + +; success;- improvLmi(act, nlist, sup); } while (success = FALSE /\ act < max_act); if (success = TRUE) { sup;- 2; while (success = TRUE) success;- improve_mi(act, nlist, sup); } else sup + +; } } improVLmi(act, nlist, sup) { nlist;- sorLnlisLby1(nlist, act); 1;- besLlunction(nlist, act, sup); if (I(nlist[l:act-l] U f) > I(nlist[l:act])) { nlist ;- nlist U I; return(TRUE); } else return(FALSE) j } Figure 1: Pseudo-code for the Muesli algorithm. The algorithm works by keeping a list of candidate nodes, nlist, that initially contains only the primary inputs. The act variable selects which node in nl ist is active. Initially, act is set to 1 and the node that provides more information about the output is selected as the active node. Function imp1'ove_miO tries to combine the active node with other nodes as to increase the mutual information. Except for very simple functions, a point will be reached where no further improve- 913 914 Oliveira and Sangiovanni-Vincentelli ments can be made for the single most informative node. The value of act is then increased (up to a pre-specified maximum) and improve_mi is again called to select auxiliary features using other nodes in ntist as the active node. If this fails, the value of sup (size of the support of each selected function) is increased until no further improvements are possible or the target is reached. The function sorLnlisLbyJ(nlist, act) sorts the first act nodes in the list by decreasing value of the information they provide about the labels. More explicitly, the first node in the sorted list is the one that provides maximal information about the labels. The second node is the one that will provide more additional information after the first has been selected and so on. Function improve_miO calls besLfunction(nlist, act, sup) to select the Boolean function f that takes as inputs node nlist[act] plus s'up-1 other nodes and maximizes I(nlist[l : act -1] U f). When sup is larger than 2 it is unfeasible to search all 22 s UP possible functions to select the desired one. However, given sup input variables, finding such a function is equivalent to selecting a partition 2 of the 28UP points in the input space that maximizes a specific cost function. This partition is found using the Kernighan-Lin algorithm [Kernighan and Lin, 1970] for graph-partitioning. Figure 2 exemplifies how the algorithm works when learning the simple Boolean function f = ab + cde from a complete training set. In this example, the value of sup is always at 2. Therefore, only 2 input Boolean functions are generated. Select x = ab mi([]) = 0.0 Fails to fmd f(x,?) with mi([f]) > 0.52 Set act = 2; a nlist = [a,b,c,d,e] act = 1 mi([a]) = 0.16 Selecty = cd nlist = [x,y,e,a,b,c,d] act = 2 mi([x,y]) = 0.74 nlist = [x,c,d,e,a,b] act = 1 mi([xD =0.52 Select w =ye nlist = [x,y,e,a,b,c,d] act = 2 mi([x,w]) = 0.93 nlist = [x,c,d,e,a,b] act = 2 mi([x,c]) = 0.63 Fails to find f(w,?) with mi([x,f]) > 0.93 Set act =0; Select Z =x+w nlist = [z,x,y,a,b,c,d,e] act = 1 mi([z]) =0.93 Figure 2: The muesli algorithm, illustrated 2 A single output Boolean function is equivalent to a partition of the input space in two sets. Learning Complex Boolean Functions: Algorithms and Applications 3.2 Fulfringe - a network generation algorithm based on decision trees This algorithm uses binary decision trees [Quinlan, 1986] as the basic underlying representation. A binary decision tree is a rooted, directed, acyclic graph, where each terminal node (a node with no outgoing edges) is labeled with one of the possible output labels and each non-terminal node has exactly two outgoing edges labeled 0 and 1. Each non-terminal node is also labeled with the name of the attribute that is tested at that node. A decision tree can be used to classify a particular example by starting at the root node and taking, until a terminal is reached, the edge labeled with the value of the attribute tested at the current node. Decision trees are usually built in a greedy way. At each step, the algorithm greedily selects the attribute to be tested as the one that provides maximal information about the label of the examples that reached that node in the decision tree. It then recurs after splitting these examples according to the value of the tested attribute. Fulfringe works by identifying patterns near the fringes of the decision tree and using them to build new features. The idea was first proposed in [Pagallo and Haussler, 1990]. N A 1\0 + ~+ + A 1\ !A "A o + +~ + p+g -p&g A + A +1\ + + -p+-g p+-g -p+g 0 + p&g -p&-g p&-g A 0 MMMM + + + + + + + + p(t)g Figure 3: Fringe patterns identified by fuifringe Figure 3 shows the patterns that fulfringe identifies . Dcfringe, proposed in [Yang et al., 1991], identifies the patterns shown in the first two rows. These patterns correspond to 8 Boolean functions of 2 variables . Since there are only 10 distinct Boolean functions that depend on two variables 3 , it is natural to add the patterns in the third row and identify all possible functions of 2 variables. As in dcftinge and fringe, these new composite features are added (if they have not yet been generated) to the list of available features and a new decision tree is built. The 3The remaining 6 functions of 2 variables depend on only one or none of the variables. 915 916 Oliveira and Sangiovanni-Vincentelli process is iterated until a decision tree with only one decision node is built. The attribute tested at this node is a complex feature and can be viewed as the output of a Boolean network that matches the training set data. 3.3 Encoding multivalued outputs Both muesli and Julfringe generate Boolean networks with a single binary valued output. When the target label can have more than 2 values, some encoding must be used. The prefered solution is to encode the outputs using an error correcting code [Dietterich and Bakiri, 1991] . This approach preserves most of the compactness of a digital encoding while beeing much less sensitive to errors in one of the output variables. Additionally, the Hamming distance between an observed output and the closest valid codeword gives a measure of the certainty of the classification. This can be used to our advantage in problems where a failure to classify is less serious than the output of a wrong classification. 4 Performance evaluation To evaluate the algorithms, we selected a set of 11 functions of variable complexity. A complete description of these functions can be found in [Oliveira, 1994]. The first 6 functions were proposed as test cases in [Pagallo and Haussler, 1990] and accept compact disjoint normal form descriptions. The remaining ones accept compact multi-level representations but have large two level descriptions. The algorithms described in sections 3.1 and 3.2 were compared with the cascade-correlation algorithm [Fahlman and Lebiere, 1990] and a standard decision t.ree algorithm analog to ID3 [Quinlan, 1986]. As in [Pagallo and Haussler, 1990], the number of examples in the training set was selected to be equal to ~ times the description length of the function under a fixed encoding scheme, where f was set equal to 0.1. For each function, 5 training sets were randomly selected. The average accuracy for the 5 runs in an independent set of 4000 examples is listed in table 1. Table 1: Accuracy of the four algorithms. Function dnfl dnf2 dnf3 dnf4 xor4_16 xor5_32 sm12 sm18 str18 str27 carry8 Average # inputs 80 40 32 64 16 32 12 18 18 27 16 # examples 3292 2185 1650 2640 1200 4000 1540 2720 2720 4160 2017 muesli 99.91 99.28 99.94 100.00 98.35 60.16 99.90 100.00 100.00 98.64 99.50 95 .97 Accuracy fulfringe ID3 99.98 82.09 98.89 88.84 100.00 89.98 100.00 72.61 100.00 75.20 100.00 51.41 lUO.OO 99.81 99.92 91.48 100.00 94.55 99.35 94 .24 98.71 96.70 99.71 85.35 CasCor 75.38 73.11 79 .19 58.41 99.91 99.97 98.98 91.30 92.57 93 .90 99 .22 87.45 The results show that the performance of muesli and fulfringe is consistently su- Learning Complex Boolean Functions: Algorithms and Applications perior to the other two algorithms. Muesli performs poorly in examples that have many xor functions, due the greedy nature of the algorithm . In particular, muesli failed to find a solution in the alloted time for 4 of the 5 runs of xor5_32 and found the exact solution in only one of the runs. ID3 was the fastest of the algorithms and Cascade-Correlation the slowest. Fulfringe and muesli exhibited similar running times for these tasks. 'rVe observed, however, that for larger problems the runtime for fulfringe becomes prohibitively high and muesli is comparatively much faster. 5 Applications To evaluate the techniques described in real problems, experiments were performed in two domains: noisy image reconstruction and handwritten character recognition. The main objective was to investigate whether the approach is applicable to problems that are not known to accept a compact Boolean network representation. The outputs were encoded using a 15 bit Hadamard error correcting code. 5.1 Image reconstruction The speed required by applications in image processing makes it a very interesting field for this type of approach. In this experiment, 16 level gray scale images were corrupted by random noise by switching each bit with 5% probability. Samples of this image were used to train a network in the reconstruction of the original image. The training set consisted of .5x5 pixel regions of corrupted images (100 binary variables per sample) labeled with the value of the center pixel. Figure 4 shows a detail of the reconstruction performed in an independent test image by the network obtained using fulfringe. Original image corrupted image Reconstructed image Figure 4: Image reconstruction experiment 5.2 Handwritten character recognition The NIST database of handwritten characters was used for this task. Individually segmented digits were normalized to a 16 by 16 binary grid. A set of 53629 digits was used for training and the resulting network was tested in a different set of 52467 917 918 Oliveira and Sangiovanni-Vincentelli digits. Training was performed using muesli. The algorithm was stopped after a prespecified time (48 hours on a DECstation 5000/260) ellapsed. The resulting network was placed and routed using the TimberWolf [Sechen and Sangiovanni-Vincentelli, 1986] package and occupies an area of 78.8 sq. mm. using 0.8fl technology. The accuracy on the test set was 93.9%. This value compares well with the performance obtained by alternative approaches that use a similarly sized training set and little domain knowledge, but falls short of the best results published so far. Ongoing research on this problem is concentrated on the use of domain knowledge to restrict the search for compact networks and speed up the training. Acknowledgements This work was supported by Joint Services Electronics Program grant F49620-93-C-0014. References [Blumer et al., 1987] A. Blumer, A. Ehrenfeucht, D. Haussler, and M. Warmuth. Occam's razor. Information Processing Letters, 24:377-380, 1987. [Dietterich and Bakiri, 1991] T. G. Dietterich and G. Bakiri. Error-correcting output codes: A general method for improving multiclass inductive learning programs. In Proceedings of the Ninth National Conference on Artificial Intelligence (AAAI-91), pages 572-577. AAAI Press, 1991. [Fahlman and Lebiere, 1990] S.E. Fahlman and C. Lebiere. The cascade-correlation learning architecture. In D.S. Touretzky, editor, Advances in Neural Information Processing Systems, volume 2, pages 524-532, San Mateo, 1990. Morgan Kaufmann. [Garey and Johnson, 1979] M.R. Garey and D.S. Johnson. Computers and Intractability: A Guide to the Theory of NP-Completeness. Freeman, New York. 1979. [Kernighan and Lin, 1970] B. W. Kernighan and S. Lin. An efficient heuristic procedure for partitioning graphs. The Bell System Technical Journal, pages 291-307, February 1970. [Murray and Smith, 1988] Alan F. Murray and Anthony V. W. Smith. Asynchronous vlsi neural networks using pulse-stream arithmetic. IEEE Journal of Solid-State Circuits, 23:3:688-697, 1988. [Oliveira, 1994] Arlindo L. Oliveira. Inductive Learning by Selection of Minimal Representations. PhD thesis, UC Berkeley, 1994. In preparation. [Pagallo and Haussler, 1990] G. Pagallo and D. Haussler. empirical learning. Machine Learning, 1, 1990. Boolean feature discovery in [Quinlan, 1986] J. R. Quinlan. Induction of decision trees. Machine Learning, 1:81-106, 1986. [Rissanen, 1986) J. Rissanen. Stochastic complexity and modeling. Annals of Statistics, 14:1080-1100, 1986. [Sechen and Sangiovanni-Vincentelli, 1986J Carl Sechen and Alberto Sangiovanni-Vincentelli. TimberWolf3.2: A new standard cell placement and global routing package. In Proceedings of the 23rd Design Automation Conference, pages 432-439, 1986. [Yang et al., 1991] D. S. Yang, L. Rendell, and G. Blix. Fringe-like feature construction: A comparative study and a unifying scheme. In Proceedings of the Eight International Conference in Machine Learning, pages 223-227, San Mateo, 1991. Morgan Kaufmann.
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Lipreading by neural networks: Visual preprocessing, learning and sensory integration Gregory J. Wolff Ricoh California Research Center 2882 Sand Hill Road Suite 115 Menlo Park, CA 94025-7022 [email protected] David G. Stork Ricoh California Research Center 2882 Sand Hill Road Suite 115 Menlo Park, CA 94025-7022 stor [email protected] K. Venkatesh Prasad Ricoh California Research Center 2882 Sand Hill Road Suite 115 Menlo Park, CA 94025-7022 [email protected] Marcus Hennecke Department of Electrical Engineering Mail Code 4055 Stanford University Stanford, CA 94305 Abstract We have developed visual preprocessing algorithms for extracting phonologically relevant features from the grayscale video image of a speaker, to provide speaker-independent inputs for an automatic lipreading ("speechreading") system. Visual features such as mouth open/closed, tongue visible/not-visible, teeth visible/notvisible, and several shape descriptors of the mouth and its motion are all rapidly computable in a manner quite insensitive to lighting conditions. We formed a hybrid speechreading system consisting of two time delay neural networks (video and acoustic) and integrated their responses by means of independent opinion pooling - the Bayesian optimal method given conditional independence, which seems to hold for our data. This hybrid system had an error rate 25% lower than that of the acoustic subsystem alone on a five-utterance speaker-independent task, indicating that video can be used to improve speech recognition. 1027 1028 Wolff, Prasad, Stork, and Hennecke 1 INTRODUCTION Automated speech recognition is notoriously hard, and thus any predictive source of information and constraints that could be incorporated into a computer speech recognition system would be desirable. Humans, especially the hearing impaired, can utilize visual information - "speech reading" - for improved accuracy (Dodd & Campbell, 1987, Sanders & Goodrich, 1971). Speech reading can provide direct information about segments, phonemes, rate, speaker gender and identity, and subtle information for segmenting speech from background noise or multiple speakers (De Filippo & Sims, 1988, Green & Miller, 1985). Fundamental support for the use of visual information comes from the complementary nature of the visual and acoustic speech signals. Utterances that are difficult to distinguish acoustically are the easiest to distinguish. visually, and vice versa. Thus, for example /mi/ H /ni/ are highly confusable acoustically but are easily distinguished based on the visual information of lip closure. Conversely, /bi/ H /pi/ are highly confusable visually ("visemes"), but are easily distinguished acoustically by the voice-onset time (the delay between the burst sound and the onset of vocal fold vibration). Thus automatic lipreading promises to help acoustic speech recognition systems for those utterances where they need it most; visual information cannot contribute much information to those utterances that are already well recognized acoustically. 1.1 PREVIOUS SYSTEMS The system described below differs from recent speech reading systems. Whereas Yuhas et al. (1989) recognized static images and acoustic spectra for vowel recognition, ours recognizes dynamic consonant-vowel (CV) utterances. Whereas Petajan, Bischoff & Bodoff (1988) used thresholded pixel based representations of speakers, our system uses more sophisticated visual preprocessing to obtain phonologically relevant features. Whereas Pentland and Mase (1989) used optical flow methods for estimating the motion of four lip regions (and used no acoustic subsystem), we obtain several other features from intensity profiles. Whereas Bregler et al. (1993) used direct pixel images, our recognition engine used a far more compressed visual representation; our method of integration, too, was based on statistical properties of our data. We build upon the basic recognizer architecture of Stork, Wolff and Levine (1992), but extend it to grayscale video input. 2 VISUAL PREPROCESSING The sheer quantity of image data presents a hurdle to utilizing video information for speech recognition. Our approach to video preprocessing makes use of several simple computations to reduce the large amount of data to a manageable set of low-level image statistics describing the region of interest around the mouth. These statistics capture such features as the positions of the upper and lower lip, the mouth shape, and their time derivatives. The rest of this section describes the computation of these features. Grayscale video images are captured at 30 frames/second with a standard NTSC Lipreading by Neural Networks: Visual Preprocessing, Learning, and Sensory Integration pixel posiCion pixel position Figure 1: (Left) The central bands of the automatically determined ROI from two frames of the video sequence of the utterance /ba/ and their associated luminance profiles along the central marked line. Notice that the lowest valley in this profile changes drastically in intensity as the mouth changes from closed to open. In addition, the linear separation between the peaks adjacent to the lowest valley also increases as the mouth opens. These features are identified on the ROI from a single frame (right). The position, intensity, and temporal variation of these features provide input to our recognizer. camera, and subsampled to give 150 x 150 pixel image sequence. A 64 x 64 pixel region of interest (ROI) is detected and tracked by means of the following operations on the full video images: ? ? ? ? ? Convolve with 3 x 3 pixel low-pass filter Convolve with 3 x 3 pixel edge detector Convolve with 3 x 3 pixel low-pass filter Threshold at (Imax - I min)/2 Triangulate eyes with mouth (to (to (to (to (to remove spatial noise) detect edges) smooth edges) isolate eyes and mouth) obtain ROI) We also use temporal coherence in frame-to-frame correlations to reduce the effects of noise in the profile or missing data (such as "closed" eyes). Within the ROI the phonological features are found by the following steps (see Figure 1): ? ? ? ? ? Convolve with 16 x 16 pixel low-pass filter Extract a vertical intensity profile Extract a horizontal intensity profile Locate and label intensity peaks and valleys Calculate interframe peak motion (to remove noise) (mouth height) (mouth width) (candidates for teeth, tongue) (speed estimates) Video preprocessing tasks, including temporal averaging, are usually complicated because they require identifying corresponding pixels across frames. We circumvent this pixel correspondence problem by matching labeled features (such as intensity extrema - peaks and valleys) on successive frames. 1029 1030 Wolff, Prasad, Stork, and Hennecke 2.1 FEATURES The seventeen video features which serve as input to our recognizer are: ? Horizontal separation between the left and right mouth corners ? Vertical separation between the top and bottom lips For each of the three vertically aligned positions: ? Vertical position: ? Intensity value: ? Change in intensity versus time: Pv I !:::.I /!:::.t For both of the mouth corner positions: ? Horizontal position: Ph ? Intensity value: ? Change in intensity versus time: I !:::.I /!:::.t For each speaker, each feature was scaled have a zero mean and unit standard deviation. 3 DATA COLLECTION AND NETWORK TRAINING We trained the modified time delay neural network (Waibel, 1989) shown in Figure 2 on both the video and acoustic data. (See Stork, Wolff and Levine (1992) for a complete description of the architecture.) For the video only (VO) network, the input layer consists of 24 samples of each of the 17 features, corresponding to roughly 0.8 seconds. Each (sigmoidal) hidden unit received signals from a receptive field of 17 features for five consecutive frames. Each of the different hidden units (there were 3 for the results reported below) is replicated to cover the entire input space with overlapping receptive fields. The next layer consisted of 5 rows of x-units (one row for each possible utterance), with exponential transfer functions. They received inputs from the hidden units for 11 consecutive frames, thus they indirectly received input from a total of 18 input frames corresponding to roughly 0.6 seconds. The activities of the x-units encode the likelihood that a given letter occurs in that interval. The final layer consists of five p-units (probability units), which encode the relative probabilities of the presence of each of the possible utterances across the entire input window. Each p-unit sums the entire row of corresponding x-units, normalized by the sum over all x-units. (Note that "weights" from the x-units to the p-units are fixed.) The acoustic only (AO) network shared the same architecture, except that the input consisted of 100 frames (1 second) of 14 mel scale coefficients each, and the x-units received fan in from 25 consecutive hidden units. In the TDNN architecture, weights are shared, i.e., the pattern of input-to-hidden weights is forced to be the same at each interval. Thus the total number of independent weights in this VO network is 428, and 593 for the AO network. These networks were trained using Backpropagation to minimize the KullbackLeibler distance (cross-entropy) between the targets and outputs, E =D(t II p) = Ltdn(--.!..). t? l . Pi (1) Here the target probability is 1 for the target category, and 0 for all other categories. In this case Equation 1 simplifies to E -In(pc) where c is the correct category. = Lipreading by Neural Networks: Visual Preprocessing. Learning. and Sensory Integration Outputs for utterance ma3 bada!a lama c> ci en '"Q)c>. -0 -0 c> I Q '" ~--------~~----------~ 5 10 15 20 Time Figure 2: Modified time delay neural network architecture (left) and unit activities for a particular pattern (right). The output probabilities are calculated by integrating over the entire input window and normalizing across categories. Note the temporal segmentation which naturally occurs in the layer of X-units. 3.1 SENSORY INTEGRATION Given the output probability distributions of the two networks, we combine them assuming conditional independence and using Bayes rule to obtain: (2) That is, the joint probability of the utterance belonging to category normalized product of the outputs for category Ci of each network. Ci is just the This "independent opinion pooling" (Berger, 1985) offers several ad vantages over other methods for combining the modalities. First, it is optimal if the two signals really are conditionally independent, which appears to be the case for our data. (Proving that two signals are not conditionally independent is difficult.) Moreover, Massaro and Cohen (1983) have shown that human recognition performance is consistent with the independence assumption. A second advantage is simplicity. The combination adds no extra parameters beyond those used to model each signal, thus generalization performance should be good. Furthermore, the independent recognizers can be developed and trained separately, the only requirement is that they both output probability estimations. A third advantage is that this system automatically compensates for noise and assigns more importance to the network which is most sure of its classification. For example, if the video data were very noisy (or missing), the video network would 1031 1032 Wolff, Prasad, Stork, and Hennecke judge all utterances equally likely. In this case the video contribution would cancel out, and the final output probabilities would be determined solely by the audio network. Bregler et al. (1993) attempt to compensate for the variance between channels by using the entropy of the output of the individual networks as a weighting on their contribution to the final outputs. Their ad hoc method suffers several drawbacks. For example, it does not distinguish the case where a one category is highly likely and the rest equiprobable, from the case where several categories are moderately likely. A final advantage of Eq. 2 is that it does not require synchrony of the acoustic and visual features. The registration between the two signals could be off substantially (as long as the same utterance is present in the input to both networks). On the contrary, methods which attempt to detect cross-modal features would be very sensitive to the relative timing of the two signals. 4 RESULTS Audio Test Video Test ma o 0 o 0 0 la o 0 0 0 0 -.e- fa o o da 0000 ::J ::J ba 0 00 0 0 ba da fa 0 0 0 0 la ma Input 54% correct maooooO maooooO _ la ::J 0 AV Test .e::J o fa da :OQ~ o-- 00:c9~ 00 ::J o Q. ::J 0 baOO 0 0 ooQ ba da fa la ma Input 64% correct :: 0 da 0 baOo ba da fa 0 0 0 0 la ma Input 72% correct Figure 3: Confusion matrices for the video only (VO), acoustic only (AO), and the AV networks. Each vertical column is labeled by the spoken CV pair presented as input; each horizontal row represents the output by the network. The radius of each disk in the array is proportional to the output probability given an input letter. The recognition accuracy (measured as a percentage of novel test patterns properly classified by maximum network output) is shown. The video and audio networks were trained separately on several different consonants in the same vowel context (/ba/, Ida/, Ifa/, Ila/, Ima/) recorded from several different speakers. (For the results reported below, there were 10 speakers, repeating each of 5 CV pairs 5 times. Four of these were used for training, and one for testing generalization.) For the video only networks, the correct classification (using the Max decision rule) on unseen data is typically 40-60%. As expected, the audio networks perform better with classification rates in the 50-70% range on these small sets of similar utterances. Lipreading by Neural Networks: Visual Preprocessing, Learning, and Sensory Integration Figure 3 shows the confusion matrices for the network outputs. We see that for the video only network the confusion matrix is fairly diagonal, indicating generally good performance. However the video network does tend to confuse utterances such as /ba/ H /maj. The audio network generally makes fewer errors, but confuses other utterances, such as /ba/ H / da/. The performance for the combined outputs (the AV network) is much better than either of the individual networks, achieving classification rates above 70%. (In previous work with only 4 speakers, classifications rates of up to 95% have been achieved.) We also see a strongly diagonal confusion matrix for the AV network, indicating that complementary nature of the the confusions made by the individual networks. 5 RELATIONSHIP TO HUMAN PERCEPTION Visual Acoustic o .,# 0 . ?0 :; Q. :; o "t? o . '6 . . ?0 o? ? o o :~6 ? ?: o? ?? 0 ? o ??? ? . . . 0 . ? 0? 0.? ????? ? ? . . . o? ??0 O~~9hj kI~ r~'~~h Input - - 0 ::s ::s Q. . :; 0 AV Q. :; ~?~~;k;~;S~h Input 0 Input Figure 4: Confusion matrices from human recognition performance for video only, acoustic only, and combined speech for CV pairs (Massaro et aI., 1993). Interestingly, our results are qualitatively similar to findings in human perception. Massaro et aI. (1993) presented Visual only, Acoustic only, and combined speech to subjects and collected response probabilities. As can be seen in the confusion matrices of Figure 4, subjects are not so bad at lipreading. The Visual only confusion matrix shows a strong diagonal component, though confusions such as /ma/ H /ba/ are common . Performance on acoustic speech is better, of course, but there are still confusions such as /ba/ H / daj. Combined speech yields even better recognition performance, eliminating most confusions. In fact, Massaro et aI. found that the response probabilities of combined speech are accurately predicted by the product of the two single mode response probabilities. Massaro uses this and other evidence to argue quite convincingly that humans treat acoustic and visual speech channels independently, combining them only at a rather late stage of processing. 1033 1034 Wolff, Prasad, Stork, and Hennecke 6 CONCLUSIONS AND FUTURE WORK The video pre-processing presented here represents a first pass at reducing the amount of visual data to a manageable level in order to enable on-line processing. Our results indicate that even these straightforward, computationally tractable methods can significantly enhance speech recognition. Future efforts will concentrate on refining the pre-processing to capture more information, such as rounding and f-tuck, and testing the efficacy of our recognition system on larger datasets. The complementary nature of the acoustic and visual signals lead us to believe that a further refined speech reading system will significantly improve the state-of-the-art acoustic recognizers, especially in noisy environments. References J. O . Berger. (1985) Statistical decision theory and Bayesian analysis (2nd ed'). 272-275, New York: Springer-Verlag. C. Bregler, S. Manke, H. Hild & A. Waibel. (1993) Bimodal Sensor Integration on the example of "Speech-Reading". Proc. ICNN-93, Vol. II 667-677. C. L. De Filippo & D. G. Sims (eds.), (1988) New Reflections on Speechreading (Special issue of The Volta Review). 90(5). B. Dodd & R. Campbell (eds.). (1987) Hearing by Eye: The Psychology of Lip-reading. Hillsdale, N J: Lawrence Erlbaum Press. K. P. Green & J. L. Miller. (1985) On the role of visual rate information in phonetic perception. Perception and Psychophysics 38, 269-276. D. W. Massaro & M. M. Cohen (1983) Evaluation and integration of visual and auditory information in speech perception J. Exp. Psych: Human Perception and Performance 9, 753-771. D. W. Massaro, M. M. Cohen & A. T. Gesi (1993). Long-term training, transfer, and retention in learning to lipread. Perception ?3 Psychophysics, 53, 549-562. A. Pentland & K. Mase (1989) Lip reading: Automatic visual recognition of spoken words. Proc. Image Understanding and Machine Vision, Optical Society of America, June 12-14. E. D. Petajan, B. Bischoff & D. Bodoff. (1988) An improved automatic lipreading system to enhance speech recognition. ACM SIGCHI-88, 19-25. D. Sanders & S. Goodrich. (1971) The relative contribution of visual and auditory components of speech to speech intelligibility as a function. of three conditions of frequency distortion. J. Speech and Hearing Research 14, 154-159. D. G . Stork, G. Wolff & E. Levine. (1992) Neural network lipreading system for improved speech recognition. Proc. IJCNN-92, Vol. II 285-295. A. Waibel. (1989) Modular construction of time-delay neural networks for speech recognition. Neural Computation 1, 39-46. B. P. Yuhas, M. H. Goldstein, Jr., T. J. Sejnowski & R. E. Jenkins. (1988) Neural network models of sensory integration for improved vowel recognition. Proc. IEEE 78(10), 16581668.
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Connectionism for Music and Audition Andreas S. Weigend Department of Computer Science and Institute of Cognitive Science University of Colorado Boulder, CO 80309-0430 Abstract This workshop explored machine learning approaches to 3 topics: (1) finding structure in music (analysis, continuation, and completion of an unfinished piece), (2) modeling perception of time (extraction of musical meter, explanation of human data on timing), and (3) interpolation in timbre space. In recent years, NIPS has heard neural networks generate tunes and harmonize chorales. With a large amount of music becoming available in computer readable form, real data can be used to train connectionist models. At the beginning of this workshop, Andreas Weigend focused on architectures to capture structure on multiple time scales. J. S. Bach's last (unfinished) fugue from Die Kunst der Fuge served as an example (Dirst & Weigend, 1994).1 The prediction approach to continuation and completion, as well as to modeling expectations, can be characterized by the question "What's next?". Moving to time as the primary medium of musical communication, the inquiry in music perception and cognition shifted to the question "When next?" . In other words, so far we have considered patterns in time. They assume prior identification and subsequent processing of events. Bob Port, coming from the speech community, considered patterns of time, discussing timing in linguistic polyrhythms (e.g., hot cup of tea). He also drew parallels between timing in Japanese language and timing in music, supporting the hypothesis that perceptional rhythms entrain attentional rhythms. As a mechanism for entrainment, Devin McAuley presented adaptive oscillators: the oscillators adapt their frequencies such that their "firing" coincides with the beat of the music (McAuley, 1994). As the beat can be viewed as entrainment of an individual oscillator, the meter can be viewed as entrainment of multiple oscillators. Ed Large described human perception of metrical structure in analogy to two pendulum clocks that synchronize their motions by hanging on the same wall. An advantage of these entrainment 1 This fugue is available via anonymous ftp from ftp. santafe. edu as data set F. dat of the Santa Fe Time Series Analysis and Prediction Competition. 1163 1164 Weigend approaches (which focus on time as time) over traditional approaches (which focus on music notation and treat time symbolically) is their ability to model phenomena in music performance, such as expressive timing. Taking a Gibsonian perspective, Fred Cummins emphasized the relevance of ecological constraints on audition: perceptually relevant features are not easily spotted in the wave form or the spectrum. Among the questions he posed were: what "higher-order" features might be useful for audition, and whether recurrent networks could be useful to extract such features. The last contribution also addressed the issue of representation, but with sound synthesis in mind: wouldn't a musician like to control sound in a perceptually relevant space, rather than fiddling with non-intuitive coefficients of an FM-algorithm? Such a space was constructed with human input: subjects were asked to similarityjudge sounds from different instruments (normalized in pitch, duration and volume). Multidimensional scaling was used to define a low-dimensional sub-space keeping the distance relations. Michael Lee first trained a network to find a map from timbre space to the space of the first 33 harmonics (Lee, 1994). He then used the network to generate rich new sounds by interpolating in this perceptually relevant space, through physical gestures, such as from a data glove, or through an interface musicians might be comfortable with, such as a cello. The discussion turned to the importance of working with perceptually adequate, "ecologically sound" representations (e.g., by using a cochlea model as pre-processor, or a speech model as post-processor for sonification applications). Finally, to probe human cognition, we discussed synthetic sounds, designed to reveal fundamental characteristics of the auditory system, independent of our daily experience. Returning to the title, the workshop turned out to be problem driven: people presented a problem or a finding and searched for a solution-connectionist or otherwise-rather than applying canned connectionist ideas to music and cognition. I thank the speakers, Fred Cummins ([email protected]), Ed Large ([email protected]), Michael Lee ([email protected]), Devin McAuley ([email protected]), Robert Port ([email protected]), as well as all participants. I also thank Tom Ngo ([email protected]) for sending me the notes he took at the workshop, and Eckhard Kahle ([email protected]) for discussing this summary. References Dirst, M., and A. S. Weigend (1994) "Baroque Forecasting: On Completing J. S. Bach's Last Fugue." In Time Series Prediction: Forecasting the Future and Understanding the Past, edited by A. S. Weigend and N. A. Gershenfeld, pp. 151172. Addison-Wesley. Lee, M., and D. Wessel (1992) "Connectionist Models for Real-Time Control of Synthesis and Compositional Algorithms." In Proceedings of the International Computer Music Conference, pp. 277-280. San Francisco, CA: International Computer Music Association. McAuley, J. D. (1994) "Finding metrical structure in time." In Proceedings of the 1993 Connectionist Models Summer School, edited by M. C. Mozer, P. Smolensky, D. S. Touretzky, J. L. Elman and A. S. Weigend, pp. 219-227. Lawrence Erlbaum .
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467 SPONTANEOUS AND INFORMATION-TRIGGERED SEGMENTS OF SERIES OF HUMAN BRAIN ELECTRIC FIELD MAPS D. lehmann, D. Brandeis*, A. Horst, H. Ozaki* and I. Pal* Neurol09Y Department, University Hospital, 8091 Zurich, Switzerland ABSTRACT The brain works in a state-dependent manner: processin9 strate9ies and access to stored information depends on the momentary functional state which is continuously re-adjusted. The state is manifest as spatial confi9uration of the brain electric field. Spontaneous and information-tri9gered brain electric activity is a series of momentary field maps. Adaptive segmentation of spontaneous series into spatially stable epochs (states) exhibited 210 msec mean segments, discontinuous changes. Different maps imply different active neural populations, hence expectedly different effects on information processing: Reaction time differred between map classes at stimulus arrival. Segments might be units of brain information processin9 (content/mode/step), possibly operationalizin9 consciousness time. Related units (e.9. tri9gered by stimuli durin9 fi9ure perception and voluntary attention) mi9ht specify brain submechanisms of information treatment. BRAIN FUNCTIONAL STATES AND THEIR CHANGES The momentary functional state of the brain is reflected by the confi9uration of the brain's electro-ma9netic field. The state manifests the strate9Y, mode, step and content of brain information processing, and the state constrains the choice of strate9ies and modes and the access to memory material available for processin9 of incoming information (1). The constraints include the available range of changes of state in PAVLOV's classical ?orienting reaction" as response to new or important informations. Different states mi9ht be viewed as different functional connectivities between the neural elements. The orienting reaction (see 1,2) is the result of the first (Mpre-attentiveM) stage of information processing. This stage operates automatically (no involvement of consciousness) and in a parallel mode, and quickly determines whether (a) the information is important or unknown and hence requires increased attention and alertness, i.e. an orienting reaction which means a re-adjustment of functional state in order to deal adequately with the information invokin9 consciousness for further processing, or whether (b) the information is known or unimportant and hence requires no readjustment of state, i.e. that it can be treated further with well* Present addresses: D.B. at Psychiat. Dept., V.A. Med. Center, San Francisco CA 94121; H.O. at lab. Physiol. for the Developmentally Handicapped, Ibaraki Univ., Mito, Japan 310; I.P. at Biol09ic Systems Corp., Mundelein Il 60060. ? American Institute of Physics 1988 468 established (?automatic?) strategies. Conscious strategies are slow but flexible (offer wide choice), automatic strategies are fast but rigid. Examples for functional states on a gross scale are wakefulness, drowsin.ss and sleep in adults, or developmental stages as infancy, childhood and adolesc.nce, or drug states induced by alcohol or other psychoactive agent ?? The different states are associated with distinctly different ways of information processing. For example, in normal adults, reality-close, abstracting strategies based on causal relationships predominate during wakefulness, whereas in drowsiness and sleep (dreams), reality-remote, visualizing, associative concatenations of contents are used. Other well-known examples are drug states. HUMAN BRAIN ELECTRIC FIELD DATA AND STATES While alive, the brain produces an ever-changing el.ctromagnetic fi.ld, which very sensitively reflects global and local states as effected by spontaneous activity, incoming information, metabolism, drugs, and diseases. The .lectric component of the brain~s electromagnetic field as non-invasively measured from the intact human scalp shows voltages between 0.1 and 250 microVolts, temporal fr.quencies between 0.1 and 30, 100 or 3000 Hz depending on the examined function, and spatial frequencies up to 0.2 cycles/em. Brain electric field data are traditionally viewed as time series of potential differences betwe.n two scalp locations (the electroencephalogram or EE6). Time series analysis has offered an effective way to class different gross brain functional states, typically using EE6 power spectral values. Differences between power spectra during different gross states typically are greater than between different locations. States of lesser functional complexity such as childhood vs adult states, sleep vs wakefulness, and many drug-state. vs non-drug states tend to increased power in slower frequencies (e.g. 1,4). Time series analyses of epochs of intermediate durations between 30 and 10 seconds have demonstrated (e.g. 1,5,6) that there are significant and reliable relations between spectral power or coh.rency values of EE6 and characteristics of human mentation (reality-close thoughts vs free associations, visual vs non-visual thoughts, po.itive vs negative ~otions). Viewing brain electric field data as series of momentary field maps (7,8) opens the possibility to investigate the temporal microstructure of brain functional states in the sub-second range. The rationale is that the momentary configuration of activated neural elements represents a given brain functional state, and that the spatial pattern of activation is reflected by the momentary brain electric field which is recordable on the scalp as a momentary field map. Different configurations of activation (different field maps) are expected to be associated with different modes, strategies, steps and contents of information processing. 469 SE(J1ENTATI~ OF BRAIN ELECTRIC HAP SERIES INTO STABLE SE(J1ENTS When Viewing brain electric activity as series of maps of momentary potential distributions, changes of functional state are recognizable as changes of the ?electric landscapes? of these maps. Typically, several successive maps show similar landscapes, then quickly change to a new configuration which again tends to persist for a number of successive maps, suggestive of stable states concatenated by non-linear transitions (9,10). Stable map landscapes might be hypothesized to indicate the basic building blocks of information processing in the brain, the -atoms of thoughts?. Thus, the task at hand is the recognition of the landscape configurations; this leads to the adaptive segmentation of time series of momentary maps into segments of stable landscapes during varying durations. We have proposed and used a method which describes the configuration of a momentary map by the locations of its maximal and minimal potential values, thus invoking a dipole model. The goal here is the phenomenological recognition of different momentary functional states using a very limited number of major map features as classifiers, and we suggest conservative interpretion of the data as to real brain locations of the generating processes which always involve millions of neural elements. We have studied (11) map series recorded from 16 scalp locations over posterior skull areas from normal subjects during relaxation with closed eyes. For adaptive segmentation, the maps at the times of maximal map relief were selected for optimal signal/nOise conditions. The locations of the maximal and minimal (extrema) potentials were extracted in each map as descriptors of the landscape; taking into account the basically periodic nature of spontaneous brain electric activity (Fig. 1), extrema locations were treated disregarding polarity information. If over time an extreme left its pre-set spatial window (say, one electrode distance), the segment was terminated. The map series showed stable map configurations for varying durations (Fig. 2), and discontinuous, step-wise changes. Over 6 subjects, resting alpha-type EEG showed 210 msec mean segment duration; segments longer than 323 msec covered 50% of total time; the most prominent segment class (1.5% of all classes) covered 20% of total time (prominence varied strongly over classes; not all possible classes occurred). Spectral power and phase of averages of adaptive and pre-determined segments demonstrated the adequacy of the strategy and the homogeneity of adaptive segment classes by their reduced within-class variance. Segmentation using global map dissimilarity (sum of Euklidian difference vs average reference at all measured points) emulates the results of the extracted-characteristics-strategy. FUNCTIONAL SIGNIFICANCE OF MOMENTARY MICRO STATES Since different maps of momentary EEG fields imply activity of different neural populations, different segment classes must manifest different brain functional states with expectedly different 470 189 to 189 117 to 117 125 to 125 132 to 132 WItS 148 to 148 148 to 148 156 to 156 164 to 164 WItS 171 to 171 179 to 179 RECORD=1 FILE=A:VP3EC2A 187 to 187 195 to 195 WItS NORMAL SUBJECT, EYES CLOSED Fig. 1. Series of momentary potential distribution maps of the brain field recorded from the scalp of a normal human during relaxation with closed eyes. Recording with 21 electrodes (one 5-electrode row added to the 16-electrode array in Fig. 2) using 128 samples/sec/ channel. Head seen from above, left ear left; white positive, dark negative, 8 levels from +32 to -32 microVolts. Note the periodic reversal of field polarity within the about 100 msec (one cycle of the 8-12Hz so-called ?EEG alpha- activity) while the field configuration remains largely constant. - This recording and display was done with a BRAIN ATLAS system (Biologic Systems, Mundelein, Il). effects on ongoing information processing. This was supported by measurements of selective reaction time to acoustic stimuli which were randomly presented to eight subjects during different classes of EEG segments (323 responses for each subject). We found significant reaction time differences over segment classes (ANOVA p smaller than .02), but similar characteristics over subjects. This indicates that the momentary sub-second state as manifest in the potential distribution map significantly influences the behavioral consequence of information reaching the brain. Presentation of information is followed by a sequence of potential distribution maps (Nevent-related potentials? or ERP's, averaged over say, 100 presentations of the same stimulus, see 12). The different spatial configurations of these maps (12) are thought to reflect the sequential stages of information processing associated with Mcomponents? of event-related brain activity (see e.g. 13) which are traditionally defined as times of maximal voltages after information input (maximal response strength). 471 45 '-X_ - - L . ..-7 2 " l / ~~' ~,~.4 : : ~' 3 5 4 ,5 \' .~ ,.,. 55 56 ' 3 ' , 59 'X-_ .l..LU..L/ Fig. 2. Sequence of spatially stable segments durin9 a spontaneous series of momentary EEG maps of 3.1 sec duration in a normal volunteer. Each map shows the occurrence of the extreme potential values durin9 one adaptively determined segment: the momentary maps were searched for the locations of the two extreme potentials; these locations were accumulated, and linearly interpolated between electrodes to construct the present maps. (The number of isofrequency-of-occurrence lines therefore is related to the number of searched maps). - Head seen from above, left ear left, electrode locations indicated by crosses, most forward electrode at vertex. Data FIR filtered to 8-12Hz (alpha EEG). The fi9ure to the left below each map is a running segment number. The figure to the ri9ht above each map multiplied by 50 indicates the segment duration in msec. Application of the adaptive segmentation procedure described above for identification of functional components of event-related brain electric map sequences requires the inclusion of polarity information (14); such adaptive segmentation permits to separate different brain functional states without resortin9 to the strength concept of processing stages. An example (12) might illustrate the type of results obtained with this analysis: Given segments of brain activity which were triggered by visual information showed different map configurations when subjects paid attention vs when they paid no attention to the stimulus, and when they viewed figures vs meanin9less shapes as 472 LVF RVF Fig. 3. Four difference maps, computed as differences between maps obtained during (upper row) perception of a visual -illusionarytriangle figure (left picture) minus a visual non-figure (right) shown to the left and right visual hemi-fields (LVF, RVF) , and obtained during (lower row) attending minus during ignoring the presented display. The analysed segment covered the time from 168 to 200 msec after stimulus presentations. - Mean of 12 subjects. Head seen from above, left ear left, 16 electrodes as in Fig. 2, isopotential contour lines at 0.1 microVolt steps, dotted negative referred to mean of all values. The -illusionary- figure stimulus wa. studied by Kanisza (16); see also (12). - Note that the mirror symmetric configuration of the difference maps for LVF and RVF is found for the -figure- effect only, not for the -attention- effect, but that the anterior-posterior difference is similar for both cases. stimuli. Fig. 3 illustrates such differences in map configuration. The -attention--induced and -figureR-induced changes in map configuration showed certain similarities e.g. in the illustrated segment 168-200 msec after information arrival, supporting the hypothesis that brain mechanisms for figure perception draw on brain resources which in other circumstances are utilized in volontary attention. The spatially homogeneous temporal segments might be basic building blocks of brain information processing, possibly operationalizing consciousness time (15), and offering a common concept for analysis of brain spontaneous activity and event related brain potentials. The functional significance of the segments might be types/ modes/ steps of brain information processing or performance. Identification of related building blocks during different brain functions accordingly could specify brain submechanisms of information treatment. 473 Acknowledgement: Financial support by the Swiss National Science Foundation (including Fellowships to H.O. and I.P.) and by the 8HDO, the Hartmann Muller and the SANDOZ Foundation is gratefully acknowledged. REFERENCES 1. 2. 3. 4. 5. 6. 7. 8. 9. 10. 11. 12. 13. 14. 15. 16. M. Koukkou and D. Lehmann, Brit. J. Psychiat. 142, 221-231 (1983). A. Ohman, In: H.D. Kimmel, E.H. von Olst and J.F. Orlebeke (Eds.), Drug-Discrimination and State Dependent Learning (Academic Press, New York, 1979), pp. 283-318. A. Katada, H. Ozaki, H. Suzuki and K. Suhara, Electroenceph. Clin. Neurophysiol. 52, 192-201 (1981). M. Koukkou and D. Lehmann, BioI. Psychiat. 11, 663-677 (1976). J. Berkhout, D.O. Walter and W.R. Adey, Electroenceph. clin. Neurophysiol. 27, 457-469 (1969). P. Grass, D. Lehmann, B. Meier, C.A. Meier and I. Pal, Sleep Res. 16, 231 (1987). D. Lehmann, Electroenceph. Clin. Neurophysiol. 31, 439-449 {1971). D. Lehmann, In: H.H. Petsche and M.A.B. Brazier (eds.), Synchronization of EEG Activity in Epilepsies (Springer, Wien, 1972), pp. 307-326. H. Haken, Advanced Synergetics (Springer, Heidelberg, 1983). J.J. Wright, R.R. Kydd and G.L. Lees, BioI. Cybern., 1985, 53, 11-17. D. Lehmann, H. Ozaki and I. Pal, Electroenceph. Clin. Neurophysiol. 67, 271-288 (1987). D. Brandeis and D. Lehmann, Neuropsychologia 24, 151-168 (1986). A.S. Gevins, N.H. Morgan, S.L. Bressler, B.A. Cutillo, R.M. White, J. Illes, D.S. Greer, J.C.Doyle and M. Zeitlin, Science 235,580-585 (1987). D. Lehmann and W. Skrandies, Progr. Neurobiol. 23, 227-250 (1984). B. Libet, Human Neurobiol. 1, 235-242 (1982). G. Kanisza, Organization of Vision (Praeger, New York, 1979).
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Encoding Labeled Graphs by Labeling RAAM Alessandro Sperduti* Department of Computer Science Pisa University Corso Italia 40, 56125 Pisa, Italy Abstract In this paper we propose an extension to the RAAM by Pollack. This extension, the Labeling RAAM (LRAAM), can encode labeled graphs with cycles by representing pointers explicitly. Data encoded in an LRAAM can be accessed by pointer as well as by content. Direct access by content can be achieved by transforming the encoder network of the LRAAM into an analog Hopfield network with hidden units. Different access procedures can be defined depending on the access key. Sufficient conditions on the asymptotical stability of the associated Hopfield network are briefly introduced. 1 INTRODUCTION In the last few years, several researchers have tried to demonstrate how symbolic structures such as lists, trees, and stacks can be represented and manipulated in a connectionist system, while still preserving all the computational characteristics of connectionism (and extending them to the symbolic representations) (Hinton, 1990; Plate, 1991; Pollack, 1990; Smolensky, 1990; Touretzky, 1990). The goal is to highlight the potential of the connectionist approach in handling domains of structured tasks. The common background of their ideas is an attempt to achieve distal access and consequently compositionality. The RAAM model, proposed by Pollack (Pollack, 1990), is one example of how a neural network can discover compact recursive "Work partially done while at the International Computer Science Institute, Berkeley. 1125 1126 Sperduti Output Layer Hidden Layer Input Layer Label Figure 1: The network for a general LRAAM. The first layer of the network implements an encoder; the second layer, the corresponding decoder. distributed representations of trees with a fixed branching factor. This paper presents an extension of the RAAM, the Labeling RAAM (LRAAM). An LRAAM allows one to store a label for each component of the structure to be represented, so as to generate reduced representations of labeled graphs. Moreover, data encoded in an LRAAM can be accessed not only by pointer but also by content. In Section 2 we present the network and we discuss some technical aspects of the model. The possibility to access data by content is presented in Section 3. Some stability results are introduced in Section 4, and the paper is closed by discussion and conclusions in Section 5. 2 THE NETWORK The general structure of the network for an LRAAM is shown in Figure 1. The network is trained by backpropagation to learn the identity function. The idea is to obtain a compressed representation (hidden layer activation) of a node of a labeled graph by allocating a part of the input (output) of the network to represent the label (Nl units) and the remaining part to represent one or more pointers. This representation is then used as pointer to the node. To allow the recursive use of these compressed representations, the part of the input (output) layer which represents a pointer must be of the same dimension as the hidden layer (N H units) . Thus, a general LRAAM is implemented by a NJ - N H - NJ feed-forward network, where NJ = Nl + nNH, and n is the number of pointer fields. Labeled graphs can be easily encoded using an LRAAM. Each node of the graph only needs to be represented as a record, with one field for the label and one field for each pointer to a connected node. The pointers only need to be logical pointers, since their actual values will be the patterns of hidden activation of the network. At the beginning of learning, their values are set at random. A graph is represented by a list of these records, and this list constitutes the initial training set for the LRAAM. During training the representations of the pointers are consistently updated according to the hidden activations. Consequently, the training set is dynamic. For example, the network for the graph shown in Figure 2 can be trained as follows: Encoding Labeled Graphs by Labeling RAAM input (Ll (L2 (L3 (L4 (L5 (L6 hidden d n2 d n4 d n5 ) d n3 d n4 nil) d n6 nil nil) d n6 d n3 nil) d n4 d n6 nil) nil nil nil) ---- d~1 d~2 d~3 d~4 d~5 d~6 ---- output (L"1 (L"2 (L"3 (L"4 (L"5 (L~ d"n2 d"n4 d"n5 ) d"n3 d"n4 nil") d"n6 nil" nil") d"n6 d"n3 nil") d"n4 d"n6 nil") nil" nil" nil") where Li and d ni are respectively the label and the pointer (reduced descriptor to the i-th node. For the sake of simplicity, the void pointer is represented by a single symbol, nil, but each instance of it must be considered as being different. This statement will be made clear in the next section. Once the training is complete, the patterns of activation representing pointers can be used to retrieve information. Thus, for example, if the activity of the hidden units of the network is clamped to d n1 , the output of the network becomes (Ll ,dn2 ,dn4 ,dn5 ), enabling further retrieval of information by decoding d n2 , or d n4 , or d n5 , and so on. Note that more labeled graphs can be encoded in the same LRAAM. 2.1 THE VOID POINTER PROBLEM In the RAAM model there is a termination problem in the decoding of a compressed representation: due to approximation errors introduced during decoding, it is not clear when a decoded pattern is a terminal or a nonterminal. One solution is to test for "binary-ness", which consists in checking whether all the values of a pattern are above 1 - T or below T, T > 0, T ? 1. However, a nonterminal may also pass the test for "binary-ness". One advantage of LRAAM over RAAM is the possibility to solve the problem by allocating one bit of the label for each pointer to represent if the pointer is void or not. This works better than fixing a particular pattern for the void pointer, such as a pattern with all the bits to 1 or 0 or -1 (if symmetrical sigmoids are used). Simulations performed with symmetrical sigmoids showed that the configurations with all bits equal to 1 or -1 were also used by non void pointers, whereas the configuration with all bits set to zero considerably reduced the rate of convergence. U sing a part of the label to solve the problem is particularly efficient, since the pointer fields are free to take on any configuration when they are void, and this increases the freedom of the system. To facilitate learning, the output activation of the void pointers in one epoch is used as an input activation in the next epoch. Experimentation showed fast convergence to different fixed points for different void Figure 2: An example of a labeled graph. 1127 1128 Sperduti pointers. For this reason, we claimed that each occurrence of the void pointer is different, and that the nil symbol can be considered as a "don't care" symbol. 2.2 REPRESENTATION OF THE TRAINING SET An important question about the way a graph is represented in the training set is which aspects of the representation itself can make the encoding task harder or easier. In (Sperduti, 1993a) we made a theoretical analysis on the constraints imposed by the representation on the set of weights of the LRAAM, under the hypotheses of perfect learning (zero total error after learning) and linear output units. Our findings were: i) pointers to nodes belonging to the same cycle of length k and represented in the same pointer field p, must be eigenvectors of the matrix (W(p))k, where W(p) is the connection matrix between the hidden layer and the output units representing the pointer field p; ii) confluent pointers, i.e., pointers to the same node represented in the same pointer field p (of different nodes), contribute to reducing the rank of the matrix W(p), the actual rank is however dependent on the constraints imposed by the label field and the other pointer fields. We have observed that different representations of the same structure can lead to very different learning performances. However, representations with roughly the same number of non void pointers for each pointer field, with cycles represented in different pointer fields and with confluent pointers seem to be more effective. 3 ACCESS BY CONTENT Retrieval of coded information is performed in RAAM through the pointers. All the terminals and nonterminals can be retrieved recursively by the pointers to the whole tree encoded in a RAAM. If direct access to a component of the tree is required, the pointer to the component must be stored and used on demand. Data encoded in an LRAAM can also be accessed directly by content. In fact, an LRAAM network can be transformed into an analog Hopfield network with one hidden layer and asymmetric connection matrix by feeding back its output into its input units. 1 Because each pattern is structured in different fields, different access 1 Experimental results have shown that there is a high correlation between elements of (the set of weights from the input to the hidden layer) and the corresponding elements in W(o)T (the set of weights from the hidden to the output layer). This is particularly true for weights corresponding to units of the label field. Such result is not a total surprise, since in the case of a static training set, the error function of a linear encoder network has been proven to have a unique global minimum corresponding to the projection onto the subspace generated by the first principal vectors of a covariance matrix associated with the training set (Baldi & Hornik, 1989). This implies that the weights matrices are transposes of each other unless there is an invertible transformation between them (see also (Bourlard & Kamp, 1988)) . W(h) Encoding Labeled Graphs by Labeling RAAM n2=.-r..~= n5 =100=00=-==.=1.1 n9 nlO ~IQl R",.~.=. nl4 /n15 \ 101??101.1. 1 O~.=lctJ~.= I.1 Figure 3: The labeled graph encoded in a 16-3-16 LRAAM (5450 epochs), and the labeled tree encoded in a 18-6-18 LRAAM (1719 epochs). procedures can be defined on the Hopfield network according to the type of access key. An access procedure is defined by: 1. choosing one or more fields in the input layer according to the access key(s); 2. clamping the output of such units to the the access key(s); 3. setting randomly the output of the remaining units in the network; 4. letting the remaining units of the network to relax into a stable state. A validation test of the reached stable state can be performed by: 1. unfreezing the clamped units in the input layer; 2. if the stable state is no longer stable the result of the procedure is considered wrong and another run is performed; 3. otherwise the stable state is considered a success. This validation test, however, sometimes can fail to detect an erroneous retrieval (error) because of the existence of spurious stable states that share the same known information with the desired one. The results obtained by the access procedures on an LRAAM codifying the graph and on an LRAAM codifying the tree shown in Figure 3 are reported in Table 1. For each procedure 100 trials were performed. The "mean" column in the table reports the mean number of iterations employed by the Bopfield network to converge. The access procedure by outgoing pointers was applied only for the tree. It can be seen from Table 1 that the performances of the access procedures were high for the graph (no errors and no wrong retrievals), but not so good for the tree, in particular for the access by label procedure, due to spurious memories. It is interesting to note that the access by label procedure is very efficient for the leaves of the tree. This feature can be used to build a system with two identical networks, one accessed by pointer and the other by content. The search for a label proceeds simultaneously into the two networks. The network accessed by pointer will be very fast to respond when the label is located on a node at lower levels of the tree, and the network accessed by content will be able to respond correctly and very fast "2 when the label is located on a node at higher levels of the tree. 2 Assuming an analog implementation of the Hopfield network. 1129 1130 Sperduti GRAPH: Access by Label key(s) success wrong error mean 100% 7.35 0% 0% io 100% 0% 0% 36.05 i1 6.04 100% 0% 0% i2 100% 0% 0% 3.99 i3 23.12 100% 0% 0% i4 18.12 100% 0% 0% 15 29.26 100% 0% 0% i6 TREE: Access by Children Pointers (d1 , d 2) 49% 51% 0% 6.29 10% 90% 0% 8.55 (d3,d4) 40% 12.48 60% 0% (d5, d6) 78% 22% 0% 6.57 (d7 , ds) (d 9 , d lO ) 6.22 91% 9% 0% d~~) 14.01 14% 86% 0% (d 12 ,d 13 ) 14% 86% 0% 7.87 6.07 28% 72% 0% ld 14, d 15 ) (*) one pointer key io it i2 i3 i4 15 16 i7 is i9 11O III lt2 it3 114 115 TREE: Access by Label success wrong error mean 16.48 100% 0% 0% 14.57 94% 6% 0% 16.92 47% 53% 0% 100% 0% 18.07 0% 32.64 97% 3% 0% 16.03 100% 0% 0% 27.50 49% 51% 0% 27.10 42% 0% 58% 57% 43% 0% 62.45 20% 80% 14.75 0% 19.11 100% 0% 0% 10.83 0% 100% 0% 19.12 100% 0% 0% 23.87 29% 0% 71% 0% 12.09 100% 0% 13.11 0% 100% 0% Table 1: Results obtained by the access procedures. 4 STABILITY RESULTS In the LRAAM model two stability problems are encountered. The first one arises when considering the decoding of a pointer along a cycle of the encoded structures. Since the decoding process suffers, in general, of approximation errors, it may happen that the decoding diverges from the correct representations of the pointers belonging to the cycle. Thus, it is fundamental to discover under which conditions the representations obtained for the pointers are asymptotically stable with respect to the pointer transformation. In fact, if the representations are asymptotically stable, the errors introduced by the decoding function are automatically corrected. The following theorem can be proven (Sperduti, 1993b): Theorem 1 A decoding sequence l(i;+I) = F(p';)(l(iJ?), j = 0, .. . ,L (1) with l(iL+d = l(t o ) , satisfying m L Ibikl < 1, i = 1, ... ,m (2) k=l for some index Pi'l' q = 0, ... , L, is asymptotically stable, where btk is the (i, k) th element of a matrix B, given by B = J(P"I) (l( i'l) )J(P"I-l ) (l( i'l_ J)) ... J(p'{J) (l( io) )J(p, L \ l(iL?) ... J(P"I+l ) (d (i'l+d). In the statement of the theorem, F(p;) (l) = F(D(p; )l+~;?) is the transformation of the reduced descriptor (pointer) d by the pointer field Pj, and J(pJ)(l) is its Encoding Labeled Graphs by Labeling RAAM Jacobian matrix. As a corollary of this theorem we have that if at least one pointer belonging to the cycle has saturated components, then the cycle is asymptotically stable with respect to the decoding process. Moreover, the theorem can be applied with a few modifications to the stability analysis of the fixed points of the associated Hopfield network. The second stability problem consists into the discovering of sufficient conditions under which the property of asymptotical stability of a fixed point in one particular constrained version of the associated Hopfield network, i.e., an access procedure, can be extended to related fixed points of different constrained versions of it, i.e., access procedures with more information or different information. The result of Theorem 1 was used to derive three theorems regarding this issue (see (Sperduti, 1993b) ). 5 DISCUSSION AND CONCLUSIONS The LRAAM model can be seen from various perspectives. It can be considered as an extension of the RAAM model, which allows one to encode not only trees with information on the leaves, but also labeled graphs with cycles. On the other hand, it can be seen as an approximate method to build analog Hopfield networks with a hidden layer. An LRAAM is probably somewhere in between. In fact, although it extends the representational capabilities of the RAAM model, it doesn't possess the same synthetic capabilities as the RAAM, since it explicitly uses the concept of pointer. Different subsets of units are thus used to codify labels and pointers. In the RAAM model, using the same set of units to codify labels and reduced representations is a more natural way of integrating a previously developed reduced descriptor as a component of a new structure. In fact, this ability was Pollack's original rationale behind the RAAM model, since with this ability it is possible to fill a linguistic role with the reduced descriptor of a complex sentence. In the LRAAM model the same target can be reached, but less naturally. There are two possible solutions. One is to store the pointer of some complex sentence (or structure, in general), which was previously developed, in the label of a new structure. The other solution would be to have a particular label value which tells us that the information we are looking for can be retrieved using one conventional or particular pointer among the current ones. An issue strictly correlated with this is that, even if in an LRAAM it is possible to encode a cycle, what we get from the LRAAM is not an explicit reduced representation of the cycle, but several pointers to the components of the cycle forged in such a way that the information on the cycle is only represented implicitly in each of them. However, the ability to synthesize reduced descriptors for structures with cycles is what makes the difference between the LRAAM and the RAAM. The only system that we know of which is able to represent labeled graphs is the DUAL system proposed by Dyer (Dyer, 1991). It is able to encode small labeled graphs representing relationships among entities. However, the DUAL system cannot be considered as being on the same level as the LRAAM, since it devises a reduced representation of a set of functions relating the components of the graph rather than a reduced representation for the graph. Potentially also Holographic Reduced Representations (Plate, 1991) are able to encode cyclic graphs. 1131 1132 Sperduti The LRAAM model can also be seen as an extension of the Hopfield networks philosophy. A relevant aspect of the use of the Hopfield network associated with an LRAAM, is that the access procedures defined on it can efficiently exploit subsets of the weights. In fact, their use corresponds to generating several smaller networks from a large network, one for each kind of access procedure, each specialized on a particular feature of the stored data. Thus, by training a single network, we get several useful smaller networks. In conclusion an LRAAM has several advantages over a standard RAAM. Firstly, it is more powerful, since it allows to encode directed graphs where each node has a bounded number of outgoing arcs. Secondly, an LRAAM allows direct access to the components of the encoded structure not only by pointer, but also by content. Concerning the applications where LRAAMs can be exploited, we believe there are at least three possibilities: in knowledge representation, by encoding Conceptual Graphs (Sowa, 1984); in unification, by representing terms in restricted domains (Knight, 1989); in image coding, by storing Quadtrees (Samet, 1984); References P. Baldi & K. Hornik. (1989) Neural networks and principal component analysis: Learning from examples without local minima. Neural Networks, 2:53-58. H. Bourlard & Y. Kamp. (1988) Auto-association by multilayer perceptrons and singular value decomposition. Biological Cybernetics, 59:291-294. M. G. Dyer. (1991) Symbolic NeuroEngineering for Natural Language Processing: A Multilevel Research Approach., volume 1 of Advances in Connectionist and Neural Computation Theory, pages 32-86. Ablex. G. E. Hinton. (1990) Mapping part-whole hierarchies into connectionist networks. A rtificial Intelligence, 46:47-75. K. Knight. 21:93-124. (1989) Unification: A multidisciplinary survey. A CM Computing Surveys, T. Plate. (1991) Holographic reduced representations. Technical Report CRG-TR-91-1, Department of Computer Science, University of Toronto. J. B. Pollack. (1990) Recursive distributed representations. Artificial Intelligence, 46(12):77-106. H. Samet. (1984) The quadtree and related hierarchical data structures. A CM Computing Surveys, 16:187-260. P. Smolensky. (1990) Tensor product variable binding and the representation of symbolic structures in connectionist systems. Artificial Intelligence, 46:159-216. J.F. Sowa. (1984) Conceptual Structures: Information Processing in Mind and Machine. Addison-Wesley. A. Sperduti. (1993a) Labeling RAAM. TR 93-029, ICSI, Berkeley. A. Sperduti. (1993b) On some stability properties of the LRAAM model. TR 93-031, ICSI, Berkeley. D. S. Touretzky. (1990) Boltzcons: Dynamic symbol structures in a connectionist network. A rtificial Intelligence, 46:5-46. PART XI ADDENDA TO NIPS 5
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SPEAKER RECOGNITION USING NEURAL TREE NETWORKS Kevin R. Farrell and Richard J. Marnrnone CAIP Center, Rutgers University Core Building, Frelinghuysen Road Piscataway, New Jersey 08855 Abstract A new classifier is presented for text-independent speaker recognition. The new classifier is called the modified neural tree network (MNTN). The NTN is a hierarchical classifier that combines the properties of decision trees and feed-forward neural networks. The MNTN differs from the standard NTN in that a new learning rule based on discriminant learning is used, which minimizes the classification error as opposed to a norm of the approximation error. The MNTN also uses leaf probability measures in addition to the class labels. The MNTN is evaluated for several speaker identification experiments and is compared to multilayer perceptrons (MLPs) , decision trees, and vector quantization (VQ) classifiers. The VQ classifier and MNTN demonstrate comparable performance and perform significantly better than the other classifiers for this task. Additionally, the MNTN provides a logarithmic saving in retrieval time over that of the VQ classifier. The MNTN and VQ classifiers are also compared for several speaker verification experiments where the MNTN is found to outperform the VQ classifier. 1 INTRODUCTION Automatic speaker recognition consists of having a machine recognize a person based on his or her voice. Automatic speaker recognition is comprised of two categories: speaker identification and speaker verification. The objective of speaker identification is to identify a person within a fixed population based on a test utterance from that person. This is contrasted to speaker verification where the objective is to verify a person's claimed identity based on the test utterance. 1035 1036 Farrell and Mammone Speaker recognition systems can be either text dependent or text independent. Text-dependent speaker recognition systems require that the speaker utter a specific phrase or a given password. Text-independent speaker identification systems identify the speaker regardless of the utterance. This paper focuses on text-independent speaker identification and speaker verification tasks. A new classifier is introduced and evaluated for speaker recognition. The new classifier is the modified neural tree network (MNTN). The MNTN incorporates modifications to the learning rule of the original NTN [1] and also uses leaf probability measures in addition to the class labels. Also, vector quantization (VQ) classifiers, multilayer perceptrons (MLPs), and decision trees are evaluated for comparison. This paper is organized as follows. Section 2 reviews the neural tree network and discusses the modifications. Section 3 discusses the feature extraction and classification phases used here for text-independent speaker recognition. Section 4 describes the database used and provides the experimental results. The summary and conclusions of the paper are given in Section 5. 2 THE MODIFIED NEURAL TREE NETWORK The NTN [1] is a hierarchical classifier that uses a tree architecture to implement a sequential linear decision strategy. Each node at every level of the NTN divides the input training vectors into a number of exclusive subsets of this data. The leaf nodes of the NTN partition the feature space into homogeneous subsets, i.e., a single class at each leaf node. The NTN is recursively trained as follows. Given a set of training data at a particular node, if all data within that node belongs to the same class, the node becomes a leaf. Otherwise, the data is split into several subsets, which become the children of this node. This procedure is repeated until all the data is completely uniform at the leaf nodes. For each node the NTN computes the inner product of a weight vector wand an input feature vector x, which should be approximately equal to the the output label y E {O,1}. Traditional learning algorithms minimize a norm of the error ? = (y- < w, x ?, such as the L2 or L1 norm. The splitting algorithm of the modified NTN is based on discriminant learning [2]. Discriminant learning uses a cost function that minimizes the classification error. For an M class NTN, the discriminant learning approach first defines a misclassification measure d( x) as [2]: d( x) = - < Wi, X > + { M ~ 1 I) < 1 Wj, x >t }n , (1) jf;i where n is a predetermined smoothing constant. If x belongs to class i, then d(x) will be negative, and if x does not belong to class i, d( x) will be positive. The misclassification measure d( x) is then applied to a sigmoid to yield: g[d(x)] = 1 + e-1 d( x ). (2) The cost function in equation (2) is approximately zero for correct classifications and one for misclassifications. Hence, minimizing this cost function will tend to Speaker Recognition Using Neural Tree Networks , \??,~,o \ 0 0 0 1 0./ , 1 ~/ .', ..... o~/ ............. .--;r~ 1 o LABEL=O CONFIDENCE c 1.0 \1 ... 1 \ o ... 1 .... 1 0\ '. 1 ... 0 1 "... 1 '. LABEL= 1 CONFIDENCE = 0.6 '. \\. LABEL = 0 CONFIDENCE c 0.8 LABEL = 1 CONFIDENCE = 0.7 Figure 1: Forward Pruning and Confidence Measures mmlmize the classification error. It is noted that for binary NTNs, the weight updates obtained by the discriminant learning approach and the Ll norm of the error are equivalent [3]. The NTN training algorithm described above constructs a tree having 100% performance on the training set. However, an NTN trained to this level may not have optimal generalization due to overtraining. The generalization can be improved by reducing the number of nodes in a tree, which is known as pruning. A technique known as backward pruning was recently proposed [1] for the NTN. Given a fully grown NTN, i.e., 100% performance on the training set, the backward pruning method uses a Lagrangian cost function to minimize the classification error and the number of leaves in the tree. The method used here prunes the tree during its growth, hence it is called forward pruning. The forward pruning algorithm consists of simply truncating the growth of the tree beyond a certain level. For the leaves at the truncated level, a vote is taken and the leaf is assigned the label of the majority. In addition to a label, the leaf is also assigned a confidence. The confidence is computed as the ratio of the number of elements for the vote winner to the total number of elements. The confidence provides a measure of confusion for the different regions of feature space. The concept of forward pruning is illustrated in Figure 1. 3 FEATURE EXTRACTION AND CLASSIFICATION The process of feature extraction consists of obtaining characteristic parameters of a signal to be used to classify the signal. The extraction of salient features is a key step in solving any pattern recognition problem. For speaker recognition, the features extracted from a speech signal should be invariant with regard to the desired 1037 1038 Farrell and Mammone Speaker 1 yl i ,----.. (NTN, VQ r--=--. Codebook) Speaker 2 y2 i (NTN, VQ ..:.-=-. Decision Codebook) Feature Xi Vector ? Speaker Identity or Authenticity ? ? ~ Speaker N (NTN, VQ Codebook) yN i r:----=-- Figure 2: Classifier Structure for Speaker Recognition speaker while exhibiting a large distance to any imposter. Cepstral coefficients are commonly used for speaker recognition [4] and shall be considered here to evaluate the classifiers. The classification stage of text-independent speaker recognition is typically implemented by modeling each speaker with an individual classifier. The classifier structure for speaker recognition is illustrated in Figure 2. Given a specific feature vector, each speaker model associates a number corresponding to the degree of match with that speaker. The stream of numbers obtained for a set of feature vectors can be used to obtain a likelihood score for each speaker model. For speaker identification, the feature vectors for the test utterance are applied to all speaker models and the corresponding likelihood scores are computed. The speaker is selected as having the largest score. For speaker verification, the feature vectors are applied only to the speaker model for the speaker to be verified. If the likelihood score exceeds a threshold, the speaker is verified or else is rejected. The classifiers for the individual speaker models are trained using either supervised or unsupervised training methods. For supervised training methods the classifier for each speaker model is presented with the data for all speakers. Here, the extracted feature vectors for that speaker are labeled as "one" and the extracted feature vectors for everyone else are labeled as "zero" . The supervised classifiers considered here are the multilayer perceptron (MLP), decision trees, and modified neural tree network (MNTN). For unsupervised training methods each speaker model is presented with only the extracted feature vectors for that speaker. This data can then be clustered to determine a set of centroids that are representative of that speaker. The unsupervised classifiers evaluated here are the full-search and treestructure vector quantization classifiers, henceforth denoted as FSVQ and TSVQ . Speaker models based on supervised training capture the differences of that speaker to other speakers, whereas models based on unsupervised training use a similarity measure. Specifically, a trained NTN can be applied to speaker recognition as follows. Given a sequence of feature vectors x from the test utterance and a trained NTN for Speaker Recognition Using Neural Tree Networks speaker Si, the corresponding speaker score is found as the "hit" ratio: (3) Here. M is the number of vectors classified as "one" and N is the number of vectors classified as "zero" . The modified NTN computes a hit ratio weighed by the confidence scores: ",M PMNTN(xISi) = 1 L..Jj=l Cj ",N 0 ",M l' L..JJ=l Cj L..JJ=l cj (4) + where c 1 and cO are the confidence scores for the speaker and antispeaker, respectively. These scores can be used for decisions regarding identification or verification. 4 4.1 EXPERIMENTAL RESULTS Database The database considered for the speaker identification and verification experiments is a subset of the DARPA TIMIT database. This set represents 38 speakers of the same (New England) dialect. The preprocessing of the TIMIT speech data consists of several steps. First, the speech is downsampled from 16KHz to 8 KHz sampling frequency. The downsampling is performed to obtain a toll quality signal. The speech data is processed by a silence removing algorithm followed by the application of a pre-emphasis filter H(z) = 1-0.95z- 1 . A 30 ms Hamming window is applied to the speech every 10 ms. A twelfth order linear predictive (LP) analysis is performed for each speech frame. The features consist of the twelve cepstral coefficients derived from this LP polynomial. There are 10 utterances for each speaker in the selected set. Five of the utterances are concatenated and used for training. The remaining five sentences are used individually for testing. The duration of the training data ranges from 7 to 13 seconds per speaker and the duration of each test utterance ranges from 0.7 to 3.2 seconds. 4.2 Speaker Identification The first experiment is for closed set speaker identification using 10 and 20 speakers from the TIMIT New England dialect. The identification is closed set in that the speaker is assumed to be one of the 10 or 20 speakers, i.e., no "none of the above" option. The NTN, MLP [5], and VQ [4] classifiers are each evaluated on this data in addition to the ID3 [6], C4 [7], CART [8], and Bayesian [9] decision trees. The VQ classifier is trained using a K-means algorithm and tested for codebook sizes varying from 16 to 128 centroids. The MNTN used here is pruned at levels ranging from the fourth through seventh. The MLP is trained using the backpropagation algorithm [10] for architectures having 16, 32, and 64 hidden nodes (within one hidden layer). The results are summarized in Table 1. The * denotes that the CART tree could not be grown for the 20 speaker experiment due to memory limitations. 1039 1040 Farrell and Mammone Classifier ID3 CART C4 Table 1: Speaker Identification Experiments 4.3 Speaker Verification The FSVQ classifier and MNTN are evaluated next for speaker verification. The first speaker verification experiment consists of 10 speakers and 10 imposters (i.e., people not used in the training set). The second speaker verification experiment uses 20 enrolled speakers and 18 imposters. The MNTN is pruned at the seventh level (128 leaves) and the FSVQ classifier has a codebook size of 128 entries. Speaker verification performance can be enhanced by using a technique known as cohort normalization [11]. Traditional verification systems accept a speaker if: p(XII) > T(I), (5) where p( X II) is the likelihood that the sequence of feature vectors X was generated by speaker I and T( I) is the corresponding likelihood threshold. Instead of using the fixed threshold criteria in equation (5), an adaptive threshold can be used via the likelihood measure: P(XII) T(I). P(XII) > (6) Here, the speaker score is first normalized by the probability that the feature vectors X were generated by a speaker other than I. The likelihood p(XII) can be estimated with the scores of the speaker models that are closest to I, denoted as 1's cohorts [11]. This estimate can consist of a maximum, minimum, average, etc., depending on the classifier used. The threshold for the VQ and MNTN likelihood scores are varied from the point of 0% false acceptance to 0% false rejection to yield the operating curves shown in Figures 3 and 4 for the 10 and 20 speaker populations, respectively. Note that all operating curves presented in this section for speaker verification represent the posterior performance of the classifiers, given the speaker and imposter scores. Here it can be seen that the MNTN and VQ classifiers are both improved by the cohort normalized scores. The equal error rates for the MNTN and VQ classifier are summarized in Table 2. For both experiments (10 and 20 speakers), the MNTN provides better performance than the VQ classifier, both with and without cohort normalization, for most of the operating curve. Speaker Recognition Using Neural Tree Networks MNTN 10 Speakers 20 Speakers Table 2: Equal error rates for speaker verification Speaker Verification (10 speakers) 0.35r----~-----r---_r_---..___--___,---_, - -_ .. ..... ...:............ .. .. :.......... ... ...:...... ....... ...;......... ....... ;....... ...... . ? ? ? . I ~ ? ? -+ ? va .~ -. va. ...with cohort . ... . ... ..... ??....... - .. . ... ' :.:' .... ...... .......::.......... ..:..... ....... ... . .. ..... ..... . . ... .. .. . . . . .. , ~ _ ~ " (]) Vl ~ 0.15 CL 0.1 0.05 0.01 0.02 0.03 0.04 P(Falsa Accept} 0.05 0.06 Figure 3: Speaker Verification (10 Speakers) Speaker Verification (20 speakers) 0.45,------r----.---_r_---..------,-----, 0 .4 ... ..... . .. ... : .. ..... .. . __... . ; ... ....... ..... ;.... .. ..... .. . -. ~ - .- .... .. ...... : .... ...... .... . ... ... .. .... ." , ., . . . . ....... .... .. ..;. .. .. .. .. ... .... : ... ..... .... ... ,.. .... ?? ???? ????:? ????? ??? ???? ??? i?????? ?? ?? ?? ?? : ~ : -+ va ~ : ??, . 0.35 : -.. va with cohort 0.3 i' .... ??.. .. .. ::.......... ?.. ?.. :: ...... .. ? .. ? .. ?:?? ............ f.............. ?~:.. ?.. ?? ....... . MNTN , . ?f.. ?.... ?? .. ??.. ~? ::?MNI~?1i!~..~~.9n? ? ?i ?? ? ??? ...... ??? 0.25 ~: .. .. n. 1 . . . -. ?: .: .: ????????j? .. ?????? ...... . 0.1 ... .... - . .. ..... . -_ ... , .;. . ..... . . ... . .. 0.05 -.~ ?? .... .......... . .. ~ oL-----~~~~~--~--~~====~~--~ o 0.02 0.04 0.06 0.08 P(Faisa Accept) 0.1 Figure 4: Speaker Verification (20 Speakers) 0.12 1041 1042 Farrell and Mammone 5 CONCLUSION A new classifier called the modified NTN is examined for text-independent speaker recognition. The performance of the MNTN is evaluated for several speaker recognition experiments using various sized speaker sets from a 38 speaker corpus. The features used to evaluate the classifiers are the LP-derived cepstrum. The MNTN is compared to full-search and tree-structured VQ classifiers, multi-layer perceptrons, and decision trees. The FSVQ and MNTN classifiers both demonstrate equivalent performance for the speaker identification experiments and outperform the other classifiers. For speaker verification, the MNTN consistently outperforms the FSVQ classifier. In addition to performance advantages for speaker verification, the MNTN also demonstrates a logarithmic saving in retrieval time over that of the FSVQ classifier . This computational advantage can be obtained by using TSVQ, although TSVQ will reduce the performance with respect to FSVQ. 6 ACKNOWLEDGEMENTS The authors gratefully acknowledge the support of Rome Laboratories, Contract No. F30602-91-C-OI20. The decision tree simulations utilized the IND package developed by W. Buntine of NASA. References [1] A. Sankar and R.J. Mammone. Growing and pruning neural tree networks. IEEE Transactions on Computers, C-42:221-229, March 1993. [2] S. Katagiri, B.H J uang, and A. Biemo Discriminative feature extraction. In Artificial Neural Networks for Speech and Vision Processing , edited by R.J. Mammone. Chapman and Hall, 1993. [3] K.R. Farrell. Speaker Recognition Using the Modified Neural Tree Network. PhD thesis, Rutgers University, Oct. 1993. [4] F.K. Soong, A.E. Rosenberg, L.R. Rabiner, and B.H. Juang. A vector quantization approach to speaker recognition. In Proceedings ICASSP, 1985. [5] J. Oglesby and J .S. Mason. Optimization of neural models for speaker identification. In Proceedings ICASSP, pages 261-264, 1990. [6] J. Quinlan. Induction of decision trees. Machine Learning, 1:81-106, 1986. [7] J. Quinlan. Simplifying decision trees in Knowledge Acquisition for K now ledgeBased Systems, by G. Gaines and J. Boose. Academic Press, London, 1988. [8] 1. Breiman, J .H. Friedman, R.A. Olshen, and C.J. Stone. Classification and Regression Trees. Wadsworth international group, Belmont, CA, 1984. [9] W. Buntine. Learning classification trees. Statistics and Computing, 2:63-73, 1992. [10] D.E. Rumelhart and J .L. McClelland. Parallel Distributed Processing. MIT Cambridge Press, Cambridge, Ma, 1986. [11] A.E. Rosenberg, J. Delong, C.H. Lee, B.H. Juang, and F.K. Soong. The use of cohort normalized scores for speaker recognition. In Proc. ICSLP, Oct. 1992.
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Non-linear Statistical Analysis and Self-Organizing Hebbian Networks Jonathan L. Shapiro and Adam Priigel-Bennett Department of Computer Science The University, Manchester Manchester, UK M139PL Abstract Neurons learning under an unsupervised Hebbian learning rule can perform a nonlinear generalization of principal component analysis. This relationship between nonlinear PCA and nonlinear neurons is reviewed. The stable fixed points of the neuron learning dynamics correspond to the maxima of the statist,ic optimized under nonlinear PCA. However, in order to predict. what the neuron learns, knowledge of the basins of attractions of the neuron dynamics is required. Here the correspondence between nonlinear PCA and neural networks breaks down. This is shown for a simple model. Methods of statistical mechanics can be used to find the optima of the objective function of non-linear PCA. This determines what the neurons can learn. In order to find how the solutions are partitioned amoung the neurons, however, one must solve the dynamics. 1 INTRODUCTION Linear neurons learning under an unsupervised Hebbian rule can learn to perform a linear statistical analysis ofthe input data. This was first shown by Oja (1982), who proposed a learning rule which finds the first principal component of the variance matrix of the input data. Based on this model, Oja (1989), Sanger (1989), and many others have devised numerous neural networks which find many components of this matrix. These networks perform principal component analysis (PCA), a well-known method of statistical analysis. 407 408 Shapiro and Priigel-Bennett Since PCA is a form of linear analysis, and the neurons used in the PCA networks are linear - the output of these neurons is equal to the weighted sum of inputs; there is no squashing function of sigmoid - it is obvious to ask whether non-linear Hebbian neurons compute some form of non-linear PCA? Is this a useful way to understand the performance of the networks? Do these networks learn to extract features of the input data which are different from those learned by linear neurons? Currently in the literature, the phrase "non-linear PCA" is used to describe what is learned by any non-linear generalization of Oja neurons or other PCA networks (see for example, Oja, 1993 and Taylor, 1993). In this paper, we discuss the relationship between a particular form of non-linear Hebbian neurons (Priigel-Bennett and Shapiro, 1992) and a particular generalization of non-linear PCA (Softky and Kammen 1991). It is clear that non-linear neurons can perform very differently from linear ones. This has been shown through analysis (Priigel-Bennett and Shapiro, 1993) and in application (Karhuenen and Joutsensalo, 1992). It can also be very useful way of understanding what the neurons learn. This is because non-linear PCA is equivalent to maximizing some objective function. The features that this extracts from a data set can be studied using techniques of statistical mechanics. However, non-linear PCA is ambiguous because there are multiple solutions. What the neuron can learn is given by non-linear PCA. The likelihood of learning the different solutions is governed by the dyanamics chosen to implement non-linear PCA, and may differ in different implementations of the dynamics. 2 NON-LINEAR HEBBIAN NEURONS Neurons with non-linear activation functions can learn to perform very different tasks from those learned by linear neurons. Nonlinear Hebbian neurons have been analyzed for general non-linearities by Oja (1991), and was applied to sinusoidal signal detection by Karhuenen and Joutsensalo (1992). Previously, we analysed a simple non-linear generalization of Oja's rule (PriigelBennett and Shapiro, 1993). We showed how the shape of the neuron activation function can control what a neuron learns. Whereas linear neurons learn to a statistic mixture of all of the input patterns, non-linear neurons can learn to become tuned to individual patterns, or to small clusters of closely correlated patterns. In this model, each neuron has weights, Wi is the weight from the ith input, and responds to the usual sum of input times weights through an activation function A(y). This is assumed a simple power-law above a threshold and zero below it. I.e. (1) Here ? is the threshold, b controls the power of the power-law, xf is the ith component of the pth pattern, and VP = Li xf Wi. Curves of these functions are shown in figure laj if b = 1 the neurons are threshold-linear. For b > 1 the curves can be thought of as low activation approximations to a sigmoid which is shown in figure 1b. The generalization of Oja's learning rule is that the change in the weights 8Wi Non-Linear Statistical Analysis and Self-Organizing Hebbian Networks Neuron Activation Function A Sigmoid Activation Function b>1 b<1 ? psp Figure 1: a) The form of the neuron activation function. Control by two parameters band <p. When b > 1, this activation function approximates a sigmoid, which is shown in b) . is given by 6Wi = LA(VP) [xf - VP Wi ] . (2) P If b < 1, the neuron learns to average a set of patterns. If b = 1, the neuron finds the principal component of the pattern set. When b > 1, the neuron learns to distinguish one of the patterns in the presence of the others, if those others are not too correlated with the pattern. There is a critical correlation which is determined by b; the neuron learns to individual patterns which are less correlated than the critical value, but learns to something like the center of the cluster if the patterns are more correlated. The threshold controls the size of the subset of patterns which the neuron can respond to. For these neurons, the relationship between non-PCA and the activation function was not previously discussed. That is done in the next section. 3 NON-LINEAR peA A non-linear generalization of PCA was proposed by Softky and Kammen (1991). In this section, the relationship between non-linear PCA and unsupervised Hebbian learning is reviewed. 409 410 Shapiro and Priigel-Bennett 3.1 WHAT IS NON-LINEAR PCA The principal component of a set of data is the direction which maximises the variance. I.e. to find the principal component of the data set, find the vector tV of unit length which maximises (3) Here, Xi denotes the ith component of an input pattern and < .. . > denotes the average over the patterns. Sofky and Kammen suggested that an appropriate generalization is to find the vector tV which maximizes the d-dimensional correlation, (4) They argued this would give interesting results if higher order correlations are important, or ifthe shape ofthe data cloud is not second order. This can be generalized further, of course, maximizing the average of any non-linear function of the input U(y), (5) The equations for the principal components are easily found using Lagrange multipliers. The extremal points are given by < U' (1: >= AWi. These points will be (local) maxima if the Hessian 1lij, WkXk )Xi (6) k 1lij =< U"(I: WkXk)XiXj > -ADij, (7) k Here, A is a Lagrange multiplier chosen to make 3.2 Iwl 2 = 1. NEURONS WHICH LEARN PCA A neuron learning via unsupervised Hebbian learning rule can perform this optimization. This is done by associating Wi with the weight from the ith input to the neuron, and the data average < . > as the sum over input patterns xf. The nonlinear function which is optimized is determined by the integral of the activation function of the neuron A(y) = U'(y). In their paper, Softky and Kammen propose a learning rule which does not perform this optimization in general. The correct learning rule is a generalization of Oja's rule (equation (2) above), in this notation, (8) Non-Linear Statistical Analysis and Self-Organizing Hebbian Networks This fixed points of this dynamical equation will be solutions to the extremal equation of nonlinear peA, equation (6), when the a.'3sociations A = (A(V)V) , and A(y) = U'(y) are made. Here (.) is interpreted as sum over patterns; this is batch learning. The rule can also be used incrementally, but then the dynamics are stochastic and the optimization might be performed only on average, and then maybe only for small enough learning rates. These fixed points will be stable when the Hessian ll i j is negative definite at the fixed point. This is now, which is the same as the previous, equation (7),in directions perpendicular to the fixed point, but contains additional terms in direction of the fixed point which normalize it. The neurons described in section 2 would perform precisely what Softky and Kammen proposed if the activation function was pure power-law and not thresholded; as it is they maximize a more complicated objective function. Since there is a one to one correspondence between the stable fixed points of the dynamics and the local maxima of the non-linear correlation measure, one says that these non-linear neurons compute non-linear peA. 3.3 THEORETICAL STUDIES OF NONLINEAR PCA In order to understand what these neurons learn, we have studied the networks learning on model data drawn from statistical distributions. For very dense clusters p ~ 00, N fixed, the stable fixed point equations are algebraic. In a few simple cases they can be solved. For example, if the data is Gaussian or if the data cloud is a quadratic cloud (a function of a quadratic form), the neuron learns the principal component, like the linear neuron. Likewise, if the patterns are not random, the fixed point equations can be solved in some cases. For large number of patterns in high dimensions fluctuations in the data are important (N and P goes to 00 together in some way). In this case, methods of statistical mechanics can be used to average over the data. The objective function of the non-linear peA acts as (minus) the energy in statistical mechanics. The free energy is formally, F =< IOg(D. JOf, 6 (t wl- I) exp (3U(V) > . (10) In the limit that f3 is large, this calculation finds the local maxima of U. In this form of analysis, the fact that the neuron optimizes an objective function is very important. This technique was used to produce the results outlined in section 2. 411 412 Shapiro and Priigel-Bennett 3.4 WHAT NON-LINEAR peA FAILS TO REVEAL In the linear peA, there is one unique solution, or if there are many solutions it is because the solutions are degenerate. However, for the non-linear situation, there are many stable fixed points of the dynamics and many local maxima of the non-linear correlation measure. This has two effects. First, it means that you cannot predict what the neuron will learn simply by studying fixed point equations. This tells you what the neuron might learn, but the probability that this solution will be can only be ascertained if the dynamics are understood. This also breaks the relationship between non-linear peA and the neurons, because, in principle, there could be other dynamics which have the same fixed point structure, but do not have the same basins of attraction. Simple fixed point analysis would be incapable of predicting what these neurons would learn. 4 PARTITIONING An important question which the fixed-point analysis, or corresponding statistical mechanics cannot address is: what is the likelihood of learning the different solutions? This is the essential ambiguity of non-linear peA - there are many solutions and the size of the basin of attractions of each is determined by the dynamics, not by local maxima of the nonlinear correlation measure. As an example, we consider the partitioning of the neurons described in section 2. These neurons act much like neurons in competitive networks, they become tuned to individual patterns or highly correlated clusters. Given that the density of patterns in the input set is p(i), what is the probability p(i) that a neuron will become tuned to this pattern. It is often said that the desired result should be p(i) = p(i), although for Kohonen I-d feature maps ha.~ been shown to be p(i) = p(i)2/3 (see for example, Hertz, Krogh, and Palmer 1991). We have found that he partitioning cannot be calculated by finding the optima of the objective function . For example, in the case of weakly correlated patterns, the global maxima is the most likely pattern, whereas all of the patterns are local maxima. To determine the partitioning, the basin of attraction of each pattern must be computed. This could be different for different dynamics with the same fixed point structure. In order to determine the partitioning, the dynamics must be understood. The details will be described elsewhere (Priigel-Bennett and Shapiro, 1994). For the case of weakly correlated patterns, a neuron will learn a pattern for which p(xp)(Vcr/- 1 > p(xq)(Voq)b-l Vq f- p. Here Vcr is the initial overlap (before learning) of the neuron's weights with the pth pattern. This defines the basin of attraction for each pattern. In the large P limit and for random patterns p(i) ~ p(iYx (11) where a ~ 210g(P)/(b -1), P is the number of patterns, and where b is a parameter that controls the non-linearity of the neuron's response. If b is chosen so that a = 1, Non-Linear Statistical Analysis and Self-Organizing Hebbian Networks then the probability of a neuron learning a pattern will be proportional to the frequency with which the pattern is presented. 5 CONCLUSIONS The relationship between a non-linear generalization of Oja's rule and a non-linear generalization of PCA was reviewed. Non-linear PCA is equivalent to maximizing a objective function which is a statistical measure of the data set. The objective function optimized is determined by the form of the activation function of the neuron. Viewing the neuron in this way is useful, because rather than solving the dynamics, one can use methods of statistical mechanics or other methods to find the maxima of the objective function. Since this function has many local maxima, however, these techniques cannot determine how the solutions are partitioned amoung the neurons. To determine this, the dynamics must be solved. Acknowledgements This work was supported by SERC grant GRG20912. References J. Hertz, A. Krogh, and R.G. Palmer. (1991). Introduction to the Theory of Neural Computation. Addison-Wesley. J. Karhunen and J. J outsensalo. (1992) Nonlinear Heb bian algorithms for sinusoidal frequency estimation, in Artificial Neural Networks, 2, I. Akeksander and J . Taylor, editors, North-Holland. Erkki Oja. (1982) A simplified neuron model as a principal component analyzer. em J. Math. Bio., 15:267-273. Erkki Oja. (1989) Neural networks, principal components, and subspaces. Int. J. of Neural Systems, 1(1):61-68. E. Oja, H. Ogawa, and J. Wangviwattan. (1992) Principal Component Analysis by homogeneous neural networks: Part II: analysis and extension of the learning algorithms IEICE Trans. on Information and Systems, E75-D, 3, pp 376-382. E. Oja. (1993) Nonlinear PCA: algorithms and applications, in Proceedings of World Congress on Neural Networks, Portland, Or. 1993. A. Prugel-Bennett and Jonathan 1. Shapiro. (1993) Statistical Mechanics of Unsupervised Hebbian Learning. J. Phys. A: 26, 2343. A. Prugel-Bennett and Jonathan L. Shapiro. (1994) The Partitioning Problem for Unsupervised Learning for Non-linear Neurons. J. Phys. A to appear. T. D. Sanger. (1989) Optimal Unsupervised Learning in a Single-Layer Linear Feedforward Neural Network. Neural Networks 2,459-473. Jonathan L. Shapiro and A. Prugel-Bennett (1992), Unsupervised Hebbian Learning and the Shape of the Neuron Activation Function, in Artificial Neural Networks, 2, I. Akeksander and J. Taylor, editors, North-Holland. 413 414 Shapiro and Prugel-Bennett W . Softky and D. Kammen (1991). Correlations in High Dimensional or Asymmetric Data Sets: Hebbian Neuronal Processing. Neural Networks 4, pp 337-347. J . Taylor, (1993) Forms of Memory, in Proceedings of World Congress on Neural Networks, Portland, Or. 1993.
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Non-Intrusive Gaze Tracking Using Artificial Neural Networks Shumeet Baluja Dean Pomerleau [email protected] School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213 pomerleau @cs.cmu.edu School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213 Abstract We have developed an artificial neural network based gaze tracking system which can be customized to individual users. Unlike other gaze trackers, which normally require the user to wear cumbersome headgear, or to use a chin rest to ensure head immobility, our system is entirely non-intrusive. Currently, the best intrusive gaze tracking systems are accurate to approximately 0.75 degrees. In our experiments, we have been able to achieve an accuracy of 1.5 degrees, while allowing head mobility. In this paper we present an empirical analysis of the performance of a large number of artificial neural network architectures for this task. 1 INTRODUCTION The goal of gaze tracking is to determine where a subject is looking from the appearance of the subject's eye. The interest in gaze tracking exists because of the large number of potential applications. Three of the most common uses of a gaze tracker are as an alternative to the mouse as an input modality [Ware & Mikaelian, 1987], as an analysis tool for human-computer interaction (HCI) studies [Nodine et. aI, 1992], and as an aid for the handicapped [Ware & Mikaelian, 1987]. Viewed in the context of machine vision, successful gaze tracking requires techniques to handle imprecise data, noisy images, and a potentially infinitely large image set. The most accurate gaze tracking has come from intrusive systems. These systems either use devices such as chin rests to restrict head motion, or require the user to wear cumbersome equipment, ranging from special contact lenses to a camera placed on the user's head. The system described here attempts to perform non-intrusive gaze tracking, in which the user is neither required to wear any special equipment, nor required to keep hislher head still. 753 754 Baluja and Pomerleau 2 GAZE TRACKING 2.1 TRADITIONAL GAZE TRACKING In standard gaze trackers, an image of the eye is processed in three basic steps. First, the specular reflection of a stationary light source is found in the eye's image. Second, the pupil's center is found. Finally, the relative position of the light's reflection to the pupil's center is calculated. The gaze direction is determined from information about the relative positions, as shown in Figure 1. In many of the current gaze tracker systems, the user is required to remain motionless, or wear special headgear to maintain a constant offset between the position of the camera and the eye. Specular Reflection ~~~ Looking at Light Looking Above Light Looking Below Light Looking Left of Light Figure 1: Relative position of specular reflection and pupil. This diagram assumes that the light is placed in the same location as the observer (or camera). 2.2 ARTIFICIAL NEURAL NETWORK BASED GAZE TRACKING One of the primary benefits of an artificial neural network based gaze tracker is that it is non-intrusive; the user is allowed to move his head freely. In order to account for the shifts in the relative positions of the camera and the eye, the eye must be located in each image frame. In the current system, the right eye is located by searching for the specular reflection of a stationary light in the image of the user's face. This can usually be distinguished by a small bright region surrounded by a very dark region. The reflection's location is used to limit the search for the eye in the next frame. A window surrounding the reflection is extracted; the image of the eye is located within this window. To determine the coordinates of the point the user is looking at, the pixels of the extracted window are used as the inputs to the artificial neural network. The forward pass is simulated in the ANN, and the coordinates of the gaze are determined by reading the output units. The output units are organized with 50 output units for specifying the X coordinate, and 50 units for the Y coordinate. A gaussian output representation, similar to that used in the ALVINN autonomous road following system [Pomerleau, 1993], is used for the X and Y axis output units. Gaussian encoding represents the network's response by a Gaussian shaped activation peak in a vector of output units. The position of the peak within the vector represents the gaze location along either the X or Y axis. The number of hidden units and the structure of the hidden layer necessary for this task are explored in section 3. The training data is collected by instructing the user to visually track a moving cursor. The cursor moves in a predefined path. The image of the eye is digitized, and paired with the (X,Y) coordinates of the cursor. A total of 2000 image/position pairs are gathered. All of the networks described in this paper are trained with the same parameters for 260 epochs, using standard error back propagation. The training procedure is described in greater Non-Intrusive Gaze Tracking Using Artificial Neural Networks detail in the next section. 3 THE ARTIFICIAL NEURAL NETWORK IMPLEMENTATION In designing a gaze tracker, the most important attributes are accuracy and speed. The need for balancing these attributes arises in deciding the number of connections in the ANN, the number of hidden units needed, and the resolution of the input image. This section describes several architectures tested, and their respective performances. 3.1 EXAMINING ONLY THE PUPIL AND CORNEA Many of the traditional gaze trackers look only at a high resolution picture of the subject's pupil and cornea. Although we use low resolution images, our first attempt also only used an image of the pupil and cornea as the input to the ANN. Some typical input images are shown below, in Figure 2(a). The size of the images is 15x15 pixels. The ANN architecture used is shown in Figure 2(b). This architecture was used with varying numbers of hidden units in the single, divided, hidden layer; experiments with 10, 16 and 20 hidden units were performed. As mentioned before, 2000 image/position pairs were gathered for training. The cursor automatically moved in a zig-zag motion horizontally across the screen, while the user visually tracked the cursor. In addition, 2000 image/position pairs were also gathered for testing. These pairs were gathered while the user tracked the cursor as it followed a vertical zig-zag path across the screen. The results reported in this paper, unless noted otherwise, were all measured on the 2000 testing points. The results for training the ANN on the three architectures mentioned above as a function of epochs is shown in Figure 3. Each line in Figure 3 represents the average of three ANN training trials (with random initial weights) for each of the two users tested. Using this system, we were able to reduce the average error to approximately 2.1 degrees, which corresponds to 0.6 inches at a comfortable sitting distance of approximately 17 inches. In addition to these initial attempts, we have also attempted to use the position of the cornea within the eye socket to aid in making finer discriminations. These experiments are described in the next section. 50 X Output Units 50 Y Output Units 15 x 15 Input Retina Figure 2: (a-left) 15 x 15 Input to the ANN. Target outputs also shown. (b-right) the ANN architecture used. A single divided hidden layer is used. 755 756 Baluja and Pomerleau JSdSlmages to Hidden iii Hidden r O"Hidden Figure 3: Error vs. Epochs for the 15x15 images. Errors shown for the 2000 image test set. Each line represents three ANN trainings per user; two users are tested. "0 240 1JO '''' 210 3.2 USING THE EYE SOCKET FOR ADDITIONAL INFORMATION In addition to using the information present from the pupil and cornea, it is possible to gain information about the subject's gaze by analyzing the position of the pupil and cornea within the eye socket. Two sets of experiments were performed using the expanded eye image. The first set used the network described in the next section. The second set of experiments used the same architecture shown in Figure 2(b), with a larger input image size. A sample image used for training is shown below, in Figure 4. Figure 4: Image of the pupil and the eye socket, and the corresponding target outputs. 15 x 40 input image shown. 3.2.1. Using a Single Continuous Hidden Layer One of the remaining issues in creating the ANN to be used for analyzing the position of the gaze is the structure of the hidden unit layer. In this study, we have limited our exploration of ANN architectures to simple 3 layer feed-forward networks. In the previous architecture (using 15 x 15 images) the hidden layer was divided into 2 separate parts, one for predicting the x-axis, and the other for the y-axis. Selecting this architecture over a fully connected hidden layer makes the assumption that the features needed for accurate prediction of the x-axis are not related to the features needed for predicting the y-axis. In this section, this assumption is tested. This section explores a network architecture in which the hidden layer is fully connected to the inputs and the outputs. In addition to deciding the architecture of the ANN, it is necessary to decide on the size of the input images. Several input sizes were attempted, 15x30, 15x40 and 20x40. Surprisingly, the 20x40 input image did not provide the most accuracy. Rather, it was the 15x40 image which gave the best results. Figure 5 provides two charts showing the performance of the 15x40 and 20x40 image sizes as a function of the number of hidden units and epochs. The 15x30 graph is not shown due to space restrictions, it can be found in [Baluja & Pomerleau, 1994]. The accuracy achieved by using the eye socket information, for the 15x40 input images, is better than using only the pupil and cornea; in particular, the 15x40 input retina worked better than both the 15x30 and 20x40. Non-Intrusive Gaze Tracking Using Artificial Neural Networks IS x 40 Image lOx 40 Image 10 Hidden 10 Hidden i6"Hfdden iii""fiidden i6-Hfdiien 2oHi!iden 3l1l 2 &0 320 3 10 260 300 240 ... . 290 ~ . liO 220 I " l70~ I sooo I I I 10000 I ~OO 20000 Epochs 2!tO OO I I sooo I 10000 I 1.5000 I 20000 Figure 5: Performance of 15x40, and 20x40 input image sizes as a function of epochs and number of hidden units. Each line is the average of 3 runs. Data points taken every 20 epochs, between 20 and 260 epochs. 3.2.2. Using a Divided Hidden Layer The final set of experiments which were performed were with 15x40 input images and 3 different hidden unit architectures: 5x2, 8x2 and 10x2. The hidden unit layer was divided in the manner described in the first network, shown in Figure 2(b). Two experiments were performed, with the only difference between experiments being the selection of training and testing images. The first experiment was similar to the experiments described previously. The training and testing images were collected in two different sessions, one in which the user visually tracked the cursor as it moved horizontally across the screen and the other in which the cursor moved vertically across the screen. The training of the ANN was on the "horizontally" collected images, and the testing of the network was on the "vertically" collected images. In the second experiment, a random sample of 1000 images from the horizontally collected images and a random sample of 1000 vertically collected images were used as the training set. The remaining 2000 images from both sets were used as the testing set. The second method yielded reduced tracking errors. If the images from only one session were used, the network was not trained to accurately predict gaze position independently of head position. As the two sets of data were collected in two separate sessions, the head positions from one session to the other would have changed slightly. Therefore, using both sets should have helped the network in two ways. First, the presentation of different head positions and different head movements should have improved the ability of the network to generalize. Secondly, the network was tested on images which were gathered from the same sessions as it was trained. The use of mixed training and testing sets will be explored in more detail in section 3.2.3. The results of the first and second experiments are presented here, see Figure 6. In order to compare this architecture with the previous architectures mentioned, it should be noted that the performance of this architecture, with 10 hidden units, more accurately predicted gaze location than the architecture mentioned in section 3.2.1, in which a single continuous hidden layer was used. In comparing the performance of the architectures with 16 and 20 hidden units, the performances were very similar. Another valuable feature of using the 757 758 Baluja and Pomerleau divided hidden layer is the reduced number of connections decreases the training and simulation times. This architecture operates at approximately 15hz. with 10 and 16 hidden units, and slightly slower with 20 hidden units. Eno,-o.gr... Separate Hidden Layer & 15x40 Image - Test Set 1 310 10 Hidden 300 i(j?Hraden 290 Erro,-DegI8OS Seperate Hidden Layer & 15x40 Images - Test Set 2 210 10 Hidden 240 i(j-H1aden iifHiCiden 2o--fii-dden 280 2 40 2 30 , , . 60 """" -......... 2 .0 ............. . ... 2 00 ""~l '. .so . 40 ..90c-----ulnn-----,oi=--~.-----.,;I;;OOon-----,,;250i;-,.OOr=" Epochs Figure 6: (Left) The average of 2 users with the 15x40 images, and a divided hidden layer architecture, using test setup #1. (Right) The average performance tested on 5 users, with test setup #2. Each line represents the average of three ANN trainings per user per hidden unit architecture. 3.2.3. Mixed Training and Testing Sets It was hypothesized, above, that there are two reasons for the improved performance of a mixed training and testing set. First, the network ability to generalize is improved, as it is trained with more than a single head position. Second, the network is tested on images which are similar, with respect to head position, as those on which it was trained. In this section, the first hypothesized benefit is examined in greater detail using the experiments described below. Four sets of 2000 images were collected. In each set, the user had a different head position with respect to the camera. The first two sets were collected as previously described. The first set of 2000 images (horizontal train set 1) was collected by visually tracking the cursor as it made a horizontal path across the screen. The second set (vertical test set 1) was collected by visually tracking the cursor as it moved in a vertical path across the screen. For the third and fourth image sets, the camera was moved, and the user was seated in a different location with respect to the screen than during the collection of the first training and testing sets. The third set (horizontal train set 2) was again gathered from tracking the cursor's horizontal path, while the fourth (vertical test set 2) was from the vertical path of the cursor. Three tests were performed. In the first test, the ANN was trained using only the 2000 images in horizontal training set 1. In the second test, the network was trained using the 2000 images in horizontal training set 2. In the third test, the network was trained with a random selection of 1000 images from horizontal training set 1, and a random selection of 1000 images of horizontal training set 2. The performance of these networks was tested on both of the vertical test sets. The results are reported below, in Figure 7. The last experiment, in which samples were taken from both training sets, provides more accurate results Non-Intrusive Gaze Tracking Using Artificial Neural Networks when testing on vertical test set I, than the network trained alone on horizontal training set 1. When testing on vertical test set 2, the combined network performs almost as well as the network trained only on horizontal training set 2. These three experiments provide evidence for the network's increased ability to generalize if sets of images which contain multiple head positions are used for training. These experiments also show the sensitivity of the gaze tracker to movements in the camera; if the camera is moved between training and testing, the errors in simulation will be large. Vertil:al Test Set I Error-Degr... triiiiisei-j JOO Vertical Test Set 1 Error-Degr... combined combined 380 iiaiii set -i : 36:1 ttaiii""se,"i ifaiii"set2 )41] ' 80 ". '60 , 40 '20 ' 00 ' 80 ,. 300 Z80 \. \ , 6:1 \ \\ 240 ,,. "'-" '~-- 200 Epochs \ \ \ ~ ' 10 Figure 7: Comparing the performance between networks trained with only one head position (horizontal train set 1 & 2), and a network trained with both. 4 USING THE GAZE TRACKER The experiments described to this point have used static test sets which are gathered over a period of several minutes, and then stored for repeated use. Using the same test set has been valuable in gauging the performance of different ANN architectures. However, a useful gaze tracker must produce accurate on-line estimates of gaze location. The use of an "offset table" can increase the accuracy of on-line gaze prediction. The offset table is a table of corrections to the output made by a gaze tracker. The network's gaze predictions for each image are hashed into the 2D offset-table, which performs an additive correction to the network's prediction. The offset table is filled after the network is fully trained. The user manually moves and visually tracks the cursor to regions in which the ANN is not performing accurately. The offset table is updated by subtracting the predicted position of the cursor from the actual position_This procedure can also be automated, with the cursor moving in a similar manner to the procedure used for gathering testing and training images. However, manually moving the cursor can help to concentrate effort on areas where the ANN is not performing well; thereby reducing the time required for offset table creation. With the use of the offset table, the current system works at approximately 15 hz. The best on-line accuracy we have achieved is 1.5 degrees. Although we have not yet matched the best gaze tracking systems, which have achieved approximately 0.75 degree accuracy, our system is non-intrusive, and does not require the expensive hardware which many other systems require. We have used the gaze tracker in several forms; we have used it as an 759 760 Baluja and Pomerleau input modality to replace the mouse, as a method of selecting windows in an X-Window environment, and as a tool to report gaze direction, for human-computer interaction studies. The gaze tracker is currently trained for 260 epochs, using standard back propagation. Training the 8x2 hidden layer network using the 15x40 input retina, with 2000 images, takes approximately 30-40 minutes on a Sun SPARC 10 machine. 5 CONCLUSIONS We have created a non-intrusive gaze tracking system which is based upon a simple ANN. Unlike other gaze-tracking systems which employ more traditional vision techniques, such as a edge detection and circle fitting, this system develops its own features for successfully completing the task. The system's average on-line accuracy is 1.7 degrees. It has successfully been used in HCI studies and as an input device. Potential extensions to the system, to achieve head-position and user independence, are presented in [Baluja & Pomerleau, 1994]. Acknowledgments The authors would like to gratefully acknowledge the help of Kaari Flagstad, Tammy Carter, Greg Nelson, and Ulrike Harke for letting us scrutinize their eyes, and being "willing" subjects. Profuse thanks are also due to Henry Rowley for aid in revising this paper. Shumeet Baluja is supported by a National Science Foundation Graduate Fellowship. This research was supported by the Department of the Navy, Office of Naval Research under Grant No. NOO014-93-1-0806. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressed or implied, of the National Science Foundation, ONR, or the U.S. government. References Baluja, S. Pomerleau, D.A. (1994) "Non-Intrusive Gaze Tracking Using Artificial Neural Networks" CMU-CS-94. Jochem, T.M., D.A. Pomerleau, C.E. Thorpe (1993), "MANIAC: A Next Generation Neurally Based Autonomous Road Follower". In Proceedings of the International Conference on Intelligent Autonomous Systems (IAS-3). Nodine, c.P., H.L. Kundel, L.c. Toto & E.A. Krupinksi (1992) "Recording and analyzing eye-position data using a microcomputer workstation", Behavior Research Methods, Instruments & Computers 24 (3) 475-584. Pomerleau, D.A. (1991) "Efficient Training of Artificial Neural Networks for Autonomous Navigation," Neural Computation 3: I, Terrence Sejnowski (Ed). Pomerleau, D.A. (1993) Neural Network Perception for Mobile Robot Guidance. Kluwer Academic Publishing. Pomerleau, D.A. (1993) "Input Reconstruction Reliability Estimation", Neural Information Processing Systems 5. Hanson, Cowan, Giles (eds.) Morgan Kaufmann, pp. 270-286. Starker, I. & R. Bolt (1990) "A Gaze-Responsive Self Disclosing Display", In CHI-90. Addison Wesley, Seattle, Washington. Waibel, A., Sawai, H. & Shikano, K. (1990) "Consonant Recognition by Modular Construction of Large Phonemic Time-Delay Neural Networks". Readings in Speech Recognition. Waibel and Lee. Ware, C. & Mikaelian, H. (1987) "An Evaluation of an Eye Tracker as a Device for Computer Input", In 1. Carrol and P. Tanner (ed.) Human Factors in Computing Systems -IV. Elsevier.
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Digital Boltzmann VLSI for constraint satisfaction and learning Michael Murray t Ming-Tak Leung t Kan Boonyanit t Kong Kritayakirana t James B. Burrt* Gregory J. Wolff+ Takahiro Watanabe+ Edward Schwartz+ David G. Storktt Allen M. Petersont t Department of Electrical Engineering Stanford University Stanford, CA 94305-4055 +Ricoh California Research Center 2882 Sand Hill Road Suite 115 Menlo Park, CA 94025-7022 and *Sun Mlcrosystems . 2550 Garcia Ave., MTV-29, room 203 Mountain View, CA 94043 Abstract We built a high-speed, digital mean-field Boltzmann chip and SBus board for general problems in constraint satjsfaction and learning. Each chip has 32 neural processors and 4 weight update processors, supporting an arbitrary topology of up to 160 functional neurons. On-chip learning is at a theoretical maximum rate of 3.5 x 108 connection updates/sec; recall is 12000 patterns/sec for typical conditions. The chip's high speed is due to parallel computation of inner products, limited (but adequate) precision for weights and activations (5 bits), fast clock (125 MHz), and several design insights. 896 Digital Boltzmann VLSI for Constraint Satisfaction and Learning 1 INTRODUCTION A vast number of important problems can be cast into a form of constraint satisfaction. A crucial difficulty when solving such problems is the fact that there are local minima in the solution space, and hence simple gradient descent methods rarely suffice. Simulated annealing via the Boltzmann algorithm (BA) is attractive because it can avoid local minima better than many other methods (Aarts and Korst, 1989). It is well known that the problem of learning also generally has local minima in weight (parameter) space; a Boltzmann algorithm has been developed for learning which is effective at avoiding local minima (Ackley and Hinton, 1985). The BA has not received extensive attention, however, in part because of its slow operation which is due to the annealing stages in which the network is allowed to slowly relax into a state of low error. Consequently there is a great need for fast and efficient special purpose VLSI hardware for implementing the algorithm. Analog Boltzmann chips have been described by Alspector, Jayakumar and Luna (1992) and by Arima et al. (1990); both implement stochastic BA. Our digital chip is the first to implement the deterministic mean field BA algorithm (Hinton, 1989), and although its raw throughput is somewhat lower than the analog chips just mentioned, ours has unique benefits in capacity, ease of interfacing and scalability (Burr, 1991, 1992). 2 BOLTZMANN THEORY The problems of constraint satisfaction and of learning are unified through the Boltzmann learning algorithm. Given a partial pattern and a set of constraints, the BA completes the pattern by means of annealing (gradually lowering a computational "temperature" until the lowest energy state is found) - an example of constraint satisfaction. Over a set of training patterns, the learning algorithm modifies the constraints to model the relationships in the data. 2.1 CONSTRAINT SATISFACTION A general constraint satisfaction problem over variables Xi (e.g., neural activations) is to find the set Xi that minimize a global energy function E = -~ Lij WijXiXj, where Wij are the (symmetric) connection weights between neurons i and j and represent the problem constraints. There are two versions of the BA approach to minimizing E. In one version - the stochastic BA - each binary neuron Xi E {-I, I} is polled randomly, independently and repeatedly, and its state is given a candidate perturbation. The probability of acceptance of this perturbation depends upon the amount of the energy change and the temperature. Early in the annealing schedule (Le., at high temperature) the probability of acceptance is nearly independent of the change in energy; late in annealing (Le., at low temperature), candidate changes that lead to lower energy are accepted with higher probability. In the deterministic mean field BA, each continuous valued neuron (-1 < Xi ::; 1) is updated simultaneously and in parallel, its new activation is set to Xi = I(Lj WijXj), where 10 is a monotonic non-linearity, typically a sigmoid which corresponds to a stochastic unit at a given temperature (assuming independent 897 898 Murray, Leung, Boonyanit, Kritayakirana, Burr, Wolff, Watanabe, Schwartz, Stork, and Peterson inputs). The inverse slope of the non-linearity is proportional to the temperature; at the end of the anneal the slope is very high and f (.) is effectively a step function. It has been shown that if certain non-restrictive assump'tions hold, and if the annealing schedule is sufficiently slow, then the final binary states (at 0 temperature) will be those of minimum E (Hinton, 1989, Peterson and Hartman, 1989). 2.2 LEARNING The problem of Boltzmann learning is the following: given a network topology of input and output neurons, interconnected by hidden neurons, and given a set of training patterns (input and desired output), find a set of weights that leads to high probability of a desired output activations for the corresponding input activations. In the Boltzmann algorithm such learning is achieved using two main phases the Teacher phase and the Student phase - followed by the actual Weight update. During the Teacher phase the network is annealed with the inputs and outputs clamped (held at the values provided by the omniscient teacher). During the anneal of the Student phase, only the inputs are clamped - the outputs are allowed to vary. The weights are updated according to: D..Wij = ?( (x!x;) - (x:xj)) (1) where ? is a learning rate and (x~x;) the coactivations of neurons i and j at the end of the Teacher phase and (x:xj) in at the end of the Student phase (Ackley and Hinton, 1985). Hinton (1989) has shown that Eq. 1 effectively performs gradient descent on the cross-entropy distance between the probability of a state in the Teacher (clamped) and the Student (free-running) phases. Recent simulations by Galland (1993) have shown limitations of the deterministic BA for learning in networks having hidden units directly connected to other hidden units. While his results do not cast doubt on the deterministic BA for constraint satisfaction, they do imply that the deterministic BA for learning is most successful in networks of a single hidden layer. Fortunately, with enough hidden units this topology has the expressive power to represent all but the most pathological inputoutput mappings. 3 FUNCTIONAL DESIGN AND CHIP OPERATION Figure 1 shows the functional block diagram of our chip. The most important units are the Weight memory, Neural processors, Weight update processors, Sigmoid and Rotating Activation Storage (RAS), and their operation are best explained in terms of constraint satisfaction and learning. 3.1 CONSTRAINT SATISFACTION For constraint satisfaction, the weights (constraints) are loaded into the Weight memory, the form of the transfer function is loaded into the Sigmoid Unit, and the values and duration of the annealing temperatures (the annealing schedule) are loaded into the Temperature Unit. Then an input pattern is loaded into a bank of the RAS to be annealed. Such an anneal occurs as follows: At an initial high Digital Boltzmann VLSI for Constraint Satisfaction and Learning temperature, the 32 Neural processors compute Xi = Lj WijXj in parallel for the hidden units. A 4 x multiplexing here permits networks of up to 128 neurons to be annealed, with the remaining 32 neurons used as (non-annealed) inputs. Thus our chip supports networks of up to 160 neurons total. These activations are then stored in the Neural Processor Latch and then passed sequentially to the Sigmoid unit, where they are multiplied by the reciprocal of the instantaneous temperature. This Sigmoid unit employs a lookup table to convert the inputs to neural outputs by means of non-linearity f(?). These outputs are sequentially loaded back into the activation store. The temperature is lowered (according to the annealing schedule), and the new activations are calculated as before, and so on. The final set of activations Xi (i.e., at the lowest temperature) represent the solution. r-----t.... 4 Rotating Activation weight update processors weight update cache Weight memory 1 32 Neural Processors (NP) Sigmoid Figure 1: Boltzmann VLSI block diagram. The rotating activation storage (black) consists of three banks, which for learning problems contain the last pattern (already annealed), the current pattern (being annealed) and the next pattern (to be annealed) read onto the chip through the external interface. 3.2 LEARNING When the chip is used for learning, the weight memory is initialized with random weights and the first, second and third training patterns are loaded into the RAS. The three-bank RAS is crucial for our chip's speed because it allows a three-fold 899 900 Murray, Leung, Boonyanit, Kritayaldrana, Burr, Wolff, Watanabe, Schwartz, Stork, and Peterson concurrency: 1) a current pattern of activations is annealed, while 2) the annealed last pattern is used to update the weights, while 3) the next pattern is being loaded from off-chip. The three banks form a circular buffer, each with a Student and a Teacher activation store. During the Teacher anneal phase (for the current pattern), activations of the input and output neurons are held at the values given by the teacher, and the values of the hidden units found by annealing (as described in the previous subsection). After the last such annealling step (Le., at the lowest temperature), the final activations are left in the Teacher activation store - the Teacher phase is then complete. The annealing schedule is then reset to its initial temperature, and the above process is then repeated for the Student phase; here only the input activations are clamped to their values and the outputs are free to vary. At the end of this Student anneal, the final activations are left in the Student activation storage. In steady state, the MUX then rotates the storage banks of the RAS such that the next, current, and last banks are now called the current, last, and next, respectively. To update the weights, the activations in the Student and Teacher storage bank for the pattern just annealed (now called the "last" pattern) are sent to the four Weight update processors, along with the weights themselves. The Weight update processors compute the updated weights according to Eq. 1, and write them back to the Weight memory. While such weight update is occuring for the last pattern, the current pattern is annealing and the next pattern is being loaded from off chip. After the chip has been trained with all of the patterns, it is ready for use in recall. During recall, a test pattern is loaded to the input units of an activation bank (Student side), the machine performs a Student anneal and the final output activations are placed in the Student activation store, then read off the chip to the host computer as the result. In a constraint satisfaction problem, we merely download the weights (constraints) and perform a Student anneal. 4 HARDWARE IMPLEMENTATION Figure 2 shows the chip die. The four main blocks of the Weight memory are at the top, surrounded by 32 Neural processors (above and below this memory), and four Weight update processors (between the memory banks). The three banks of the Rotating Activation Store are at the bottom of the chip. The Sigmoid processor is at the lower left, and instruction cache and external interface at the lower right. Most of the rest of the chip consists of clocking and control circuitry. 4.1 VLSI The chip mixes dynamic and static memory on the same die. The Activation and Temperature memories are static RAM (which needs no refresh circuitry) while the Weight memory is dynamic (for area efficiency) . The system clock is distributed to various local clock drivers in order to reduce the global clock capacitance and to selectively disable the clocks in inactive subsystems for reducing power consumption. Each functional block has its own finite state machine control which communicates Digital Boltzmann VLSI for Constraint Satisfaction and Learning .. " ._ ? ...- . .. .... ? . -, "o.t ' . . IM .... . . '7 ","", Figure 2: Boltzmann VLSI chip die. asynchronously. For diagnostic purposes, the State Machines and counters are observable through the External Interface. There is a Single Step mode which has been very useful in verifying sub-system performance. Figure 3 shows the power dissipation throughout a range of frequencies. Note that the power is less than 2 Watts throughout. Extensive testing of the first silicon revealed two main classes of chip error: electrical and circuit. Most of the electrical problems can be traced to fast edge rates on the DRAM sense-amp equalization control signals, which cause inductive voltage transients on the power supply rails of roughly 1 Volt. This appears to be at least partly responsible for the occasional loss of data in dynamic storage nodes. There also seems to be insufficient latchup protection in the pads, which is aggravated by the on-chip voltage surges. The circuit problems can be traced to having to modify the circuits used in the layout for full chip simulation. In light of these problems, we have simulated the circuit in great detail in order to explore possible corrective steps. We have modified the design to provide improved electrical isolation, resized drivers and reduced the logic depth in several components. These corrections solve the problems in simulation, and give us confidence that the next fab run will yield a fully working chip. 4.2 BOARD AND SBus INTERFACE An SBus interface board was developed to allow the Boltzmann chip to be used with a SparcStation host. The registers and memory in the chip can be memory mapped so that they are directly accessible to user software. The board can support 901 902 Murray, Leung, Boonyanit, Kritayakirana, Burr, Wolff, Watanabe, Schwartz, Stork, and Peterson Table 1: Boltzmann VLSI chip specifications Architecture Size Neurons Weight memory Activation store Technology Transistors Pins Clock I/O rate Learning rate Recall rate Power dissipation n-Iayer, arbitrary intercoItnnections 9.5 mm x 9.8 mm 32 processors --+ 160 virtual 20,480 5-bit weights (on chip) 3 banks, 160 teacher & 160 student values in each 1. 211m CMOS 400,000 84 125 MHz (on chip) 3 x 107 activations/sec (sustained) 3.5 x 108 connection updates/sec (on chip) 12000 patterns/sec :::;2 Watts (see Figure 3) 20-bit transfers to the chip at a sustained rate in excess of 8 Mbytes/second. The board uses reconfigurable Xilinx FPGAs (field-programmable gate arrays) to allow flexibility for testing with and without the chip installed. 4.3 SOFTWARE The chip control program is written in C (roughly 1,500 lines of code) and communicates to the Boltzmann interface card through the virtual memory. The user can read/write to all activation and weight memory locations and all functions of the chip (learning, recall, annealing, etc.) can thus be specified in software. 5 CONCLUSIONS AND FUTURE WORK The chip was designed so that interchip communications could be easily incorporated by means of high-speed parallel busses. The SBus board, interface and software described above will require only minor changes to incorporate a multi-chip module (MCM) containing several such chips (for instance 16). There is minimal ,-- 2 1. 75 til .w 1.5 .w 1. 25 111 2: 1 ~ Q) 0.75 ~ 0 0.5 0. 0.25 0 i i, I f--T; ! i - , ---- i ,i I i i I i , i 50 60 70 80 90 I I 100 110 frequency, MHz Figure 3: Power dissipation of the chip during full operation at 5 Volts. Digital Boltzmann VLSI for Constraint Satisfaction and Learning inter chip communication delay ? 3% overhead), and thus MCM versions of our system promise to be extremely powerful learning systems for large neural network problems (Murrayet al., 1992). Acknowledgements Thanks to Martin Boliek and Donald Wynn for assistance in design and construction of the SBus board. Research support by NASA through grant NAGW419 is gratefully acknowledged; VLSI fabrication by MOSIS. Send reprint requests to Dr. Stor k: stor [email protected]. References E. Aarts & J. Korst. (1989) Simulated Annealing and Boltzmann Machines: A stochastic approach to combinatorial optimization and neural computing. New York: Wiley. D. H. Ackley & G. E. Hinton. (1985) A learning algorithm for Boltzmann machines. Cognitive Science 9, 147-169. J. Alspector, A. Jayakumar & S. Luna. (1992) ExpeJimental evaluation of learning in a neural microsystem. Advances in Neural Information Processing Systems-4, J. E. Moody, S. J. Hanson & R. P. Lippmann (eds.), San Mateo, CA: Morgan Kaufmann, 871-878. Y. Arima, K. Mashiko, K. Okada, T. Yamada, A. Maeda, H. Kondoh & S. Kayano. (1990) A self-learning neural network chip with 125 neurons and 10K selforganization synapses. In Symposium on VLSI Circuits, Solid State Circuits Council Staff, Los Alamitos, CA: IEEE Press, 63-64. J. B. Burr. (1991) Digital Neural Network Implementations. Neural Networks: Concepts, Applications, and Implementations, Volume 2, P. Antognetti & V. Milutinovic (eds.) 237-285, Englewood Cliffs, NJ: Prentice Hall. J. B. Burr. (1992) Digital Neurochip Design. Digital Parallel Implementations of Neural Networks. K. Wojtek Przytula & Viktor K. Prasanna (eds.), Englewood Cliffs, N J: Prentice Hall. C. C. Galland. (1993) The limitations of deterministic Boltzmann machine learning. Network 4, 355-379. G. E. Hinton. (1989) Deterministic Boltzmann learning performs steepest descent in weight-space. Neural Computation 1, 143-150. C. Peterson & E. Hartman. (1989) Explorations of the mean field theory learning algorithm. Neural Networks 2, 475-494. M. Murray, J. B. Burr, D. G. Stork, M.-T. Leung, K. Boonyanit, G. J. Wolff & A. M. Peterson. (1992) Deterministic Boltzmann machine VLSI can be scaled using multi-chip modules. Proc. of the International Conference on Application Specific Array Processors. Berkeley, CA (August 4-7) Los Alamitos, CA: IEEE Press, 206-217. 903
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Monte Carlo Matrix Inversion and Reinforcement Learning Andrew Barto and Michael Duff Computer Science Department University of Massachusetts Amherst, MA 01003 Abstract We describe the relationship between certain reinforcement learning (RL) methods based on dynamic programming (DP) and a class of unorthodox Monte Carlo methods for solving systems of linear equations proposed in the 1950's. These methods recast the solution of the linear system as the expected value of a statistic suitably defined over sample paths of a Markov chain. The significance of our observations lies in arguments (Curtiss, 1954) that these Monte Carlo methods scale better with respect to state-space size than do standard, iterative techniques for solving systems of linear equations. This analysis also establishes convergence rate estimates. Because methods used in RL systems for approximating the evaluation function of a fixed control policy also approximate solutions to systems of linear equations, the connection to these Monte Carlo methods establishes that algorithms very similar to TD algorithms (Sutton, 1988) are asymptotically more efficient in a precise sense than other methods for evaluating policies. Further, all DP-based RL methods have some of the properties of these Monte Carlo algorithms, which suggests that although RL is often perceived to be slow, for sufficiently large problems, it may in fact be more efficient than other known classes of methods capable of producing the same results. 687 688 Barto and Duff 1 Introduction Consider a system whose dynamics are described by a finite state Markov chain with transition matrix P, and suppose that at each time step, in addition to making a transition from state Xt = i to XHI = j with probability Pij, the system produces a randomly determined reward, rt+1! whose expected value is R;. The evaluation junction, V, maps states to their expected, infinite-horizon discounted returns: It is well known that V uniquely satifies a linear system of equations describing local consistency: V = R + -yPV, or (I - -yP)V = R. ( 1) The problem of computing or estimating V is interesting and important in its own right, but perhaps more significantly, it arises as a (rather computationallyburdensome) step in certain techniques for solving Markov Decision Problems. In each iteration of Policy-Iteration (Howard, 1960), for example, one must determine the evaluation function associated with some fixed control policy, a policy that improves with each iteration. Methods for solving (1) include standard iterative techniques and their variantssuccessive approximation (Jacobi or Gauss-Seidel versions), successive overrelaxation, etc. They also include some of the algorithms used in reinforcement learning (RL) systems, such as the family of TD algorithms (Sutton, 1988). Here we describe the relationship between the latter methods and a class of unorthodox Monte Carlo methods for solving systems of linear equations proposed in the 1950's. These methods recast the solution of the linear system as the expected value of a statistic suitably defined over sample paths of a Markov chain. The significance of our observations lies in arguments (Curtiss, 1954) that these Monte Carlo methods scale better with respect to state-space size than do standard, iterative techniques for solving systems of linear equations. This analysis also establishes convergence rate estimates. Applying this analysis to particular members of the family of TD algorithms (Sutton, 1988) provides insight into the scaling properties of the TD family as a whole and the reasons that TD methods can be effective for problems with very large state sets, such as in the backgammon player of Tesauro (Tesauro, 1992). Further, all DP-based RL methods have some of the properties of these Monte Carlo algorithms, which suggests that although RL is often slow, for large problems (Markov Decision Problems with large numbers of states) it is in fact far more practical than other known methods capable of producing the same results. First, like many RL methods, the Monte Carlo algorithms do not require explicit knowledge of the transition matrix, P. Second, unlike standard methods for solving systems of linear equations, the Monte Carlo algorithms can approximate the solution for some variables without expending the computational effort required to approximate Monte Carlo Matrix Inversion and Reinforcement Learning the solution for all of the variables. In this respect, they are similar to DP-based RL algorithms that approximate solutions to Markovian decision processes through repeated trials of simulated or actual control, thus tending to focus computation onto regions of the state space that are likely to be relevant in actual control (Barto et. al., 1991). This paper begins with a condensed summary of Monte Carlo algorithms for solving systems of linear equations. We show that for the problem of determining an evaluation function, they reduce to simple, practical implementations. Next, we recall arguments (Curtiss, 1954) regarding the scaling properties of Monte Carlo methods compared to iterative methods. Finally, we conclude with a discussion of the implications of the Monte Carlo technique for certain algorithms useful in RL systems. 2 Monte Carlo Methods for Solving Systems of Linear Equations The Monte Carlo approach may be motivated by considering the statistical evaluation of a simple sum, I:k ak. If {Pk} denotes a set of values for a probability mass function that is arbitrary (save for the requirement that ak =P 0 imply Pk =P 0), then I:k ak = I:k (~) Pk, which may be interpreted as the expected value of a random variable Z defined by Pr { Z = ~ } = Pk. From equation (1) and the Neumann series representation of the inverse it is is clear that V (1 - -yp)-l R R + -yP R + -y2 p2 R + ... whose ith component is = = Vi = R; + -y L P"l R;l + -y2 L P"lP'1'2 R;2 + ... . . . + -yk L Pii 1 ... P,/o-li/oR;/o + ... (2) and it is this series that we wish to evaluate by statistical means. A technique originated by Ulam and von-Neumann (Forsythe & Leibler, 1950) utilizes an arbitrarily defined Markov chain with transition matrix P and state set {I, 2, "., n} (V is assumed to have n components). The chain begins in state i and is allowed to make k transitions, where k is drawn from a geometric distribution with parameter Pdep; i.e., Pr{k state transitions} = P~tep(1 - P,tep)' The Markov chain, governed by P and the geometrically-distributed stopping criterion, defines a mass function assigning probability to every trajectory of every length starting in state i, Xo = io = i --+ Zl = i l --+ ... --+ Zk = ik, and to each such trajectory there corresponds a unique term in the sum (2). For the cas/~ of value estimation, "Z" is defined by 689 690 Barto and Duff which for j> = P and P,tep Pr = 'Y becomes {z = 1~" k = 'Yk(1 - } 'Y) 'Y IT Pij_li;- ;=1 The sample average of sampled values of Z is guaranteed to converge (as the number of samples grows large) to state i's expected, infinite-horizon discounted return. In Wasow's method (Wasow, 1952), the truncated Neumann series ~ = R; + 'Y LPiilR;l + 'Y2 LPii l Pi l i 2R;2 + ... + 'YN L Pii l ?? ?PiN_liNR;N is expressed as R; plus the expected value of the sum of N random variables ZlI Z2, ... , ZN, the intention being that E(Zk) = 'Yk L PihPi l i2" ?pi"_d,,R;,,? i 1 ???i" Let trajectories of length N be generated by the Markov chain governed by P. A given term 'Y"Pii 1Pi li 2 ?? 'Pi"_li"R;" is associated with all trajectories i -+ i1 -+ i2 -+ ... -+ i k -+ i k +1 -+ ... -+ iN whose first k + 1 states are i, ill ... , i k . The measure of this set of trajectories is just Pii 1Pi l i 2 ... Pi"_li". Thus, the random variables Zk, k = 1, N are defined by If P = P, then the estimate becomes an average of sample truncated, discounted returns: ~ = R; + 'YR;1 + 'Y2 R;.2 + ... + 'YN R;N. The Ulam/von Neumann approach may be reconciled with that of Wasow by processing a given trajectory a posteriori, converting it into a set of terminated paths consistent with any choice of stopping-state transition probabilities. For example, for a stopping state transition probability of 1 - 'Y, a path of length k has probability 'Yk(1 - 'Y). Each "prefix" of the observed path x(O) -+ x(1) -+ z(2) -+ ... can be weighted by the probability of a path of corresponding length, resulting in an estimate, V, that is the sampled, discounted return: 00 V = L -rk RZ(k). k=O 3 Complexity In (Curtiss, 1954) Curtiss establishes a theoretical comparison of the complexity (number of multiplications) required by the Ulam/von Neumann method and a stationary linear iterative process for computing a single component of the solution to a system of linear equations. Curtiss develops an analytic formula for bounds on the conditional mean and variance of the Monte-Carlo sample estimate, V, and mean and variance of a sample path's time to absorption, then appeals to the Monte Carlo Matrix Inversion and Reinforcement Learning n 1000 900 800 700 600 500 )"=.5 ),,=.7 )"=.9 400 300 200 100 O~----------~----~--~--~--~ a 100 200 300 400 500 600 700 800 900 1000 1/~ Figure 1: Break-even size of state space versus accuracy. Central Limit Theorem to establish a 95%-confidence interval for the complexity of his method to reduce the initial error by a given factor, 1 e. For the case of. value-estimation, Curtiss' formula for the Monte-Carlo complexity may be written as WORKMonte-Carlo = 1~ "'; (1 + e (3) 22 ) . This is compared to the complexity of the iterative method, which for the valueestimation problem takes the form of the classical dynamic programming recursion, v(n+l) = R + ",;pv(n): WORKiterati'lle lOge) 2 = ( 1 + log",; n + n. The iterative methodts complexity has the form an 2 + n, with a > It while the Monte-Carlo complexity is independent of n-it is most sensitive to the amount of error reduction desired, signified bye. Thus, given a fixed amount of computation, for large enough n, the Monte-Carlo method is likely (with 95% confidence level) to produce better estimates. The theoretical "break-even" points are plotted in Figure It and Figure 2 plots work versus state-space size for example values of",; and e. IThat is, for the iterative method, e is defined via IIV(oo) - yen) II while for the Monte Carlo method, e is defined via IV(OD)(i) - VMI where VM is the average over M sample V's. < eIlV(oo) < eIlV(OD) - yeO) II, - V(O)II, 691 692 Barto and Duff .::&.50000 .... o I I ~45000 I I 40000~------------~/------~-------I 35000 I 30000 I I 25000 , I 20000 15000 Iterative Monte Carlo Gauss 10000 5000 O~~--~~~~--~~--~--~~--~ o 10 20 30 40 50 60 70 80 90 100 n Figure 2: Work versus number of states for"Y = .5 and 4 e= .01. Discussion It was noted that the analytic complexity Curtiss develops is for the work required to compute one component of a solution vector. In the worst case, all components could be estimated by constructing n separate, independent estimators. This would multiply the Monte-Carlo complexity by a factor of n, and its scaling supremacy would be only marginally preserved. A more efficient approach would utilize data obtained in the course of estimating one component to estimate other components as well; Rubinstein (Rubinstein, 1981) decribes one way of doing this, using the notion of "covering paths." Also, it should be mentioned that substituting more sophisticated iterative methods, such as Gauss-Seidel, in place of the simple successive approximation scheme considered here, serves only to improve the condition number of the underlying iterative operator-the amount of computation required by iterative methods remains an 2 + n, for some a> 1. An attractive feature of the the analysis provided by Curtiss is that, in effect, it yields information regarding the convergence rate of the method; that is, Equation 4 can be re-arranged in terms of Figure 3 plots versus work for example values of"Y and n. e. e The simple Monte Carlo scheme considered here is practically identical to the limiting case of TD-A with A equal to one (TD-l differs in that its averaging of sampled, discounted returns is weighted with recency). Ongoing work (Duff) explores the connection between TD-A (Sutton, 1988), for general values of A, and Monte Carlo methods augmented by certain variance reduction techniques. Also, Barnard (Barnard) has noted that TD-O may be viewed as a stochastic approxima- Monte Carlo Matrix Inversion and Reinforcement Learning ~ 1.0 ... 0.9 0.8 Iterative Monte Carlo 0.7 0.6 0.5 0.4 0.3 0.2 0.1 0.0 0 10000 20000 30000 40000 50000 Work Figure 3: Error reduction versus work for "y = .9 and n = 100. tion method for solving (1). On-line RL methods for solving Markov Decision Problems, such as Real-Time Dynamic Programming (RTDP)(Barto et. al., 1991), share key features with the Monte Carlo method. As with many algorithms, RTDP does not require explicit knowledge of the transition matrix, P, and neither, of course, do the Monte Carlo algorithms. RTDP approximates solutions to Markov Decision Problems through repeated trials of simulated or actual control, focusing computation upon regions of the state space likely to be relevant in actual control. This computational "focusing" is also a feature of the Monte Carlo algorithms. While it is true that a focusing of sorts is exhibited by Monte Carlo algorithms in an obvious way by virtue of the fact that they can compute approximate solutions for single components of solution vectors without exerting the computational labor required to compute all solution components, a more subtle form of computational focusing also occurs. Some of the terms in the Neumann series (2) may be very unimportant and need not be represented in the statistical estimator at all. The Monte Carlo method's stochastic estimation process achieves this automatically by, in effect, making the appearance of the representative of a non-essential term a very rare event. These correspondences-between TD-O and stochastic approximation, between TD). and Monte Carlo methods with variance reduction, between DP-based RL algorithms for solving Markov Decision Problems and Monte Carlo algorithms together with the comparatively favorable scaling and convergence properties enjoyed by the simple Monte Carlo method discussed in this paper, suggest that DPbased RL methods like TD/stochastic-approximation or RTDP, though perceived to be slow, may actually be advantageous for problems having a sufficiently large 693 694 Barto and Duff number of states. Acknowledgement This material is based upon work supported by the National Science Foundation under Grant ECS-9214866. References E. Barnard. publication. Temporal-Difference Methods and Markov Models. Submitted for A. Barto, S. Bradtke, & S. Singh. (1991) Real-Time Learning and Control Using Asynchronous Dynamic Programming. Computer Science Department, University of Massachusetts, Tech. Rept. 91-57. 1. Curtiss. (1954) A Theoretical Comparison of the Efficiencies of Two Classical Methods and a Monte Carlo Method for Computing One Component of the Solution of a Set of Linear Algebraic Equations. In H. A. Mayer (ed.), Symposium on Monte Carlo Methods, 191-233. New york, NY: Wiley. M. Duff. A Control Variate Perspective for the Optimal Weighting of Truncated, Corrected Returns. In Preparation. S. Forsythe & R. Leibler. (1950) Matrix Inversion by a Monte Carlo Method. Math. Tables Other Aids Comput., 4:127-129. R. Howard. (1960) Dynamic Programming and Markov Proceses. Cambridge, MA: MIT Press. R. Rubinstein. (1981) Simulation and the Monte Carlo Method. New York, NY: Wiley. R. Sutton. (1988) Learning to Predict by the Method of Temporal Differences. Machine Learning 3:9-44. G. Tesauro. (1992) Practical Issues in Temporal Difference Learning. Learning 8:257-277. Machine W. Wasow. (1952) A Note on the Inversion of Matrices by Random Walks. Math. Tables Other Aids Comput., 6:78-81.
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Two-Dimensional Object Localization by Coarse-to-Fine Correlation Matching Chien-Ping Lu and Eric Mjolsness Department of Computer Science Yale University New Haven, CT 06520-8285 Abstract We present a Mean Field Theory method for locating twodimensional objects that have undergone rigid transformations. The resulting algorithm is a form of coarse-to-fine correlation matching. We first consider problems of matching synthetic point data, and derive a point matching objective function. A tractable line segment matching objective function is derived by considering each line segment as a dense collection of points, and approximating it by a sum of Gaussians. The algorithm is tested on real images from which line segments are extracted and matched. 1 Introduction Assume that an object in a scene can be viewed as an instance of the model placed in space by some spatial transformation, and object recognition is achieved by discovering an instance of the model in the scene. Two tightly coupled subproblems need to be solved for locating and recognizing the model: the correspondence problem (how are scene features put into correspondence with model features?), and the localization problem (what is the transformation that acceptably relates the model features to the scene features?). If the correspondence is known, the transformation can be determined easily by least squares procedures. Similarly, for known transformation, the correspondence can be found by aligning the model with the scene, or the problem becomes an assignment problem if the scene feature locations are jittered by noise. 985 986 Lu and Mjolsness Several approaches have been proposed to solve this problem. Some tree-pruning methods [1, 3] make hypotheses concerning the correspondence by searching over a tree in which each node represents a partial match. Each partial match is then evaluated through the pose that best fits it. In the generalized Hough transform or equivalently template matching approach [7, 3], optimal transformation parameters are computed for each possible pairing of a model feature and a scene feature, and these "optimal" parameters then "vote" for the closest candidate in the discretized transformation space. By contrast with the tree-pruning methods and the generalized Hough transform, we propose to formulate the problem as an objective function and optimize it directly by using Mean Field Theory (MFT) techniques from statistical physics, adapted as necessary to produce effective algorithms in the form of analog neural networks. 2 Point Matching Consider the problem of locating a two-dimensional "model" object that is believed to appear in the "scene". Assume first that both the model and the scene are represented by a set of "points" respectively, {xd and {Ya}. The problem is to recover the actual transformation (translation and rotation) that relates the two sets of points. It can be solved by minimizing the following objective function Ematch(Mia, 0, t) = L Miallxi - ReYa - tll 2 ia (1) = where {Mia} M is a Ofl-valued "match matrix" representing the unknown correspondence, Re is a rotation matrix with rotation angle 0, and t is a translation vector. 2.1 Constraints on match variables We need to enforce some constraints on correspondence (match) variables Mia; otherwise all Mia = a in (1). Here, we use the following constraint LMia = N, 'iMia ~ 0; (2) ia implying that there are exactly N matches among all possible matches, where N is the number of the model features. Summing over permutation matrices obeying this constraint, the effective objective function is approximately [5]: F(O, t, (3) = -.!. L 13 e-.8l1 x .- R8 y .. -tIl 2 , (3) ia which has the same fixed points as Epenalty(M, 0, t) = Ematch(M, 0, t) 1 +- 13 L Mia (log Mia - 1), (4) ia where Mia is treated as a continuous variable and is subject to the penalty function x(logx-l). Two-Dimensional Object Localization by Coarse-ta-Fine Correlation Matching Figure 1: Assume that there is only translation between the model and the scene, each containing 20 points. The objective functions at at different temperatures (,8- 1 ): 0.0512 (top left), 0.0128 (top right) , 0.0032 (bottom left) and 0.0008 (bottom right), are plotted as energy surfaces of x and y components of translation . Now, let j3 = 1/2u2 and write Epoint(O, t) = L e-~lIx,-R8y(1-tIl2. (5) ia The problem then becomes that of maximizing Epoint , which in turn can be interpretated as minimizing the Euclidean distance between two Gaussian-blurred images containing the scene points Xi and a transformed version of the model points Ya. Tracking the local maximum of the objective function from large u to small u, as in deterministic annealing and other continuation methods, corresponds to a coarseto-fine correlation matching. See Figure 1 for a demonstration of a simpler case in which only translation is applied to the model. 2.2 The descent dynamics A gradient descent dynamics for finding the saddle point of the effective objective function F is ia o -I\, L ia mia(Xi - R 9Ya - t)t(R9+~Ya) , (6) 987 988 Lu and Mjolsness = = where mia (Mia}/3 e-/3ll x .- R 8y,,-tIl 2 is the "soft correspondence" associated with Mia. Instead of updating t by descent dynamics, we can also solve for t directly. 3 The Vernier Network Though the effective objective is non-convex over translation at low temperatures, its dependence on rotation is non-convex even at relatively high temperatures. 3.1 Hierachical representation of variables We propose overcoming this problem by applying Mean Field Theory (M FT) to a hierachical representation of rotation resulting from the change of variables [4] B-1 o L Xb(Ob + (h), (h E [-te, te], (7) b=O where te = 7r /2B, Ob = (b + l)~ are the constant centers of the intervals, and (h are fine-scale "vernier" variabfes. The Xb'S are binary variables (so Xb E {O, I}) that satisfy the winner-take-all (WTA) constraint Lb Xb = 1. The essential reason that this hierarchical representation of 0 has fewer spurious local minima than the conventional analog representation is that the change of variables also changes the connectivity of the network's state space: big jumps in 0 can be achieved by local variations of X. 3.2 Epoint Vernier optimization dynamics can be transformed as (see [6, 4]) Epoint(O, t) ~vbl ~ 1 E(LXb(Ob +Ob),2:XV t b) b LXbE(Ov b + Ob, tb) b 1 Notation: Coordinate descent with 2-phase clock 'IlIa(t): (8) a ? EB for clocked sum ? x for a clamped variable ? x A for a set of variables to be optimized analytically ? (v, u)H for Hopfield/Grossberg dynamics ? E(x, y)fJJ for coordinate descent/ascent on x, then y, iterated if necessary. Nested angle brackets correspond to nested loops. Two-Dimensional Object Localization by Coarse-to-Fine Correlation Matching ? . e.. . ' ...... . ., . '. 0 . ? ? -. , , , 00? o " ? ? ?? ? ? ? 0 0 0? o ? ? ,0 '0,4), ? ? I ?? , .0 o I , 0 o? ???? <f> () 0 0 -0' COO ?? . , ? ? o? . ? c;P~ '. 0 , I ?? -. 0 ~ ~ ~ ? e, 00 .? 0 : .???? 0 , . .. Q, ? ? ? ~Q ~f) Q:)q ?? . I [) 0'?? ?) -?? , .. Figure 2: Shown here is an example of matching a 20-point model to a scene with 66.7% spurious outliers. The model is represented by circles. The set of square dots is an instance of the model in the scene. All other dots are outliers. From left to right are configurations at the annealing steps 1, 10, and 51, respectively. MFT ~ 1~ sinh(tub) [~ ~ XbE(th + Vb, tb) + ,8 ~(UbVb -log t ) A b b +WTA(x,,8)] (((v, u)H, t A ), XA)$ (9) Each bin-specific rotation angle Vb can be found by the following fixed point equations a ia (10) The algorithm is illustrated in Figure 2. 4 Line Segment Matching In many vision problems, representation of images by line segments has the advantage of compactness and subpixel accuracy along the direction transverse to the line. However, such a representation of an object may vary substantially from image to image due to occlusions and different illumination conditions. 4.1 Indexing points on line segements The problem of matching line segments can be thought of as a point matching problem in which each line segment is treated as a dense collection of points. Assume now that both the scene and the model are represented by a set of line segments respectively, {sil and {rna} . Both the model and the scene line segments are 989 990 Lu and Mjolsness '! o 1!io 'J ...../ \ ( " f \ D.' 1.2\ 1 S -e .lS Figure 3: Approximating e(t) by a sum of 3 Gaussians. represented by their endpoints as Si = (pi, p~) and rna = (qa, q~), where Pi, p~, and qa, q~ are the endpoints of the ith scene segment and the ath model segment, respectively. The locations of the points on each scene segment and model segments can be parameterized as + u(p~ Ya = IDa(v) = qa + v(q~ Xi = Si(U) = Pi Pi), U (ll) E [0,1] and (12) qa), v E [0,1]. Now the model points and the scene points can be though of as indexed by i = (i, u) and a (a, v). Using this indexing, we have Li ex Li Ii Jol du and La ex La1aJoi dv, where Ii = Ilpi-P~II andla = IIqa-q~ll? The point matching objective function (5) can be specialized to line segment matching as [5] = Eseg((}, t) =L hla ia t (I e- ~IIS.(u)-Rem,,(v)-tIl2 du dv. (13) Jo Jo As a special case of point matching objective function, (13) can readily be transformed to the vernier network previously developed for point matching problem. 4.2 Gaussian sum approximation Note that, as in Figure 3 and [5], e (t) -_ {Io if t E [0: 1] ~ 1 (Ck - t)2 otherWIse ~ ~ Ak exp -"2 (72 k~I (14) k where by numerical minimization of the Euclidean distance between these two functions of t, the parameters may be chosen as Al = A3 = 0.800673, A2 = 1.09862, (71 = (73 = 0.0929032, (72 = 0.237033, C1 = 1 - C3 = 0.1l6807, and C2 = 0.5. Using this approximation, each finite double integral in (13) can be replaced by 3 k~l AkAl 1+ 1+ 00 -00 00 -00 _ _1_(Ck_U)2 e 2"'~ - 1 e ~ (cr-v)2 1 e- 2,;2l1 s .(u)+ R t em,,(v)- 2 II du dv. (15) Each of these nine Gaussian integrals can be done exactly. Defining = Si(Ck) - Rema(cl) - t Pi = pi - Pi, qa = Re(q~ - qa), Viakl (16) (17) Two-Dimensional Object Localization by Coarse-to-Fine Correlation Matching Figure 4: The model line segments, which are transformed with the optimal parameter found by the matching algorithm, are overlayed on the scene image. The algorithm has successfully located the model object in the scene. (15) becomes 1 vlaklu2 X exp -"2 + (Viakl pd2u~ + (Viakl Qa)2uf (u2 + f>;un(u2 + Q~uf) - U~U;(f>i . Qa)2 X X (18) as was calculated by Garrett [2, 5]. From the Gaussian sum approximation, we get a closed form objective function which can be readily optimized to give a solution to the line segment matching problem. 5 Results and Discussion The line segment matching algorithm described in this paper was tested on scenes captured by a CCD camera producing 640 x 480 images, which were then processed by an edge detector. Line segments were extracted using a polygonal approximation to the edge images. The model line segments were extracted from a scene containing a canonically positioned model object (Figure 4 left). They were then matched to that extracted from a scene containing differently positioned and partially occluded model object (Figure 4 nght). The result of matching is shown in Figure 5. Our approach is based on a scale-space continuation scheme derived from an application of Mean Field Theory to the match variables. It provides a means to avoid trapping by local extrema and is more efficient than stochastic searches such as simulated annealing. The estimation of location parameters based on continuously improved "soft correspondences" and scale-space is often more robust than that based on crisp (but usually inaccurate) correspondences. The vernier optimization dynamics arises from an application of Mean Field Theory to a hierarchical representation of the rotation, which turns the original unconstrained optimization problem over rotation into several constrained optimization problems over smaller intervals. Such a transformation results in a Hopfield-style e e 991 992 Lu and Mjolsness Figure 5: Shows how the model line segments (gray) and the scene segments (black) are matched. The model line segments, which are transformed with the optimal parameter found by the matching algorithm, are overlayed on the scene line segments with which they are matched. Most of the the endpoints and the lengths of the line segments are different. Furthermore, one long segment frequently corresponds to several short ones. However, the matching algorithm is robust enough to uncover the underlying rigid transformation from the incomplete and ambiguous data. dynamics on rotation 0, which effectively coordinates the dynamics of rotation and translation during the optimization. The algorithm tends to find a roughly correct translation first, and then tunes up the rotation. 6 Acknowledgements This work was supported under grant NOOOl4-92-J-4048 from ONRjDARPA. References [1] H. S. Baird. Model-Based Image Matching Using Location . The MIT Press, Cambridge, Massachusetts, first edition, 84. [2] C. Garrett, 1990. Private communication to Eric Mjolsness. [3] W. E. L. Grimson and T. Lozano-Perez. Localizing overlapping parts by searching the interpretation tree. IEEE Transaction on Pattern Analysis and Machine Int elligence, 9 :469-482, 1987. [4] C.-P. Lu and E. Mjolsness. Mean field point matching by vernier network and by generalized Hough transform. In World Congress on Neural Networks, pages 674-684, 1993. [5] E. Mjolsness. Bayesian inference on visual grammars by neural nets that optimize. In SPIE Science of Artificial Neural Networks, pages 63-85, April 1992. [6] E. Mjolsness and W. L. Miranker. Greedy Lagrangians for neural networks: Three levels of optimization in relaxation dynamics. Technical Report YALEUjDCSjTR-945, Yale Computer Science Department, January 1993. [7] G. Stockman. Object recognition and localization via pose clustering. Computer Vision, Graphics, and Image Processing, (40), 1987.
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The Role of MT Neuron Receptive Field Surrounds in Computing Object Shape from Velocity Fields G.T.Buracas & T.D.Albright Vision Center Laboratory, The Salk Institute, P.O.Box 85800, San Diego, California 92138-9216 Abstract The goal of this work was to investigate the role of primate MT neurons in solving the structure from motion (SFM) problem. Three types of receptive field (RF) surrounds found in area MT neurons (K.Tanaka et al.,1986; Allman et al.,1985) correspond, as our analysis suggests, to the oth, pt and 2 nd order fuzzy space-differential operators. The large surround/center radius ratio (;::: 7) allows both differentiation of smooth velocity fields and discontinuity detection at boundaries of objects. The model is in agreement with recent psychophysical data on surface interpolation involvement in SFM. We suggest that area MT partially segregates information about object shape from information about spatial relations necessary for navigation and manipulation. 1 INTRODUCTION Both neurophysiological investigations [8] and lesioned human patients' data show that the Middle Temporal (MT) cortical area is crucial to perceiving three-dimensional shape in moving stimuli. On the other hand, 969 970 Buracas and Albright a solid body of data (e.g. [1]) has been gathered about functional properties of neurons in the area MT. Hoever, the relation between our ability to perceive structure in stimuli, simulating 3-D objects, and neuronal properties has not been addressed up to date. Here we discuss a possibility, that area MT RF surrounds might be involved in shape-frommotion perception. We introduce a simplifying model of MT neurons and analyse the implications to SFM problem solving. 2 REDEFINING THE SFM PROBLEM 2.1 RELATIVE MOTION AS A CUE FOR RELATIVE DEPTH Since Helmholtz motion parallax is known to be a powerful cue providing information about both the structure of the surrounding environment and the direction of self-motion. On the other hand, moving objects also induce velocity fields allowing judgement about their shapes. We can capture both cases by assuming that an observer is tracking a point on a surface of interest. The velocity field of an object then is (fig. 1): V = t z + W x (R - Ro) =-tz+wxz, where w=[wx,wy,O] is an effective rotation vector of a surface z=[x,y,z(x,y)]; Ro=[O,O,zo] is a positional vector of the fixation point; t z is a translational component along Z axis. z Fig.l: The coordinate system assumed in this paper. The origin is set at the fixation point. The observer is at Zo distance from a surface. The Role of MT Neuron Receptive Field Surrounds in Computing Object Shape The component velocities of a retinal velocity field under perspective projection can be calculated from: -xt z - WxXY+WyX 2 WxZ V=-"-- (Zo + Z)2 -yt z +WyXY-W xy 2 Zo +Z (Zo + Z)2 In natural viewing conditions the distance to the surface Zo is usually much larger than variation in distance on the surface z : zo?z. In such the second term in the above equations vanishes. In the case of translation tangential to the ground, to which we confine our analysis, w=[O,wy,O] = [O,w,O], and the retinal velocity reduces to u = -wz/(zo+z) : : : -wz/zo ' v=O (1). The latter relation allows the assumption of orthographic projection, which approximates the retinal velocity field rather well within the central 20 deg of the visual field. 2.2 SFM PERCEPTION INVOLVES SURFACE INTERPOLATION Human SFM perception is characterized by an interesting peculiarity -surface interpolation [7]. This fact supports the hypothesis that an assumption of surface continuity is embedded in visual system. Thus, we can redefine the SFM problem as a problem of characterizing the interpolating surfaces. The principal normal curvatures are a local measure of surface invariant with respect to translation and rotation of the coordinate system. The orientation of the surface (normal vector) and its distance to the observer provide the information essential for navigation and object manipulation. The first and second order differentials of a surface function allow recovery of both surface curvature and orientation. 3 MODEL OF AREA MT RECEPTIVE FIELD SURROUNDS 3.1 THREE TYPES OF RECEPTIVE FIELD SURROUNDS The Middle Temporal (MT) area of monkeys is specialized for the systematic representation of direction and velocity of visual motion [1,2]. MT neurons are known to posess large, silent (RFS, the "nonclassical RF". Born and Tootell [4] have very recently reported that the RF surrounds of neurons in owl monkey MT can be divided into antagonistic and synergistic types (Fig.2a). 971 972 Buracas and Albright a) 25 ~2O ~ 15 ~10 enc. 5 o~~----~------~ o 10 20 AnnlJus diameter deg Fig.2: Top left (a): an example of a synergistic RF surround, redrawn from [4] (no velocity tuning known). Bottom left (b): a typical V-shaped tuning curve for RF surround The horizontal axis represents the logarithmic scale of ratio between stimulus speeds in the RF center and surround, redrawn from [9]. Bottom (c,d): monotonically increasing and decreasing tuning curves for RF surrounds, redrawn from [9]. b) 1 III Ql 0.8 > (II ,.. cc: 06 . ?I Q. 4 Gi (II a: 2! O. 0.2 0 0.1 c) 1 V 1 Rotio of CIS speeds Ql Ql 0.8 > til '' ; ~ 0.6 ?I Q. Qj til 0.4 a: 2! 0.2 10 0 0 .1 c:t 1 J 1 Q8 06 04 02 10 R otIo of CIS speeds 0 01 ~ 1 10 RatootCS speeds About 44% of the owl monkey neuron RF8s recorded by Allman et al. [3] showed antagonistic properties. Approximately 33% of these demonstrated V(or U)-shaped (Fig.2b), and 66% - quasi-linear velocity tuning curves (Fig.2c,d). One half of Macaca fuscata neurons with antagonistic RF8 found by Tanaka et al [9] have had V(U)-shaped velocity tuning curves, and 50% monotonically increasing or decreasing velocity tuning curves. The RF8 were tested for symmetry [9] and no asymmetrical surrounds were found in primate MT. 3.2 CONSTRUCTING IDEALIZED MT FILTERS The surround (8) and center (C) responses seem to be largely independent (except for the requirement that the velocity in the center must be nonzero) and seem to combine in an additive fashion [5]. This property allows us to combine C and 8 components in our model independently. The resulting filters can be reduced to three types, described below. 3.2.1 Discrete Filters The essential properties of the three types of RF8s in area MT can be captured by the following difference equations. We choose the slopes of velocity tuning curves in the center to be equal to the ones in the surround; this is essential for obtaining the desired properties for 12 but not 10 , The 0order (or low-pass) and the 2nd order (or band-pass) filters are defined by: The Role of MT Neuron Receptive Field Surrounds in Computing Object Shape i j i j where g is gain, Wij =1, ije [-r,r] (r = radius of integration). Speed scalars u(iJ) at points [ij] replace the velocity vectors V due to eq. (1). Constants correspond to spontaneous activity levels. In order to achieve the V(U) -shaped tuning for the surround in Fig.2b, a nonlinearity has to be introduced: II = gl L L (u e i Us (i,j))2 + Constl. (3) j The responses of 11 and 12 filters to standard mapping stimuli used in [3,9] are plotted together with their biological correlates in Fig.3. 3.2.2 Continuous analogues of MT filters We now develop continuous, more biologicaly plausible, versions of our three MT filters. We assume that synaptic weights for both center and surround regions fall off with distance from the RF center as a Gaussian function G(x,y,O'), and 0' is different for center and surround: O'c 7; O's. Then, by convolving with Gaussians equation (2) can be rewritten: Lo (i,j) = u(i, j)* G( 0' e) + u(i,j)* G( 0' s ), L~ (i, j ) = ? [u ( i , j ) * G ( 0' e )- U( i, j) * G ( 0' s )]. The continuous nonlinear Ll filter can be defined if equivalence to 11 (eq. 3) is observed only up to the second order term of power series for u(ij): LI (i, j) = U2 (i, j ) * G ( 0' e ) + U2 (i, j ) * G ( 0' s ) - C . [ u ( i , j ) * G ( 0' e )]. [u ( i , j ) * G ( 0' s )]; u 2(ij) corresponds to full-wave rectification and seems to be common in area VI complex neurons; C = 2IErf2(nl2 112 ) is a constant, and Erf() is an error function. 3.3 THE ROLE OF MT NEURONS IN SFM PERCEPTION. Expanding z(x,y) function in (1) into power series around an arbitrary point and truncating above the second order term yields: u(x,y)=w(ax2+by2+cxy+dx+ey+Olzo, where a,b,c,d,e,f are expansion coefficients. We assume that w is known (from proprioceptive input) and =1. Then Zo remans an unresolved scaling factor and we omit it for simplicity. 973 974 Buracas and Albright 0.5 0 0.5 0 0.5 0 J L, / L+, V J ~ 1/4 112 I Fig. 3: The comparison between data [9] and model velocity tuning curves for RF surrounds. The standard mapping stimuli (optimaly moving bar in the center of RF, an annulus of random dots with varying speed) were applied to L1 and L2 filters. Thee output of the filters was passed through a sigmoid transfer function to accout for a logarithmic compresion in the data. MODEL DATA ~ 1/4 112 I 2 4 Fig. 4: Below, left: the response profile of the L1 filter in orientation space (x and y axes represent the components of normal vector). Right: the response profile of the L2 filter in curvature space. x and y axes represent the two normal principal curvatures. L2 2 4 Surround/Center speed ratio L2 response in curvature space -15 -10 -5 o 5 10 15 -15 -10 ?5 o 5 10 15 Applying Lo on u(x,y), high spatial frequency information is filtered out, but otherwise u(x,y) does not change, i.e. Lo*u covaries with lower frequencies ofu(x,y). L2 applied on u(x,y) yields: L2 * U = (2 a + 2 b ) C2 (0' ~ - 0'; ) = C2 ( 0' ~ - 0'; ) V 2 U , (4) that is, L2 shows properties of the second order space-differential operator Laplacian; C2(O'c 2 - 0'82) is a constant depending only on the widths of the center and surround Gaussians. Note that L2*u == 1<:1 + 1<:2 ' (1<:12 are principal normal curvatures) at singular points of surface z(x,y). ' The Role of MT Neuron Receptive Field Surrounds in Computing Object Shape When applied on planar stimuli up(x,y) = d x + e y, L1 has properties of a squared first order differential operator: ~ *up = (d 2 +e 2 )C, (a~ -a;) = C, (a~ -a; >( (!)2 +( ~)2 )up, (5) where C2(O'e 2 - O's2) is a function of O'e and O's only. Thus the output of L1 is monotonically related to the norm of gradient vector. It is straightforward to calculate the generic second order surface based on outputs of three Lo, four L1 and one L2 filters. Plotting the responses of L1 and L2 filters in orientation and curvature space can help to estimate the role they play in solving the SFM problem (FigA). The iso-response lines in the plot reflect the ambiguity of MT filter responses. However, these responses covary with useful geometric properties of surfaces -- norm of gradient (L 1) and mean curvature (L 2). 3.4 EXTRACTING VECTOR QUANTITIES Equations (4) and (5) show, that only averaged scalar quantities can be extracted by our MT operators. The second order directional derivatives for estimating vectorial quantities can be computed using an oriented RFs with the following profile: 02=G(x,O's) [G(y,O's) - G(y'O'e)). 01 then can be defined by the center - surround relationship of L1 filter. The outputs of MT filters L1 and L2 might be indispensible in normalizing responses of oriented filters. The normal surface curvature can be readily extracted using combinations of MT and hypothetical filters. The oriented spatial differential operators have not been found in primate area MT so far. However, preliminary data from our lab indicate that elongated RFs may be present in areas FST or MST [6). ? 3.5 L2: LAPLACIAN VS. NAKAYAMA'S CONVEXITY OPERATOR The physiologically tested ratio of standard deviations for center and surround Gaussians O'/O'e ;::: 7. Thus, besides performing the second order differentiation in the low frequency domain, L2 can detect discontinuities in optic flow. 4. CONCLUSIONS We propose that the RF surrounds in MT may enable the neurons to function as differential operators. The described operators can be thought of as providing a continuous interpolation of cortically represented surfaces. Our model predicts that elongated RFs with flanking surrounds will be found (possibly in areas FST or MST [6]). These RFs would allow extraction 975 976 Buracas and Albright of the directional derivatives necessary to estimate the principal curvatures and the normal vector of surfaces. From velocity fields, area MT extracts information relevant to both the "where" stream (motion trajectory, spatial orientation and relative distance of surfaces) and the "what" stream (curvature of surfaces). Acknowledgements Many thanks to George Carman, Lisa Croner, and Kechen Zhang for stimulating discussions and Jurate Bausyte for helpful comments on the poster. This project was sponsored by a grant from the National Eye Institute to TDA and by a scholarship from the Lithuanian Foundation to GTB. The presentation was supported by a travel grant from the NIPS foundation. References [1] Albright, T.D. (1984) Direction and orientation selectivity of neurons in visual area MT of the macaque. J. Neurophysiol., 52: 1106-1130. [2] Albright, T.D., R.Desimone. (1987) Local precision of visuotopic organization in the middle temporal area (MT) of the macaque. Exp.Brain Res., 65, 582-592. [3] Allman, J., Miezin, F., McGuinnes. (1985) Stimulus specific responses from beyond the classical receptive field. Ann.Rev.Neurosci., 8, 407-430. [4] Born R.T. & Tootell R.B.H. (1992) Segregation of global and local motion processing in primate middle temporal visual area. Nature, 357, 497-499. [5] Born R.T. & Tootell R.B.H. (1993) Center - surround interactions in direction - selective neurons of primate visual area MT. Neurosci. Abstr., 19,315.5. [6] Carman G.J., unpublished results. [7] Hussain M., Treue S. & Andersen R.A. (1989) Surface interpolation in three-dimensional Structure-from-Motion perception. Neural Computation, 1,324-333. [8] Siegel, R.M. and R.A. Andersen. (1987) Motion perceptual deficits following ibotenic acid lesions of the middle temporal area in the behaving rhesus monkey. Soc.Neurosci.Abstr., 12, 1183. [9]Tanaka, K., Hikosaka, K., Saito, H.-A., Yukie, M., Fukada, Y., Iwai, E. (1986) Analysis of local and wide-field movements in the superior temporal visual areas of the macaque monkey. J.Neurosci., 6,134-144.
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Development of Orientation and Ocular Dominance Columns in Infant Macaques Klaus Obermayer Howard Hughes Medical Institute Salk-Institute La Jolla, CA 92037 Lynne Kiorpes Center for Neural Science New York University New York, NY 10003 Gary G. Blasdel Department of Neurobiology Harvard Medical School Boston, MA 02115 Abstract Maps of orientation preference and ocular dominance were recorded optically from the cortices of 5 infant macaque monkeys, ranging in age from 3.5 to 14 weeks. In agreement with previous observations, we found that basic features of orientation and ocular dominance maps, as well as correlations between them, are present and robust by 3.5 weeks of age. We did observe changes in the strength of ocular dominance signals, as well as in the spacing of ocular dominance bands, both of which increased steadily between 3.5 and 14 weeks of age. The latter finding suggests that the adult spacing of ocular dominance bands depends on cortical growth in neonatal animals. Since we found no corresponding increase in the spacing of orientation preferences, however, there is a possibility that the orientation preferences of some cells change as the cortical surface expands. Since correlations between the patterns of orientation selectivity and ocular dominance are present at an age, when the visual system is still immature, it seems more likely that their development may be an innate process and may not require extensive visual experience. 543 544 Obennayer, Kiorpes, and Blasdel 1 INTRODUCTION Over the past years, high-resolution images of the simultaneous representation of orientation selectivity and ocular dominance have been obtained in large areas of macaque striate cortex using optical techniques [3, 4, 5, 6, 12, 18]. These studies confirmed that ocular dominance and orientation preference are organized in large parts in slabs. While optical recordings of ocular dominance are in accordance with previous findings, it turned out that iso-orientation slabs are much shorter than expected, and that the orientation map contains several other important elements of organization - singularities, fractures, and saddle-points. A comparison between maps of orientation preference and ocular dominance, which were derived from the same region of adult monkey striate cortex, showed a pronounced relationship between both patterns [5, 12, 13, 15, 17]. Fourier analyses, for example, reveal that orientation preferences repeat at closer intervals along the ocular dominance slabs than they do across them. Singularities were found to align with the centers of ocular dominance bands, and the iso-orientation bands, which connect them, intersect the borders of ocular dominance bands preferably at angles close to 90?. Given the fact that these relationships between the maps of orientation and ocular dominance are present in all maps recorded from adult macaques, one naturally wonders how this organization matures. If the ocular dominance slabs were to emerge initially, for example, the narrower slabs of iso-orientation might later develop in between. This might seem likely given the anatomical segregation which is apparent for ocular dominance but not for orientation [9]. However, this possibility is contradicted by physiological studies that show normal, adult-like sequences of orientation preference in the early postnatal weeks in macaque when ocular dominance slabs are still immature [19]. The latter findings suggest a different developmental hypothesis; that the organization into regions of different orientation preferences may precede or even guide ocular dominance formation. A third possibility, consistent with both previous results, is that orientation and ocular dominance maps form independently and align in later stages of development. In order to provide evidence for one or the other hypothesis, we investigated the relationship between ocular dominance and orientation preference in very young macaque monkeys. Results are presented in the remainder of this paper. Section 2 contains an overview about the experimental data, and section 3 relates the data to previous modelling efforts. 2 2.1 ORIENTATION AND OCULAR DOMINANCE COLUMNS IN INFANT MACAQUES THE OVERALL STRUCTURE Figure 1 shows the map of orientation preference (Fig. 1a) and ocular dominance (Fig. 1b) recorded from area 17 of a 3.5 week old macaque. 1 Both maps look similar 1 For all animals orientation and ocular dominance were recorded from a region close to the border to area 18 and close to midline. Development of Orientation and Ocular Dominance Columns in Infant Macaques a b C Figure 1: Spatial pattern of orientation preference and ocular dominance recorded from area 17 of a macaque, 3.5 weeks of age. Figures (a) and (b) show orientation preferences and ocular dominance bands within the same 3.1 mm x 4.3 mm large region of striate cortex. Brightness values in Fig. (a) indicate orientation preferences, where the interval of 180? is represented by the progression in colors from black to white. Brightness values in Fig . (b) indicate ocular dominance, where bright and dark denote ipsi- and contralateral eye-preference. respectively. The data was recorded from a region close to the border to area 18 and close to midline. Figure (c) shows an enlarged section of this map in the preference (left) and the in contour plot (right) representations. Iso-orientation lines on the right indicate intervals of 11.25?. Letters indicate linear zones (L), saddle points (H), singularities (S), and fractures (F). to maps which have been recorded from adults. The orientation map exhibits all of the local elements which have been described [12, 13]: linear zones, saddle points, 545 546 Obermayer, Kiorpes, and Blasdel a b -0 41) .~ ::: ')..r = 741pm .... ')..7; =612pm 00 A. =724f.1m 1.0 (ij 0.8 E .... 0 0.6 .... 0.4 c: ? 1.2 41) ~ 0 a. 0.2 0.0 0 1 2 3 4 5 spatial frequency [l/mm] c 1.0 - - - - - - - - - - - , c: o -.:::: ...-. 0-0 c: 41) .a.~ 0.5 cCU .2 E 100 -4 1c: )- ... o 0.0 o -0.5 o 200 400 distance 600 [~m] 800 Figure 2: Fourieranalysis of the orientation map shown in Figure la. (a) Complex 2D-Fouriertransform. Each pixel corresponds to one Fouriermode and its blackness indicates the corresponding energy. A distance of one pixel corresponds to O.23/mm. (b) Power as a function of radial spatial frequency. (c) Autocorrelations Sij as a function of distance. The indices i, j E {3,4} denote the two cartesian coordinates of the orientation preference vector. For details on the calculation see [13, 15]. singularities, and fractures (Fig. lc). The ocular dominance map shows its typical pattern of alternating bands. Figure 2a shows the result of a complex 2D Fourier transform of the orientation map shown in Figure la. Like for maps recorded from adult monkeys [13] the spectrum is characterized by a slightly elliptical band of modes which is centered at the origin. The major axis approximately aligns with the axis parallel to the border to area 18 as well as with the ocular dominance bands. Therefore, like in the adults, the orientatiQn map is stretched perpendicular to the ocular dominance bands, apparently to adjust to the wider spacing. When one neglects the slight anisotropy of the Fourier spectra one can estimate a power spectrum by averaging the squared Fourier amplitudes for similar frequencies. The result is a pronounced peak whose location is given by the characteristic frequency of the orientation map (Fig. 2b). As a consequence, autocorrelation functions have a Mexican-hat shape (Fig. 2c), much like it has been reported for adults [13, 15]. In summary, the basic features of the patterns of orientation and ocular dominance are established as early as 3.5 weeks of age. Data which were recorded from four Development of Orientation and Ocular Dominance Columns in Infant Macaques Table 1: Characteristic wavelengths (AOD) and signal strengths ?TOD) for the ocular dominance pattern, as well as characteristic wavelengths p.op), density of +180?singularities (p+), density of -180?-singularities (p_), total density of singularities (p), and percentage of area covered by linear zones (alin) for the orientation pattern as a function of age. age (weeks) UOD 3.5 5.5 7.5 14 adult 0.92 0.96 0.66 1.23 1.36 >'OD >'OP (}jm) (}jm) p+ (mm- 2 ) p(mm- 2 ) P (mm- 2 ) alin (% area) 686 730 870 917 950 660 714 615 700 768 3.9 3.7 4.5 3.9 3.9 3.9 3.7 4.5 3.8 3.8 7.8 7.4 9.0 7.7 7.7 47 49 45 36 43 other infants ranging from 5.5 to 14 weeks (not shown) confirm the above findings. 2.2 CHARACTERISTIC WAVELENGTHS AND SIGNAL STRENGTH A more detailled analysis of the recorded patterns, however, reveals changes of certain features with age. Table 1 shows the changes in the typical wavelength of the orientation and ocular dominance patterns as well as the (normalized) ocular dominance signal strength with age. The strength of the ocular dominance signal increases by a factor of 1.5 between 3.5 weeks and adulthood, a fact, which could be explained by the still ongoing segregation of fibers within layer IV c. The spacing of the ocular dominance columns increases by approximately 30% between 3.5 weeks and adulthood. This change in spacing would be consistent with the growth of cortical surface area during this period [16] if one assumes that cortex grows anisotropically in the direction perpendicular to the ocular dominance bands. Interestingly, the characteristic wavelengths of the orientation patterns do not exhibit such an increase. The wavelengths for the patterns recorded from the different infants are close to the "adult" values. More evidence for a stable orientation pattern is provided by the fact, that the density of'singularities is approximately constant with age 2 and that the percentage of cortical area covered by linear zones does neither increase nor decrease. Hence we are left with the puzzle that at least the pattern of orientation does not follow cortical growth. 2.3 CORRELATIONS BETWEEN THE ORIENTATION AND OCULAR DOMINANCE MAPS Figure 3 shows a contour plot representation of the pattern of orientation preference in overlay with the borders of the ocular dominance bands for the 3.5 week old animal. Iso-orientation contours (thin lines) indicate intervals of 15?. Thick lines indicate the border of the ocular dominance bands. From visual inspection it is 2Note that both types of singularities appear in equal numbers. 547 S48 Obennayer. Kiorpes. and Blasdel Figure 3: Contour plot representation of t.he orient.a.t.ion map shown in Figure la in overlay with the borders of the ocular dominance bands taken from Figure 1b. Iso-orient.ation lines (thin lines) indicate intervals of 15?. The borders of the ocular dominance bands are indicated by thick lines. already apparent that singularities have a strong tendency to align with the center of the ocular dominance bands (arrow 1) and that in the linear zones (arrow 2), where iso-orientation bands exist, these bands intersect ocular dominance bands at angles close to 90? most of the time. Table 2 shows a quantitative analysis of the local intersection angle. Percentage of area covered by linear zones (cf. [12] for details of the calculation) is given for regions, where orientation bands intersect ocular dominance bands within 18? of perpendicular, and regions where they intersect within 18? of parallel. For all of the animals investigated the percentages are two to four times higher for regions, where orientation bands intersect ocular dominance bands at angles close to 90?, much like it has been observed in adults [12]. In particular there is no consistent trend with age: the correlations between the orientation and ocular dominance maps are established as early as 3.5 weeks of age. aperp Un par age (weeks) (%area) (% area) 3.5 5.5 7.5 14 adult 15.9 12.2 13.3 12.4 18.0 4.1 6.8 6.2 3.7 2.7 a'in Table 2: Percentage of area covered by linear zones as a function of age for regions, where orientation bands intersect ocular dominance bands within 18? of perpendicular (af/::'P) , and regions where they intersect within 18? of parallel (afi~) (cf. [12] for details of the calculation). Development of Orientation and Ocular Dominance Columns in Infant Macaques 3 CONCLUSIONS AND RELATION TO MODELLING In summary, our results provide evidence that the pattern of orientation is established at a time when the pattern of ocular dominance is still developing. However, they provide also evidence for the fact that the pattern of orientation is not linked to cortical growth. This latter finding still needs to be firmly established in studies where the development of orientation is followed in one and the same animal. But if it is taken seriously the consequence would be that orientation preferences may shift. and that pairs of singularities are formed. The early presence of strong correlations between both maps indicate that the development of orientation and ocular dominance are not independent processes. Both patterns have to adjust. to each other while cortex is growing. It, therefore, seems as if the third hypothesis is true (see Introduction) which states that both patterns develop independently and adjust to each other in the late stages of development. As has been shown in [13, 15] and is suggested in [7, 14] these processes are certainly in the realm of models based on Hebbian learning. Many features of the orientation and ocular dominance maps are present at an age when the visual system of the monkey is still immature [8, 11]. In particular, they are present at a time when spatial vision is strongly impared. Consequently, it seems unlikely that the development of these features as well as of the correlations between both patterns requires high acuity form vision, and models which try to predict the structure of these maps from the structure of visual images [1, 2, 10] have to take this fact into account. The early development of orientation preference and its correlations with ocular dominance make it also seem more likely that their development may me an innate process and may not require extensive visua.l experience. Further experiments, however, are needed to settle these questions. Acknowledgements This work was funded in part by the Klingenstein Foundation, the McKnight Foundation, the New England Primate Research Center (P51RR0168-31), the Seaver Institute, and the Howard Hughes Medical Institute. We thank Terry Sejnowski, Peter Dayan, and Rich Zemel for useful comments on the manuscript. Linda Ascomb, Jaqueline Mack, and Gina Quinn provided excellent technical assistance. References [1] H. G. Barrow and A. J. Bray. Activity induced color blob formation . In I. Alexander and J. Taylor, editors, Artificial Neural Networks II, pages 5-9. Elsevier Publishers, 1992. [2] H. G. Barrow and A. J. Bray. A model of the adaptive development of complex cortical cells. In I. Alexander and J. Taylor, editors, A rtificial Neural Networks II, pages 1-4. Elsevier Publishers, 1992. [3] E. Bartfeld and A. Grinvald. Relationships between orientation-preference pinwheels, cytochrome oxidase blobs, and ocular-dominance columns in primate striate cortex. Proc. Nail. Acad. Sci . USA, 89:11905-11909, 1992 . 549 550 Obennayer, Kiorpes, and Blasdel [4] G. G. Blasdel. Differential imaging of ocular dominance and orientat.ion selectivity in monkey striate cortex. J. Neurosci., 12:3117-31:>8, 1992. [5] G. G. Blasdel. Orientation selectivity, preference, and continuity in monkey striate cortex. J. Neuroscl., 12:3139-3161, 1992. [6] G. G. Blasdel and G. Salama. Voltage sensitive dyes reveal a modular organization in monkey striate cortex. Nature, 321:579-585, 1986. [7] R. Durbin and G. Mitchison. A dimension reduction framework for understanding cortical maps. Nature, 343:644-647, 1990. [8] L. Kiorpes and T. Movshon. Behavioural analysis of visual development. In J. R. Coleman, editor, Development of Sensory Systems m Mammals, pages 125-154. John Wiley, 1990. [9] S. LeVay, D. H. Hubel, and T. N. Wiesel. The development of ocular dominance columns in normal and visually deprived monkeys. J. Compo Neurol., 191:1-51, 1980. [10] Y. Liu and H. Shouval. Principal component analysis of natural images - an analytic solution. Preprint. [11] T. Movshon and L. Kiorpes. Biological limits on visual development. in primates. In K. Simon, editor, Handbook of Infant Vision. Oxford University Press, 1993. in press. [12] K. Obermayer and G. G . Blasdel. Geometry of orientation and ocular dominance columns in monkey striate cortex. J. Neurosci., 13:4114-4129, 1993. [13] K. Obermayer, G. G. Blasdel, and K. Schulten. A statistical mechanical a.nalysis of self-organization and pattern formation during the development of visual maps. Phys. Rev. A15, 45:7568-7589, 1992. [14] K. Obermayer, H. Ritter, and K. Schulten. A principle for the forma.t.ion of the spatial structure of cortical feature maps. Proc. Natl. Acad. Sci. USA, 87:8345-8349, 1990. [15] K. Obermayer, K. Schulten, and G. G. Blasdel. A comparison of a neural network model for the formation of brain maps with experimental data. In D. S. Touretzky and R. Lippman, editors, Advances in Neural Information Processing Systems ./, pages 83-90. Morgan Kaufmann Publishers, 1992. [16] D. Purves and A. LaMantia. Development of blobs in the visual cortex of macaques. J. Compo Neurol., 332:1-7,1993. [17] N. Swindale. A model for the coordinated development of columnar systems in primate striate cortex . Bioi. Cybern., 66:217-230, 1992. [18] D. Y. Tso, R. D. Frostig, E. E. Lieke, and A. Grinvald. Functional organization of primate visual cortex revealed by high resolution optical ima.ging. Science, 249:417-420, 1990. [19] T. N. Wiesel and D . H. Rubel. Ordered arrangement of orientation columns in monkeys lacking visual experience. J. 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