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A gradient sampling method with complexity guarantees for Lipschitz functions in high and low dimensions
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Zhang et al. (ICML 2020) introduced a novel modification of Goldstein's classical subgradient method, with an efficiency guarantee of $O(\varepsilon^{-4})$ for minimizing Lipschitz functions. Their work, however, makes use of an oracle that is not efficiently implementable. In this paper, we obtain the same efficiency guarantee with a standard subgradient oracle, thus making our algorithm efficiently implementable. Our resulting method works on any Lipschitz function whose value and gradient can be evaluated at points of differentiability. We additionally present a new cutting plane algorithm that achieves an efficiency of $O(d\varepsilon^{-2}\log S)$ for the class of $S$-smooth (and possibly non-convex) functions in low dimensions. Strikingly, this $\epsilon$-dependence matches the lower bounds for the convex setting.
Damek Davis, Dmitriy Drusvyatskiy, Yin Tat Lee, Swati Padmanabhan, Guanghao Ye
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2,022
neurips
Feature-Proxy Transformer for Few-Shot Segmentation
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Few-shot segmentation~(FSS) aims at performing semantic segmentation on novel classes given a few annotated support samples. With a rethink of recent advances, we find that the current FSS framework has deviated far from the supervised segmentation framework: Given the deep features, FSS methods typically use an intricate decoder to perform sophisticated pixel-wise matching, while the supervised segmentation methods use a simple linear classification head. Due to the intricacy of the decoder and its matching pipeline, it is not easy to follow such an FSS framework. This paper revives the straightforward framework of ``feature extractor $+$ linear classification head'' and proposes a novel Feature-Proxy Transformer (FPTrans) method, in which the ``proxy'' is the vector representing a semantic class in the linear classification head. FPTrans has two keypoints for learning discriminative features and representative proxies: 1) To better utilize the limited support samples, the feature extractor makes the query interact with the support features from bottom to top layers using a novel prompting strategy. 2) FPTrans uses multiple local background proxies (instead of a single one) because the background is not homogeneous and may contain some novel foreground regions. These two keypoints are easily integrated into the vision transformer backbone with the prompting mechanism in the transformer. Given the learned features and proxies, FPTrans directly compares their cosine similarity for segmentation. Although the framework is straightforward, we show that FPTrans achieves competitive FSS accuracy on par with state-of-the-art decoder-based methods.
Jian-Wei Zhang, Yifan Sun, Yi Yang, Wei Chen
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2,022
neurips
Embodied Scene-aware Human Pose Estimation
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We propose embodied scene-aware human pose estimation where we estimate 3D poses based on a simulated agent's proprioception and scene awareness, along with external third-person observations. Unlike prior methods that often resort to multistage optimization, non-causal inference, and complex contact modeling to estimate human pose and human scene interactions, our method is one-stage, causal, and recovers global 3D human poses in a simulated environment. Since 2D third-person observations are coupled with the camera pose, we propose to disentangle the camera pose and use a multi-step projection gradient defined in the global coordinate frame as the movement cue for our embodied agent. Leveraging a physics simulation and prescanned scenes (e.g., 3D mesh), we simulate our agent in everyday environments (library, office, bedroom, etc.) and equip our agent with environmental sensors to intelligently navigate and interact with the geometries of the scene. Our method also relies only on 2D keypoints and can be trained on synthetic datasets derived from popular human motion databases. To evaluate, we use the popular H36M and PROX datasets and achieve high quality pose estimation on the challenging PROX dataset without ever using PROX motion sequences for training. Code and videos are available on the project page.
Zhengyi Luo, Shun Iwase, Ye Yuan, Kris Kitani
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2,022
neurips
Leveraging Inter-Layer Dependency for Post -Training Quantization
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Prior works on Post-training Quantization (PTQ) typically separate a neural network into sub-nets and quantize them sequentially. This process pays little attention to the dependency across the sub-nets, hence is less optimal. In this paper, we propose a novel Network-Wise Quantization (NWQ) approach to fully leveraging inter-layer dependency. NWQ faces a larger scale combinatorial optimization problem of discrete variables than in previous works, which raises two major challenges: over-fitting and discrete optimization problem. NWQ alleviates over-fitting via a Activation Regularization (AR) technique, which better controls the activation distribution. To optimize discrete variables, NWQ introduces Annealing Softmax (ASoftmax) and Annealing Mixup (AMixup) to progressively transition quantized weights and activations from continuity to discretization, respectively. Extensive experiments demonstrate that NWQ outperforms previous state-of-the-art by a large margin: 20.24\% for the challenging configuration of MobileNetV2 with 2 bits on ImageNet, pushing extremely low-bit PTQ from feasibility to usability. In addition, NWQ is able to achieve competitive results with only 10\% computation cost of previous works.
changbao wang, DanDan Zheng, Yuanliu Liu, Liang Li
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2,022
neurips
No-regret learning in games with noisy feedback: Faster rates and adaptivity via learning rate separation
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We examine the problem of regret minimization when the learner is involved in a continuous game with other optimizing agents: in this case, if all players follow a no-regret algorithm, it is possible to achieve significantly lower regret relative to fully adversarial environments. We study this problem in the context of variationally stable games (a class of continuous games which includes all convex-concave and monotone games), and when the players only have access to noisy estimates of their individual payoff gradients. If the noise is additive, the game-theoretic and purely adversarial settings enjoy similar regret guarantees; however, if the noise is \emph{multiplicative}, we show that the learners can, in fact, achieve \emph{constant} regret. We achieve this faster rate via an optimistic gradient scheme with \emph{learning rate separation} \textendash\ that is, the method's extrapolation and update steps are tuned to different schedules, depending on the noise profile. Subsequently, to eliminate the need for delicate hyperparameter tuning, we propose a fully adaptive method that smoothly interpolates between worst- and best-case regret guarantees.
Yu-Guan Hsieh, Kimon Antonakopoulos, Volkan Cevher, Panayotis Mertikopoulos
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2,022
neurips
Non-deep Networks
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Latency is of utmost importance in safety-critical systems. In neural networks, lowest theoretical latency is dependent on the depth of the network. This begs the question -- is it possible to build high-performing ``non-deep" neural networks? We show that it is. To do so, we use parallel subnetworks instead of stacking one layer after another. This helps effectively reduce depth while maintaining high performance. By utilizing parallel substructures, we show, for the first time, that a network with a depth of just 12 can achieve top-1 accuracy over 80% on ImageNet, 96% on CIFAR10, and 81% on CIFAR100. We also show that a network with a low-depth (12) backbone can achieve an AP of 48% on MS-COCO. We analyze the scaling rules for our design and show how to increase performance without changing the network's depth. Finally, we provide a proof of concept for how non-deep networks could be used to build low-latency recognition systems. Code is available at https://github.com/imankgoyal/NonDeepNetworks.
Ankit Goyal, Alexey Bochkovskiy, Jia Deng, Vladlen Koltun
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2,022
neurips
Sampling without Replacement Leads to Faster Rates in Finite-Sum Minimax Optimization
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We analyze the convergence rates of stochastic gradient algorithms for smooth finite-sum minimax optimization and show that, for many such algorithms, sampling the data points \emph{without replacement} leads to faster convergence compared to sampling with replacement. For the smooth and strongly convex-strongly concave setting, we consider gradient descent ascent and the proximal point method, and present a unified analysis of two popular without-replacement sampling strategies, namely \emph{Random Reshuffling} (RR), which shuffles the data every epoch, and \emph{Single Shuffling} or \emph{Shuffle Once} (SO), which shuffles only at the beginning. We obtain tight convergence rates for RR and SO and demonstrate that these strategies lead to faster convergence than uniform sampling. Moving beyond convexity, we obtain similar results for smooth nonconvex-nonconcave objectives satisfying a two-sided Polyak-\L{}ojasiewicz inequality. Finally, we demonstrate that our techniques are general enough to analyze the effect of \emph{data-ordering attacks}, where an adversary manipulates the order in which data points are supplied to the optimizer. Our analysis also recovers tight rates for the \emph{incremental gradient} method, where the data points are not shuffled at all.
Aniket Das, Bernhard Schölkopf, Michael Muehlebach
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2,022
neurips
Spatial Pruned Sparse Convolution for Efficient 3D Object Detection
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3D scenes are dominated by a large number of background points, which is redundant for the detection task that mainly needs to focus on foreground objects. In this paper, we analyze major components of existing sparse 3D CNNs and find that 3D CNNs ignores the redundancy of data and further amplifies it in the down-sampling process, which brings a huge amount of extra and unnecessary computational overhead. Inspired by this, we propose a new convolution operator named spatial pruned sparse convolution (SPS-Conv), which includes two variants, spatial pruned submanifold sparse convolution (SPSS-Conv) and spatial pruned regular sparse convolution (SPRS-Conv), both of which are based on the idea of dynamically determine crucial areas for performing computations to reduce redundancy. We empirically find that magnitude of features can serve as an important cues to determine crucial areas which get rid of the heavy computations of learning-based methods. The proposed modules can easily be incorporated into existing sparse 3D CNNs without extra architectural modifications. Extensive experiments on the KITTI and nuScenes datasets demonstrate that our method can achieve more than 50% reduction in GFLOPs without compromising the performance.
Jianhui Liu, Yukang Chen, Xiaoqing Ye, Zhuotao Tian, Xiao Tan, Xiaojuan Qi
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2,022
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A consistently adaptive trust-region method
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Adaptive trust-region methods attempt to maintain strong convergence guarantees without depending on conservative estimates of problem properties such as Lipschitz constants. However, on close inspection, one can show existing adaptive trust-region methods have theoretical guarantees with severely suboptimal dependence on problem properties such as the Lipschitz constant of the Hessian. For example, TRACE developed by Curtis et al. obtains a $O(\Delta_f L^{3/2} \epsilon^{-3/2}) + \tilde{O}(1)$ iteration bound where $L$ is the Lipschitz constant of the Hessian. Compared with the optimal $O(\Delta_f L^{1/2} \epsilon^{-3/2})$ bound this is suboptimal with respect to $L$. We present the first adaptive trust-region method which circumvents this issue and requires at most $O( \Delta_f L^{1/2} \epsilon^{-3/2}) + \tilde{O}(1)$ iterations to find an $\epsilon$-approximate stationary point, matching the optimal iteration bound up to an additive logarithmic term. Our method is a simple variant of a classic trust-region method and in our experiments performs competitively with both ARC and a classical trust-region method.
Fadi Hamad, Oliver Hinder
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2,022
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Batch Bayesian Optimization on Permutations using the Acquisition Weighted Kernel
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In this work we propose a batch Bayesian optimization method for combinatorial problems on permutations, which is well suited for expensive-to-evaluate objectives. We first introduce LAW, an efficient batch acquisition method based on determinantal point processes using the acquisition weighted kernel. Relying on multiple parallel evaluations, LAW enables accelerated search on combinatorial spaces. We then apply the framework to permutation problems, which have so far received little attention in the Bayesian Optimization literature, despite their practical importance. We call this method LAW2ORDER. On the theoretical front, we prove that LAW2ORDER has vanishing simple regret by showing that the batch cumulative regret is sublinear. Empirically, we assess the method on several standard combinatorial problems involving permutations such as quadratic assignment, flowshop scheduling and the traveling salesman, as well as on a structure learning task.
Changyong Oh, Roberto Bondesan, Efstratios Gavves, Max Welling
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2,022
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Set-based Meta-Interpolation for Few-Task Meta-Learning
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Meta-learning approaches enable machine learning systems to adapt to new tasks given few examples by leveraging knowledge from related tasks. However, a large number of meta-training tasks are still required for generalization to unseen tasks during meta-testing, which introduces a critical bottleneck for real-world problems that come with only few tasks, due to various reasons including the difficulty and cost of constructing tasks. Recently, several task augmentation methods have been proposed to tackle this issue using domain-specific knowledge to design augmentation techniques to densify the meta-training task distribution. However, such reliance on domain-specific knowledge renders these methods inapplicable to other domains. While Manifold Mixup based task augmentation methods are domain-agnostic, we empirically find them ineffective on non-image domains. To tackle these limitations, we propose a novel domain-agnostic task augmentation method, Meta-Interpolation, which utilizes expressive neural set functions to densify the meta-training task distribution using bilevel optimization. We empirically validate the efficacy of Meta-Interpolation on eight datasets spanning across various domains such as image classification, molecule property prediction, text classification and speech recognition. Experimentally, we show that Meta-Interpolation consistently outperforms all the relevant baselines. Theoretically, we prove that task interpolation with the set function regularizes the meta-learner to improve generalization. We provide our source code in the supplementary material.
Seanie Lee, Bruno Andreis, Kenji Kawaguchi, Juho Lee, Sung Ju Hwang
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2,022
neurips
Low-rank Optimal Transport: Approximation, Statistics and Debiasing
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The matching principles behind optimal transport (OT) play an increasingly important role in machine learning, a trend which can be observed when OT is used to disambiguate datasets in applications (e.g. single-cell genomics) or used to improve more complex methods (e.g. balanced attention in transformers or self-supervised learning). To scale to more challenging problems, there is a growing consensus that OT requires solvers that can operate on millions, not thousands, of points. The low-rank optimal transport (LOT) approach advocated in \cite{scetbon2021lowrank} holds several promises in that regard, and was shown to complement more established entropic regularization approaches, being able to insert itself in more complex pipelines, such as quadratic OT. LOT restricts the search for low-cost couplings to those that have a low-nonnegative rank, yielding linear time algorithms in cases of interest. However, these promises can only be fulfilled if the LOT approach is seen as a legitimate contender to entropic regularization when compared on properties of interest, where the scorecard typically includes theoretical properties (statistical complexity and relation to other methods) or practical aspects (debiasing, hyperparameter tuning, initialization). We target each of these areas in this paper in order to cement the impact of low-rank approaches in computational OT.
Meyer Scetbon, Marco Cuturi
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2,022
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Feature Learning in $L_2$-regularized DNNs: Attraction/Repulsion and Sparsity
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We study the loss surface of DNNs with $L_{2}$ regularization. Weshow that the loss in terms of the parameters can be reformulatedinto a loss in terms of the layerwise activations $Z_{\ell}$ of thetraining set. This reformulation reveals the dynamics behind featurelearning: each hidden representations $Z_{\ell}$ are optimal w.r.t.to an attraction/repulsion problem and interpolate between the inputand output representations, keeping as little information from theinput as necessary to construct the activation of the next layer.For positively homogeneous non-linearities, the loss can be furtherreformulated in terms of the covariances of the hidden representations,which takes the form of a partially convex optimization over a convexcone.This second reformulation allows us to prove a sparsity result forhomogeneous DNNs: any local minimum of the $L_{2}$-regularized losscan be achieved with at most $N(N+1)$ neurons in each hidden layer(where $N$ is the size of the training set). We show that this boundis tight by giving an example of a local minimum that requires $N^{2}/4$hidden neurons. But we also observe numerically that in more traditionalsettings much less than $N^{2}$ neurons are required to reach theminima.
Arthur Jacot, Eugene Golikov, Clement Hongler, Franck Gabriel
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2,022
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Privacy Induces Robustness: Information-Computation Gaps and Sparse Mean Estimation
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We establish a simple connection between robust and differentially-private algorithms: private mechanisms which perform well with very high probability are automatically robust in the sense that they retain accuracy even if a constant fraction of the samples they receive are adversarially corrupted. Since optimal mechanisms typically achieve these high success probabilities, our results imply that optimal private mechanisms for many basic statistics problems are robust. We investigate the consequences of this observation for both algorithms and computational complexity across different statistical problems. Assuming the Brennan-Bresler secret-leakage planted clique conjecture, we demonstrate a fundamental tradeoff between computational efficiency, privacy leakage, and success probability for sparse mean estimation. Private algorithms which match this tradeoff are not yet known -- we achieve that (up to polylogarithmic factors) in a polynomially-large range of parameters via theSum-of-Squares method.To establish an information-computation gap for sparse mean estimation, we also design new (exponential-time) mechanisms using fewer samples than efficient algorithms must use. Finally, we give evidence for privacy-induced information-computation gaps for several other statistics and learning problems, including PAC learning parity functions and estimation of the mean of a multivariate Gaussian.
Kristian Georgiev, Samuel Hopkins
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2,022
neurips
Guaranteed Conservation of Momentum for Learning Particle-based Fluid Dynamics
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We present a novel method for guaranteeing linear momentum in learned physics simulations. Unlike existing methods, we enforce conservation of momentum with a hard constraint, which we realize via antisymmetrical continuous convolutional layers. We combine these strict constraints with a hierarchical network architecture, a carefully constructed resampling scheme, and a training approach for temporal coherence. In combination, the proposed method allows us to increase the physical accuracy of the learned simulator substantially. In addition, the induced physical bias leads to significantly better generalization performance and makes our method more reliable in unseen test cases. We evaluate our method on a range of different, challenging fluid scenarios. Among others, we demonstrate that our approach generalizes to new scenarios with up to one million particles. Our results show that the proposed algorithm can learn complex dynamics while outperforming existing approaches in generalization and training performance. An implementation of our approach is available at https://github.com/tum-pbs/DMCF.
Lukas Prantl, Benjamin Ummenhofer, Vladlen Koltun, Nils Thuerey
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2,022
neurips
M4Singer: A Multi-Style, Multi-Singer and Musical Score Provided Mandarin Singing Corpus
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The lack of publicly available high-quality and accurately labeled datasets has long been a major bottleneck for singing voice synthesis (SVS). To tackle this problem, we present M4Singer, a free-to-use Multi-style, Multi-singer Mandarin singing collection with elaborately annotated Musical scores as well as its benchmarks. Specifically, 1) we construct and release a large high-quality Chinese singing voice corpus, which is recorded by 20 professional singers, covering 700 Chinese pop songs as well as all the four SATB types (i.e., soprano, alto, tenor, and bass); 2) we take extensive efforts to manually compose the musical scores for each recorded song, which are necessary to the study of the prosody modeling for SVS. 3) To facilitate the use and demonstrate the quality of M4Singer, we conduct four different benchmark experiments: score-based SVS, controllable singing voice (CSV), singing voice conversion (SVC) and automatic music transcription (AMT).
Lichao Zhang, Ruiqi Li, Shoutong Wang, Liqun Deng, Jinglin Liu, Yi Ren, Jinzheng He, Rongjie Huang, Jieming Zhu, Xiao Chen, Zhou Zhao
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2,022
neurips
Supervised Training of Conditional Monge Maps
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Optimal transport (OT) theory describes general principles to define and select, among many possible choices, the most efficient way to map a probability measure onto another. That theory has been mostly used to estimate, given a pair of source and target probability measures $(\mu,\nu)$, a parameterized map $T_\theta$ that can efficiently map $\mu$ onto $\nu$. In many applications, such as predicting cell responses to treatments, pairs of input/output data measures $(\mu,\nu)$ that define optimal transport problems do not arise in isolation but are associated with a context $c$, as for instance a treatment when comparing populations of untreated and treated cells. To account for that context in OT estimation, we introduce CondOT, a multi-task approach to estimate a family of OT maps conditioned on a context variable, using several pairs of measures $(\mu_i, \nu_i)$ tagged with a context label $c_i$. CondOT learns a global map $\mathcal{T}_{\theta}$ conditioned on context that is not only expected to fit all labeled pairs in the dataset $\{(c_i, (\mu_i, \nu_i))\}$, i.e., $\mathcal{T}_{\theta}(c_i) \sharp\mu_i \approx \nu_i$, but should also generalize to produce meaningful maps $\mathcal{T}_{\theta}(c_{\text{new}})$ when conditioned on unseen contexts $c_{\text{new}}$. Our approach harnesses and provides a novel usage for partially input convex neural networks, for which we introduce a robust and efficient initialization strategy inspired by Gaussian approximations. We demonstrate the ability of CondOT to infer the effect of an arbitrary combination of genetic or therapeutic perturbations on single cells, using only observations of the effects of said perturbations separately.
Charlotte Bunne, Andreas Krause, Marco Cuturi
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2,022
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Adaptive Distribution Calibration for Few-Shot Learning with Hierarchical Optimal Transport
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Few-shot classification aims to learn a classifier to recognize unseen classes during training, where the learned model can easily become over-fitted based on the biased distribution formed by only a few training examples. A recent solution to this problem is calibrating the distribution of these few sample classes by transferring statistics from the base classes with sufficient examples, where how to decide the transfer weights from base classes to novel classes is the key. However, principled approaches for learning the transfer weights have not been carefully studied. To this end, we propose a novel distribution calibration method by learning the adaptive weight matrix between novel samples and base classes, which is built upon a hierarchical Optimal Transport (H-OT) framework. By minimizing the high-level OT distance between novel samples and base classes, we can view the learned transport plan as the adaptive weight information for transferring the statistics of base classes. The learning of the cost function between a base class and novel class in the high-level OT leads to the introduction of the low-level OT, which considers the weights of all the data samples in the base class. Experimental results on standard benchmarks demonstrate that our proposed plug-and-play model outperforms competing approaches and owns desired cross-domain generalization ability, indicating the effectiveness of the learned adaptive weights.
Dandan Guo, Long Tian, He Zhao, Mingyuan Zhou, Hongyuan Zha
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2,022
neurips
Max-Min Off-Policy Actor-Critic Method Focusing on Worst-Case Robustness to Model Misspecification
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In the field of reinforcement learning, because of the high cost and risk of policy training in the real world, policies are trained in a simulation environment and transferred to the corresponding real-world environment.However, the simulation environment does not perfectly mimic the real-world environment, lead to model misspecification. Multiple studies report significant deterioration of policy performance in a real-world environment.In this study, we focus on scenarios involving a simulation environment with uncertainty parameters and the set of their possible values, called the uncertainty parameter set. The aim is to optimize the worst-case performance on the uncertainty parameter set to guarantee the performance in the corresponding real-world environment.To obtain a policy for the optimization, we propose an off-policy actor-critic approach called the Max-Min Twin Delayed Deep Deterministic Policy Gradient algorithm (M2TD3), which solves a max-min optimization problem using a simultaneous gradient ascent descent approach.Experiments in multi-joint dynamics with contact (MuJoCo) environments show that the proposed method exhibited a worst-case performance superior to several baseline approaches.
Takumi Tanabe, Rei Sato, Kazuto Fukuchi, Jun Sakuma, Youhei Akimoto
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2,022
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Minimax Optimal Online Imitation Learning via Replay Estimation
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Online imitation learning is the problem of how best to mimic expert demonstrations, given access to the environment or an accurate simulator. Prior work has shown that in the \textit{infinite} sample regime, exact moment matching achieves value equivalence to the expert policy. However, in the \textit{finite} sample regime, even if one has no optimization error, empirical variance can lead to a performance gap that scales with $H^2 / N_{\text{exp}}$ for behavioral cloning and $H / N_{\text{exp}}$ for online moment matching, where $H$ is the horizon and $N_{\text{exp}}$ is the size of the expert dataset. We introduce the technique of ``replay estimation'' to reduce this empirical variance: by repeatedly executing cached expert actions in a stochastic simulator, we compute a smoother expert visitation distribution estimate to match. In the presence of general function approximation, we prove a meta theorem reducing the performance gap of our approach to the \textit{parameter estimation error} for offline classification (i.e. learning the expert policy). In the tabular setting or with linear function approximation, our meta theorem shows that the performance gap incurred by our approach achieves the optimal $\widetilde{O} \left( \min( H^{3/2} / N_{\text{exp}}, H / \sqrt{N_{\text{exp}}} \right)$ dependency, under significantly weaker assumptions compared to prior work. We implement multiple instantiations of our approach on several continuous control tasks and find that we are able to significantly improve policy performance across a variety of dataset sizes.
Gokul Swamy, Nived Rajaraman, Matt Peng, Sanjiban Choudhury, J. Bagnell, Steven Z. Wu, Jiantao Jiao, Kannan Ramchandran
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2,022
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FR: Folded Rationalization with a Unified Encoder
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Rationalization aims to strengthen the interpretability of NLP models by extracting a subset of human-intelligible pieces of their inputting texts. Conventional works generally employ a two-phase model in which a generator selects the most important pieces, followed by a predictor that makes predictions based on the selected pieces. However, such a two-phase model may incur the degeneration problem where the predictor overfits to the noise generated by a not yet well-trained generator and in turn, leads the generator to converge to a suboptimal model that tends to select senseless pieces. To tackle this challenge, we propose Folded Rationalization (FR) that folds the two phases of the rationale model into one from the perspective of text semantic extraction. The key idea of FR is to employ a unified encoder between the generator and predictor, based on which FR can facilitate a better predictor by access to valuable information blocked by the generator in the traditional two-phase model and thus bring a better generator. Empirically, we show that FR improves the F1 score by up to 10.3% as compared to state-of-the-art methods.
Wei Liu, Haozhao Wang, Jun Wang, Ruixuan Li, Chao Yue, YuanKai Zhang
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2,022
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Formalizing Consistency and Coherence of Representation Learning
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In the study of reasoning in neural networks, recent efforts have sought to improve consistency and coherence of sequence models, leading to important developments in the area of neuro-symbolic AI. In symbolic AI, the concepts of consistency and coherence can be defined and verified formally, but for neural networks these definitions are lacking. The provision of such formal definitions is crucial to offer a common basis for the quantitative evaluation and systematic comparison of connectionist, neuro-symbolic and transfer learning approaches. In this paper, we introduce formal definitions of consistency and coherence for neural systems. To illustrate the usefulness of our definitions, we propose a new dynamic relation-decoder model built around the principles of consistency and coherence. We compare our results with several existing relation-decoders using a partial transfer learning task based on a novel data set introduced in this paper. Our experiments show that relation-decoders that maintain consistency over unobserved regions of representation space retaincoherence across domains, whilst achieving better transfer learning performance.
Harald Strömfelt, Luke Dickens, Artur Garcez, Alessandra Russo
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2,022
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Single Loop Gaussian Homotopy Method for Non-convex Optimization
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The Gaussian homotopy (GH) method is a popular approach to finding better stationary points for non-convex optimization problems by gradually reducing a parameter value $t$, which changes the problem to be solved from an almost convex one to the original target one. Existing GH-based methods repeatedly call an iterative optimization solver to find a stationary point every time $t$ is updated, which incurs high computational costs. We propose a novel single loop framework for GH methods (SLGH) that updates the parameter $t$ and the optimization decision variables at the same. Computational complexity analysis is performed on the SLGH algorithm under various situations: either a gradient or gradient-free oracle of a GH function can be obtained for both deterministic and stochastic settings. The convergence rate of SLGH with a tuned hyperparameter becomes consistent with the convergence rate of gradient descent, even though the problem to be solved is gradually changed due to $t$. In numerical experiments, our SLGH algorithms show faster convergence than an existing double loop GH method while outperforming gradient descent-based methods in terms of finding a better solution.
Hidenori Iwakiri, Yuhang Wang, Shinji Ito, Akiko Takeda
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2,022
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InsNet: An Efficient, Flexible, and Performant Insertion-based Text Generation Model
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We propose InsNet, an expressive insertion-based text generator with efficient training and flexible decoding (parallel or sequential). Unlike most existing insertion-based text generation works that require re-encoding of the (decoding) context after each insertion operation and thus are inefficient to train, InsNet only requires one pass of context encoding for the entire insertion sequence during training by using a novel insertion-oriented position encoding to enable computation sharing. Furthermore, InsNet provides a controllable switch between parallel and sequential decoding, making it flexible to handle more parallelizable tasks such as machine translation to support efficient decoding, or less parallelizable tasks such as lexically constrained text generation to guarantee high-quality outputs. Experiments on two unsupervised lexically constrained text generation datasets and three machine translation datasets demonstrate InsNet’s advantages over previous insertion-based methods in terms of training speed, inference efficiency, and generation quality.
Sidi Lu, Tao Meng, Nanyun Peng
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2,022
neurips
Bayesian Spline Learning for Equation Discovery of Nonlinear Dynamics with Quantified Uncertainty
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Nonlinear dynamics are ubiquitous in science and engineering applications, but the physics of most complex systems is far from being fully understood. Discovering interpretable governing equations from measurement data can help us understand and predict the behavior of complex dynamic systems. Although extensive work has recently been done in this field, robustly distilling explicit model forms from very sparse data with considerable noise remains intractable. Moreover, quantifying and propagating the uncertainty of the identified system from noisy data is challenging, and relevant literature is still limited. To bridge this gap, we develop a novel Bayesian spline learning framework to identify parsimonious governing equations of nonlinear (spatio)temporal dynamics from sparse, noisy data with quantified uncertainty. The proposed method utilizes spline basis to handle the data scarcity and measurement noise, upon which a group of derivatives can be accurately computed to form a library of candidate model terms. The equation residuals are used to inform the spline learning in a Bayesian manner, where approximate Bayesian uncertainty calibration techniques are employed to approximate posterior distributions of the trainable parameters. To promote the sparsity, an iterative sequential-threshold Bayesian learning approach is developed, using the alternative direction optimization strategy to systematically approximate L0 sparsity constraints. The proposed algorithm is evaluated on multiple nonlinear dynamical systems governed by canonical ordinary and partial differential equations, and the merit/superiority of the proposed method is demonstrated by comparison with state-of-the-art methods.
Luning Sun, Daniel Huang, Hao Sun, Jian-Xun Wang
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2,022
neurips
Convexity Certificates from Hessians
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The Hessian of a differentiable convex function is positive semidefinite. Therefore, checking the Hessian of a given function is a natural approach to certify convexity. However, implementing this approach is not straightforward, since it requires a representation of the Hessian that allows its analysis. Here, we implement this approach for a class of functions that is rich enough to support classical machine learning. For this class of functions, it was recently shown how to compute computational graphs of their Hessians. We show how to check these graphs for positive-semidefiniteness. We compare our implementation of the Hessian approach with the well-established disciplined convex programming (DCP) approach and prove that the Hessian approach is at least as powerful as the DCP approach for differentiable functions. Furthermore, we show for a state-of-the-art implementation of the DCP approach that the Hessian approach is actually more powerful, that is, it can certify the convexity of a larger class of differentiable functions.
Julien Klaus, Niklas Merk, Konstantin Wiedom, Sören Laue, Joachim Giesen
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2,022
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One-Inlier is First: Towards Efficient Position Encoding for Point Cloud Registration
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Transformer architecture has shown great potential for many visual tasks, including point cloud registration. As an order-aware module, position encoding plays an important role in Transformer architecture applied to point cloud registration task. In this paper, we propose OIF-PCR, a one-inlier based position encoding method for point cloud registration network. Specifically, we first find one correspondence by a differentiable optimal transport layer, and use it to normalize each point for position encoding. It can eliminate the challenges brought by the different reference frames of two point clouds, and mitigate the feature ambiguity by learning the spatial consistency. Then, we propose a joint approach for establishing correspondence and position encoding, presenting an iterative optimization process. Finally, we design a progressive way for point cloud alignment and feature learning to gradually optimize the rigid transformation. The proposed position encoding is very efficient, requiring only a small addition of memory and computing overhead. Extensive experiments demonstrate the proposed method can achieve competitive performance with the state-of-the-art methods in both indoor and outdoor scenes.
Fan Yang, Lin Guo, Zhi Chen, Wenbing Tao
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2,022
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When Does Group Invariant Learning Survive Spurious Correlations?
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By inferring latent groups in the training data, recent works introduce invariant learning to the case where environment annotations are unavailable. Typically, learning group invariance under a majority/minority split is empirically shown to be effective in improving out-of-distribution generalization on many datasets. However, theoretical guarantee for these methods on learning invariant mechanisms is lacking. In this paper, we reveal the insufficiency of existing group invariant learning methods in preventing classifiers from depending on spurious correlations in the training set. Specifically, we propose two criteria on judging such sufficiency. Theoretically and empirically, we show that existing methods can violate both criteria and thus fail in generalizing to spurious correlation shifts. Motivated by this, we design a new group invariant learning method, which constructs groups with statistical independence tests, and reweights samples by group label proportion to meet the criteria. Experiments on both synthetic and real data demonstrate that the new method significantly outperforms existing group invariant learning methods in generalizing to spurious correlation shifts.
Yimeng Chen, Ruibin Xiong, Zhi-Ming Ma, Yanyan Lan
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2,022
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Multi-layer State Evolution Under Random Convolutional Design
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Signal recovery under generative neural network priors has emerged as a promising direction in statistical inference and computational imaging. Theoretical analysis of reconstruction algorithms under generative priors is, however, challenging. For generative priors with fully connected layers and Gaussian i.i.d. weights, this was achieved by the multi-layer approximate message (ML-AMP) algorithm via a rigorous state evolution. However, practical generative priors are typically convolutional, allowing for computational benefits and inductive biases, and so the Gaussian i.i.d. weight assumption is very limiting. In this paper, we overcome this limitation and establish the state evolution of ML-AMP for random convolutional layers. We prove in particular that random convolutional layers belong to the same universality class as Gaussian matrices. Our proof technique is of an independent interest as it establishes a mapping between convolutional matrices and spatially coupled sensing matrices used in coding theory.
Max Daniels, Cedric Gerbelot, Florent Krzakala, Lenka Zdeborová
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2,022
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On the Efficient Implementation of High Accuracy Optimality of Profile Maximum Likelihood
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We provide an efficient unified plug-in approach for estimating symmetric properties of distributions given $n$ independent samples. Our estimator is based on profile-maximum-likelihood (PML) and is sample optimal for estimating various symmetric properties when the estimation error $\epsilon \gg n^{-1/3}$. This result improves upon the previous best accuracy threshold of $\epsilon \gg n^{-1/4}$ achievable by polynomial time computable PML-based universal estimators \cite{ACSS20, ACSS20b}. Our estimator reaches a theoretical limit for universal symmetric property estimation as \cite{Han20} shows that a broad class of universal estimators (containing many well known approaches including ours) cannot be sample optimal for every $1$-Lipschitz property when $\epsilon \ll n^{-1/3}$.
Moses Charikar, Zhihao Jiang, Kirankumar Shiragur, Aaron Sidford
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2,022
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SNAKE: Shape-aware Neural 3D Keypoint Field
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Detecting 3D keypoints from point clouds is important for shape reconstruction, while this work investigates the dual question: can shape reconstruction benefit 3D keypoint detection? Existing methods either seek salient features according to statistics of different orders or learn to predict keypoints that are invariant to transformation. Nevertheless, the idea of incorporating shape reconstruction into 3D keypoint detection is under-explored. We argue that this is restricted by former problem formulations. To this end, a novel unsupervised paradigm named SNAKE is proposed, which is short for shape-aware neural 3D keypoint field. Similar to recent coordinate-based radiance or distance field, our network takes 3D coordinates as inputs and predicts implicit shape indicators and keypoint saliency simultaneously, thus naturally entangling 3D keypoint detection and shape reconstruction. We achieve superior performance on various public benchmarks, including standalone object datasets ModelNet40, KeypointNet, SMPL meshes and scene-level datasets 3DMatch and Redwood. Intrinsic shape awareness brings several advantages as follows. (1) SNAKE generates 3D keypoints consistent with human semantic annotation, even without such supervision. (2) SNAKE outperforms counterparts in terms of repeatability, especially when the input point clouds are down-sampled. (3) the generated keypoints allow accurate geometric registration, notably in a zero-shot setting. Codes and models are available at https://github.com/zhongcl-thu/SNAKE.
Chengliang Zhong, Peixing You, Xiaoxue Chen, Hao Zhao, Fuchun Sun, Guyue Zhou, Xiaodong Mu, Chuang Gan, Wenbing Huang
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2,022
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GULP: a prediction-based metric between representations
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Comparing the representations learned by different neural networks has recently emerged as a key tool to understand various architectures and ultimately optimize them. In this work, we introduce GULP, a family of distance measures between representations that is explicitly motivated by downstream predictive tasks. By construction, GULP provides uniform control over the difference in prediction performance between two representations, with respect to regularized linear prediction tasks. Moreover, it satisfies several desirable structural properties, such as the triangle inequality and invariance under orthogonal transformations, and thus lends itself to data embedding and visualization. We extensively evaluate GULP relative to other methods, and demonstrate that it correctly differentiates between architecture families, converges over the course of training, and captures generalization performance on downstream linear tasks.
Enric Boix-Adsera, Hannah Lawrence, George Stepaniants, Philippe Rigollet
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2,022
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Assaying Out-Of-Distribution Generalization in Transfer Learning
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Since out-of-distribution generalization is a generally ill-posed problem, various proxy targets (e.g., calibration, adversarial robustness, algorithmic corruptions, invariance across shifts) were studied across different research programs resulting in different recommendations. While sharing the same aspirational goal, these approaches have never been tested under the same experimental conditions on real data. In this paper, we take a unified view of previous work, highlighting message discrepancies that we address empirically, and providing recommendations on how to measure the robustness of a model and how to improve it. To this end, we collect 172 publicly available dataset pairs for training and out-of-distribution evaluation of accuracy, calibration error, adversarial attacks, environment invariance, and synthetic corruptions. We fine-tune over 31k networks, from nine different architectures in the many- and few-shot setting. Our findings confirm that in- and out-of-distribution accuracies tend to increase jointly, but show that their relation is largely dataset-dependent, and in general more nuanced and more complex than posited by previous, smaller scale studies.
Florian Wenzel, Andrea Dittadi, Peter Gehler, Carl-Johann Simon-Gabriel, Max Horn, Dominik Zietlow, David Kernert, Chris Russell, Thomas Brox, Bernt Schiele, Bernhard Schölkopf, Francesco Locatello
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Improved Bounds on Neural Complexity for Representing Piecewise Linear Functions
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A deep neural network using rectified linear units represents a continuous piecewise linear (CPWL) function and vice versa. Recent results in the literature estimated that the number of neurons needed to exactly represent any CPWL function grows exponentially with the number of pieces or exponentially in terms of the factorial of the number of distinct linear components. Moreover, such growth is amplified linearly with the input dimension. These existing results seem to indicate that the cost of representing a CPWL function is expensive. In this paper, we propose much tighter bounds and establish a polynomial time algorithm to find a network satisfying these bounds for any given CPWL function. We prove that the number of hidden neurons required to exactly represent any CPWL function is at most a quadratic function of the number of pieces. In contrast to all previous results, this upper bound is invariant to the input dimension. Besides the number of pieces, we also study the number of distinct linear components in CPWL functions. When such a number is also given, we prove that the quadratic complexity turns into bilinear, which implies a lower neural complexity because the number of distinct linear components is always not greater than the minimum number of pieces in a CPWL function. When the number of pieces is unknown, we prove that, in terms of the number of distinct linear components, the neural complexities of any CPWL function are at most polynomial growth for low-dimensional inputs and factorial growth for the worst-case scenario, which are significantly better than existing results in the literature.
Kuan-Lin Chen, Harinath Garudadri, Bhaskar D Rao
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2,022
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On the convergence of policy gradient methods to Nash equilibria in general stochastic games
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Learning in stochastic games is a notoriously difficult problem because, in addition to each other's strategic decisions, the players must also contend with the fact that the game itself evolves over time, possibly in a very complicated manner. Because of this, the convergence properties of popular learning algorithms — like policy gradient and its variants — are poorly understood, except in specific classes of games (such as potential or two-player, zero-sum games). In view of this, we examine the long-run behavior of policy gradient methods with respect to Nash equilibrium policies that are second-order stationary (SOS) in a sense similar to the type of sufficiency conditions used in optimization. Our first result is that SOS policies are locally attracting with high probability, and we show that policy gradient trajectories with gradient estimates provided by the REINFORCE algorithm achieve an $\mathcal{O}(1/\sqrt{n})$ distance-squared convergence rate if the method's step-size is chosen appropriately. Subsequently, specializing to the class of deterministic Nash policies, we show that this rate can be improved dramatically and, in fact, policy gradient methods converge within a finite number of iterations in that case.
Angeliki Giannou, Kyriakos Lotidis, Panayotis Mertikopoulos, Emmanouil-Vasileios Vlatakis-Gkaragkounis
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2,022
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Mixture-of-Experts with Expert Choice Routing
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Sparsely-activated Mixture-of-experts (MoE) models allow the number of parameters to greatly increase while keeping the amount of computation for a given token or a given sample unchanged. However, a poor expert routing strategy (e.g. one resulting in load imbalance) can cause certain experts to be under-trained, leading to an expert being under or over-specialized. Prior work allocates a fixed number of experts to each token using a top-k function regardless of the relative importance of different tokens. To address this, we propose a heterogeneous mixture-of-experts employing an expert choice method. Instead of letting tokens select the top-k experts, we have experts selecting the top-k tokens. As a result, each token can be routed to a variable number of experts and each expert can have a fixed bucket size. We systematically study pre-training speedups using the same computational resources of the Switch Transformer top-1 and GShard top-2 gating of prior work and find that our method improves training convergence time by more than 2×. For the same computational cost, our method demonstrates higher performance in fine-tuning 11 selected tasks in the GLUE and SuperGLUE benchmarks. For a smaller activation cost, our method outperforms the T5 dense model in 7 out of the 11 tasks.
Yanqi Zhou, Tao Lei, Hanxiao Liu, Nan Du, Yanping Huang, Vincent Zhao, Andrew M. Dai, zhifeng Chen, Quoc V Le, James Laudon
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2,022
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ALMA: Hierarchical Learning for Composite Multi-Agent Tasks
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Despite significant progress on multi-agent reinforcement learning (MARL) in recent years, coordination in complex domains remains a challenge. Work in MARL often focuses on solving tasks where agents interact with all other agents and entities in the environment; however, we observe that real-world tasks are often composed of several isolated instances of local agent interactions (subtasks), and each agent can meaningfully focus on one subtask to the exclusion of all else in the environment. In these composite tasks, successful policies can often be decomposed into two levels of decision-making: agents are allocated to specific subtasks and each agent acts productively towards their assigned subtask alone. This decomposed decision making provides a strong structural inductive bias, significantly reduces agent observation spaces, and encourages subtask-specific policies to be reused and composed during training, as opposed to treating each new composition of subtasks as unique. We introduce ALMA, a general learning method for taking advantage of these structured tasks. ALMA simultaneously learns a high-level subtask allocation policy and low-level agent policies. We demonstrate that ALMA learns sophisticated coordination behavior in a number of challenging environments, outperforming strong baselines. ALMA's modularity also enables it to better generalize to new environment configurations. Finally, we find that while ALMA can integrate separately trained allocation and action policies, the best performance is obtained only by training all components jointly. Our code is available at https://github.com/shariqiqbal2810/ALMA
Shariq Iqbal, Robby Costales, Fei Sha
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2,022
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Physics-Informed Implicit Representations of Equilibrium Network Flows
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Flow networks are ubiquitous in natural and engineered systems, and in order to understand and manage these networks, one must quantify the flow of commodities across their edges. This paper considers the estimation problem of predicting unlabeled edge flows from nodal supply and demand. We propose an implicit neural network layer that incorporates two fundamental physical laws: conservation of mass, and the existence of a constitutive relationship between edge flows and nodal states (e.g., Ohm's law). Computing the edge flows from these two laws is a nonlinear inverse problem, which our layer solves efficiently with a specialized contraction mapping. Using implicit differentiation to compute the solution's gradients, our model is able to learn the constitutive relationship within a semi-supervised framework. We demonstrate that our approach can accurately predict edge flows in several experiments on AC power networks and water distribution systems.
Kevin D. Smith, Francesco Seccamonte, Ananthram Swami, Francesco Bullo
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M2N: Mesh Movement Networks for PDE Solvers
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Numerical Partial Differential Equation (PDE) solvers often require discretizing the physical domain by using a mesh. Mesh movement methods provide the capability to improve the accuracy of the numerical solution without introducing extra computational burden to the PDE solver, by increasing mesh resolution where the solution is not well-resolved, whilst reducing unnecessary resolution elsewhere. However, sophisticated mesh movement methods, such as the Monge-Ampère method, generally require the solution of auxiliary equations. These solutions can be extremely expensive to compute when the mesh needs to be adapted frequently. In this paper, we propose to the best of our knowledge the first learning-based end-to-end mesh movement framework for PDE solvers. Key requirements of learning-based mesh movement methods are: alleviating mesh tangling, boundary consistency, and generalization to mesh with different resolutions. To achieve these goals, we introduce the neural spline model and the graph attention network (GAT) into our models respectively. While the Neural-Spline based model provides more flexibility for large mesh deformation, the GAT based model can handle domains with more complicated shapes and is better at performing delicate local deformation. We validate our methods on stationary and time-dependent, linear and non-linear equations, as well as regularly and irregularly shaped domains. Compared to the traditional Monge-Ampère method, our approach can greatly accelerate the mesh adaptation process by three to four orders of magnitude, whilst achieving comparable numerical error reduction.
Wenbin Song, Mingrui Zhang, Joseph G Wallwork, Junpeng Gao, Zheng Tian, Fanglei Sun, Matthew Piggott, Junqing Chen, Zuoqiang Shi, Xiang Chen, Jun Wang
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2,022
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Hamiltonian Latent Operators for content and motion disentanglement in image sequences
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We introduce \textit{HALO} -- a deep generative model utilising HAmiltonian Latent Operators to reliably disentangle content and motion information in image sequences. The \textit{content} represents summary statistics of a sequence, and \textit{motion} is a dynamic process that determines how information is expressed in any part of the sequence. By modelling the dynamics as a Hamiltonian motion, important desiderata are ensured: (1) the motion is reversible, (2) the symplectic, volume-preserving structure in phase space means paths are continuous and are not divergent in the latent space. Consequently, the nearness of sequence frames is realised by the nearness of their coordinates in the phase space, which proves valuable for disentanglement and long-term sequence generation. The sequence space is generally comprised of different types of dynamical motions. To ensure long-term separability and allow controlled generation, we associate every motion with a unique Hamiltonian that acts in its respective subspace. We demonstrate the utility of \textit{HALO} by swapping the motion of a pair of sequences, controlled generation, and image rotations.
Asif Khan, Amos J. Storkey
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Learning Interface Conditions in Domain Decomposition Solvers
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Domain decomposition methods are widely used and effective in the approximation of solutions to partial differential equations. Yet the \textit{optimal} construction of these methods requires tedious analysis and is often available only in simplified, structured-grid settings, limiting their use for more complex problems. In this work, we generalize optimized Schwarz domain decomposition methods to unstructured-grid problems, using Graph Convolutional Neural Networks (GCNNs) and unsupervised learning to learn optimal modifications at subdomain interfaces. A key ingredient in our approach is an improved loss function, enabling effective training on relatively small problems, but robust performance on arbitrarily large problems, with computational cost linear in problem size. The performance of the learned linear solvers is compared with both classical and optimized domain decomposition algorithms, for both structured- and unstructured-grid problems.
Ali Taghibakhshi, Nicolas Nytko, Tareq Uz Zaman, Scott MacLachlan, Luke Olson, Matthew West
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2,022
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Weighted Distillation with Unlabeled Examples
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Distillation with unlabeled examples is a popular and powerful method for training deep neural networks in settings where the amount of labeled data is limited: A large “teacher” neural network is trained on the labeled data available, and then it is used to generate labels on an unlabeled dataset (typically much larger in size). These labels are then utilized to train the smaller “student” model which will actually be deployed. Naturally, the success of the approach depends on the quality of the teacher’s labels, since the student could be confused if trained on inaccurate data. This paper proposes a principled approach for addressing this issue based on a “debiasing" reweighting of the student’s loss function tailored to the distillation training paradigm. Our method is hyper-parameter free, data-agnostic, and simple to implement. We demonstrate significant improvements on popular academic datasets and we accompany our results with a theoretical analysis which rigorously justifies the performance of our method in certain settings.
Fotis Iliopoulos, Vasilis Kontonis, Cenk Baykal, Gaurav Menghani, Khoa Trinh, Erik Vee
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2,022
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TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction
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Illuminating interactions between proteins and small drug molecules is a long-standing challenge in the field of drug discovery. Despite the importance of understanding these interactions, most previous works are limited by hand-designed scoring functions and insufficient conformation sampling. The recently-proposed graph neural network-based methods provides alternatives to predict protein-ligand complex conformation in a one-shot manner. However, these methods neglect the geometric constraints of the complex structure and weaken the role of local functional regions. As a result, they might produce unreasonable conformations for challenging targets and generalize poorly to novel proteins. In this paper, we propose Trigonometry-Aware Neural networKs for binding structure prediction, TANKBind, that builds trigonometry constraint as a vigorous inductive bias into the model and explicitly attends to all possible binding sites for each protein by segmenting the whole protein into functional blocks. We construct novel contrastive losses with local region negative sampling to jointly optimize the binding interaction and affinity. Extensive experiments show substantial performance gains in comparison to state-of-the-art physics-based and deep learning-based methods on commonly-used benchmark datasets for both binding structure and affinity predictions with variant settings.
Wei Lu, Qifeng Wu, Jixian Zhang, Jiahua Rao, Chengtao Li, Shuangjia Zheng
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A Kernelised Stein Statistic for Assessing Implicit Generative Models
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Synthetic data generation has become a key ingredient for training machine learning procedures, addressing tasks such as data augmentation, analysing privacy-sensitive data, or visualising representative samples. Assessing the quality of such synthetic data generators hence has to be addressed. As (deep) generative models for synthetic data often do not admit explicit probability distributions, classical statistical procedures for assessing model goodness-of-fit may not be applicable. In this paper, we propose a principled procedure to assess the quality of a synthetic data generator. The procedure is a Kernelised Stein Discrepancy-type test which is based on a non-parametric Stein operator for the synthetic data generator of interest. This operator is estimated from samples which are obtained from the synthetic data generator and hence can be applied even when the model is only implicit. In contrast to classical testing, the sample size from the synthetic data generator can be as large as desired, while the size of the observed data that the generator aims to emulate is fixed. Experimental results on synthetic distributions and trained generative models on synthetic and real datasets illustrate that the method shows improved power performance compared to existing approaches.
Wenkai Xu, Gesine D Reinert
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Convolutional Neural Networks on Graphs with Chebyshev Approximation, Revisited
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Designing spectral convolutional networks is a challenging problem in graph learning. ChebNet, one of the early attempts, approximates the spectral graph convolutions using Chebyshev polynomials. GCN simplifies ChebNet by utilizing only the first two Chebyshev polynomials while still outperforming it on real-world datasets. GPR-GNN and BernNet demonstrate that the Monomial and Bernstein bases also outperform the Chebyshev basis in terms of learning the spectral graph convolutions. Such conclusions are counter-intuitive in the field of approximation theory, where it is established that the Chebyshev polynomial achieves the optimum convergent rate for approximating a function. In this paper, we revisit the problem of approximating the spectral graph convolutions with Chebyshev polynomials. We show that ChebNet's inferior performance is primarily due to illegal coefficients learnt by ChebNet approximating analytic filter functions, which leads to over-fitting. We then propose ChebNetII, a new GNN model based on Chebyshev interpolation, which enhances the original Chebyshev polynomial approximation while reducing the Runge phenomenon. We conducted an extensive experimental study to demonstrate that ChebNetII can learn arbitrary graph convolutions and achieve superior performance in both full- and semi-supervised node classification tasks. Most notably, we scale ChebNetII to a billion graph ogbn-papers100M, showing that spectral-based GNNs have superior performance. Our code is available at https://github.com/ivam-he/ChebNetII.
Mingguo He, Zhewei Wei, Ji-Rong Wen
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2,022
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FOF: Learning Fourier Occupancy Field for Monocular Real-time Human Reconstruction
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The advent of deep learning has led to significant progress in monocular human reconstruction. However, existing representations, such as parametric models, voxel grids, meshes and implicit neural representations, have difficulties achieving high-quality results and real-time speed at the same time. In this paper, we propose Fourier Occupancy Field (FOF), a novel, powerful, efficient and flexible 3D geometry representation, for monocular real-time and accurate human reconstruction. A FOF represents a 3D object with a 2D field orthogonal to the view direction where at each 2D position the occupancy field of the object along the view direction is compactly represented with the first few terms of Fourier series, which retains the topology and neighborhood relation in the 2D domain. A FOF can be stored as a multi-channel image, which is compatible with 2D convolutional neural networks and can bridge the gap between 3D geometries and 2D images. A FOF is very flexible and extensible, \eg, parametric models can be easily integrated into a FOF as a prior to generate more robust results. Meshes and our FOF can be easily inter-converted. Based on FOF, we design the first 30+FPS high-fidelity real-time monocular human reconstruction framework. We demonstrate the potential of FOF on both public datasets and real captured data. The code is available for research purposes at http://cic.tju.edu.cn/faculty/likun/projects/FOF.
Qiao Feng, Yebin Liu, Yu-Kun Lai, Jingyu Yang, Kun Li
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2,022
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Recurrent Convolutional Neural Networks Learn Succinct Learning Algorithms
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Neural networks (NNs) struggle to efficiently solve certain problems, such as learning parities, even when there are simple learning algorithms for those problems. Can NNs discover learning algorithms on their own? We exhibit a NN architecture that, in polynomial time, learns as well as any efficient learning algorithm describable by a constant-sized program. For example, on parity problems, the NN learns as well as Gaussian elimination, an efficient algorithm that can be succinctly described. Our architecture combines both recurrent weight sharing between layers and convolutional weight sharing to reduce the number of parameters down to a constant, even though the network itself may have trillions of nodes. While in practice the constants in our analysis are too large to be directly meaningful, our work suggests that the synergy of Recurrent and Convolutional NNs (RCNNs) may be more natural and powerful than either alone, particularly for concisely parameterizing discrete algorithms.
Surbhi Goel, Sham Kakade, Adam Kalai, Cyril Zhang
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2,022
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Navigating Memory Construction by Global Pseudo-Task Simulation for Continual Learning
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Continual learning faces a crucial challenge of catastrophic forgetting. To address this challenge, experience replay (ER) that maintains a tiny subset of samples from previous tasks has been commonly used. Existing ER works usually focus on refining the learning objective for each task with a static memory construction policy. In this paper, we formulate the dynamic memory construction in ER as a combinatorial optimization problem, which aims at directly minimizing the global loss across all experienced tasks. We first apply three tactics to solve the problem in the offline setting as a starting point. To provide an approximate solution to this problem under the online continual learning setting, we further propose the Global Pseudo-task Simulation (GPS), which mimics future catastrophic forgetting of the current task by permutation. Our empirical results and analyses suggest that the GPS consistently improves accuracy across four commonly used vision benchmarks. We have also shown that our GPS can serve as the unified framework for integrating various memory construction policies in existing ER works.
Yejia Liu, Wang Zhu, Shaolei Ren
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2,022
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Contact-aware Human Motion Forecasting
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In this paper, we tackle the task of scene-aware 3D human motion forecasting, which consists of predicting future human poses given a 3D scene and a past human motion. A key challenge of this task is to ensure consistency between the human and the scene, accounting for human-scene interactions. Previous attempts to do so model such interactions only implicitly, and thus tend to produce artifacts such as ``ghost motion" because of the lack of explicit constraints between the local poses and the global motion. Here, by contrast, we propose to explicitly model the human-scene contacts. To this end, we introduce distance-based contact maps that capture the contact relationships between every joint and every 3D scene point at each time instant. We then develop a two-stage pipeline that first predicts the future contact maps from the past ones and the scene point cloud, and then forecasts the future human poses by conditioning them on the predicted contact maps. During training, we explicitly encourage consistency between the global motion and the local poses via a prior defined using the contact maps and future poses. Our approach outperforms the state-of-the-art human motion forecasting and human synthesis methods on both synthetic and real datasets. Our code is available at https://github.com/wei-mao-2019/ContAwareMotionPred.
Wei Mao, miaomiao Liu, Richard I Hartley, Mathieu Salzmann
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Fine-Grained Semantically Aligned Vision-Language Pre-Training
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Large-scale vision-language pre-training has shown impressive advances in a wide range of downstream tasks. Existing methods mainly model the cross-modal alignment by the similarity of the global representations of images and text, or advanced cross-modal attention upon image and text features. However, they fail to explicitly learn the fine-grained semantic alignment between visual regions and textual phrases, as only global image-text alignment information is available. In this paper, we introduce LOUPE, a fine-grained semantically aLigned visiOn-langUage PrE-training framework, which learns fine-grained semantic alignment from the novel perspective of game-theoretic interactions. To efficiently estimate the game-theoretic interactions, we further propose an uncertainty-aware neural Shapley interaction learning module. Experiments show that LOUPE achieves state-of-the-art performance on a variety of vision-language tasks. Without any object-level human annotations and fine-tuning, LOUPE achieves competitive performance on object detection and visual grounding. More importantly, LOUPE opens a new promising direction of learning fine-grained semantics from large-scale raw image-text pairs.
Juncheng Li, XIN HE, Longhui Wei, Long Qian, Linchao Zhu, Lingxi Xie, Yueting Zhuang, Qi Tian, Siliang Tang
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2,022
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Out-of-Distribution Detection with An Adaptive Likelihood Ratio on Informative Hierarchical VAE
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Unsupervised out-of-distribution (OOD) detection is essential for the reliability of machine learning. In the literature, existing work has shown that higher-level semantics captured by hierarchical VAEs can be used to detect OOD instances.However, we empirically show that, the inherent issue of hierarchical VAEs, i.e., `posterior collapse'', would seriously limit their capacity for OOD detection.Based on a thorough analysis forposterior collapse'', we propose a novel informative hierarchical VAE to alleviate this issue through enhancing the connections between the data sample and its multi-layer stochastic latent representations during training.Furthermore, we propose a novel score function for unsupervised OOD detection, referred to as Adaptive Likelihood Ratio. With this score function, one can selectively aggregate the semantic information on multiple hidden layers of hierarchical VAEs, leading to a strong separability between in-distribution and OOD samples. Experimental results demonstrate that our method can significantly outperform existing state-of-the-art unsupervised OOD detection approaches.
Yewen Li, Chaojie Wang, Xiaobo Xia, Tongliang Liu, xin miao, Bo An
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2,022
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Spectral Bias in Practice: The Role of Function Frequency in Generalization
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Despite their ability to represent highly expressive functions, deep learning models seem to find simple solutions that generalize surprisingly well. Spectral bias -- the tendency of neural networks to prioritize learning low frequency functions -- is one possible explanation for this phenomenon, but so far spectral bias has primarily been observed in theoretical models and simplified experiments. In this work, we propose methodologies for measuring spectral bias in modern image classification networks on CIFAR-10 and ImageNet. We find that these networks indeed exhibit spectral bias, and that interventions that improve test accuracy on CIFAR-10 tend to produce learned functions that have higher frequencies overall but lower frequencies in the vicinity of examples from each class. This trend holds across variation in training time, model architecture, number of training examples, data augmentation, and self-distillation. We also explore the connections between function frequency and image frequency and find that spectral bias is sensitive to the low frequencies prevalent in natural images. On ImageNet, we find that learned function frequency also varies with internal class diversity, with higher frequencies on more diverse classes. Our work enables measuring and ultimately influencing the spectral behavior of neural networks used for image classification, and is a step towards understanding why deep models generalize well.
Sara Fridovich-Keil, Raphael Gontijo Lopes, Rebecca Roelofs
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2,022
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RTFormer: Efficient Design for Real-Time Semantic Segmentation with Transformer
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Recently, transformer-based networks have shown impressive results in semantic segmentation. Yet for real-time semantic segmentation, pure CNN-based approaches still dominate in this field, due to the time-consuming computation mechanism of transformer. We propose RTFormer, an efficient dual-resolution transformer for real-time semantic segmenation, which achieves better trade-off between performance and efficiency than CNN-based models. To achieve high inference efficiency on GPU-like devices, our RTFormer leverages GPU-Friendly Attention with linear complexity and discards the multi-head mechanism. Besides, we find that cross-resolution attention is more efficient to gather global context information for high-resolution branch by spreading the high level knowledge learned from low-resolution branch. Extensive experiments on mainstream benchmarks demonstrate the effectiveness of our proposed RTFormer, it achieves state-of-the-art on Cityscapes, CamVid and COCOStuff, and shows promising results on ADE20K.
Jian Wang, Chenhui Gou, Qiman Wu, Haocheng Feng, Junyu Han, Errui Ding, Jingdong Wang
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2,022
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Fast Distance Oracles for Any Symmetric Norm
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In the \emph{Distance Oracle} problem, the goal is to preprocess $n$ vectors $x_1, x_2, \cdots, x_n$ in a $d$-dimensional normed space $(\mathbb{X}^d, \| \cdot \|_l)$ into a cheap data structure, so that given a query vector $q \in \mathbb{X}^d$, all distances $\| q - x_i \|_l$ to the data points $\{x_i\}_{i\in [n]}$ can be quickly approximated (faster than the trivial $\sim nd$ query time). This primitive is a basic subroutine in machine learning, data mining and similarity search applications. In the case of $\ell_p$ norms, the problem is well understood, and optimal data structures are known for most values of $p$. Our main contribution is a fast $(1\pm \varepsilon)$ distance oracle for \emph{any symmetric} norm $\|\cdot\|_l$. This class includes $\ell_p$ norms and Orlicz norms as special cases, as well as other norms used in practice, e.g. top-$k$ norms, max-mixture and sum-mixture of $\ell_p$ norms, small-support norms and the box-norm. We propose a novel data structure with $\tilde{O}(n (d + \mathrm{mmc}(l)^2 ) )$ preprocessing time and space, and $t_q = \tilde{O}(d + n \cdot \mathrm{mmc}(l)^2)$ query time, where $\mathrm{mmc}(l)$ is a complexity-measure (modulus) of the symmetric norm under consideration. When $l = \ell_{p}$ , this runtime matches the aforementioned state-of-art oracles.
Yichuan Deng, Zhao Song, OMRI WEINSTEIN, Ruizhe Zhang
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2,022
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Trading Off Resource Budgets For Improved Regret Bounds
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In this work we consider a variant of adversarial online learning where in each round one picks $B$ out of $N$ arms and incurs cost equal to the $\textit{minimum}$ of the costs of each arm chosen. We propose an algorithm called Follow the Perturbed Multiple Leaders (FPML) for this problem, which we show (by adapting the techniques of Kalai and Vempala [2005]) achieves expected regret $\mathcal{O}(T^{\frac{1}{B+1}}\ln(N)^{\frac{B}{B+1}})$ over time horizon $T$ relative to the $\textit{single}$ best arm in hindsight. This introduces a trade-off between the budget $B$ and the single-best-arm regret, and we proceed to investigate several applications of this trade-off. First, we observe that algorithms which use standard regret minimizers as subroutines can sometimes be adapted by replacing these subroutines with FPML, and we use this to generalize existing algorithms for Online Submodular Function Maximization [Streeter and Golovin, 2008] in both the full feedback and semi-bandit feedback settings. Next, we empirically evaluate our new algorithms on an online black-box hyperparameter optimization problem. Finally, we show how FPML can lead to new algorithms for Linear Programming which require stronger oracles at the benefit of fewer oracle calls.
Thomas Orton, Damon Falck
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2,022
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Rate-Optimal Online Convex Optimization in Adaptive Linear Control
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We consider the problem of controlling an unknown linear dynamical system under adversarially-changing convex costs and full feedback of both the state and cost function. We present the first computationally-efficient algorithm that attains an optimal $\sqrt{T}$-regret rate compared to the best stabilizing linear controller in hindsight, while avoiding stringent assumptions on the costs such as strong convexity. Our approach is based on a careful design of non-convex lower confidence bounds for the online costs, and uses a novel technique for computationally-efficient regret minimization of these bounds that leverages their particular non-convex structure.
Asaf Benjamin Cassel, Alon Peled-Cohen, Tomer Koren
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2,022
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Staggered Rollout Designs Enable Causal Inference Under Interference Without Network Knowledge
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Randomized experiments are widely used to estimate causal effects across many domains. However, classical causal inference approaches rely on independence assumptions that are violated by network interference, when the treatment of one individual influences the outcomes of others. All existing approaches require at least approximate knowledge of the network, which may be unavailable or costly to collect. We consider the task of estimating the total treatment effect (TTE), the average difference between the outcomes when the whole population is treated versus when the whole population is untreated. By leveraging a staggered rollout design, in which treatment is incrementally given to random subsets of individuals, we derive unbiased estimators for TTE that do not rely on any prior structural knowledge of the network, as long as the network interference effects are constrained to low-degree interactions among neighbors of an individual. We derive bounds on the variance of the estimators, and we show in experiments that our estimator performs well against baselines on simulated data. Central to our theoretical contribution is a connection between staggered rollout observations and polynomial extrapolation.
Mayleen Cortez, Matthew Eichhorn, Christina Yu
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2,022
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SAGDA: Achieving $\mathcal{O}(\epsilon^{-2})$ Communication Complexity in Federated Min-Max Learning
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Federated min-max learning has received increasing attention in recent years thanks to its wide range of applications in various learning paradigms. Similar to the conventional federated learning for empirical risk minimization problems, communication complexity also emerges as one of the most critical concerns that affects the future prospect of federated min-max learning. To lower the communication complexity of federated min-max learning, a natural approach is to utilize the idea of infrequent communications (through multiple local updates) same as in conventional federated learning. However, due to the more complicated inter-outer problem structure in federated min-max learning, theoretical understandings of communication complexity for federated min-max learning with infrequent communications remain very limited in the literature. This is particularly true for settings with non-i.i.d. datasets and partial client participation. To address this challenge, in this paper, we propose a new algorithmic framework called \ul{s}tochastic \ul{s}ampling \ul{a}veraging \ul{g}radient \ul{d}escent \ul{a}scent ($\mathsf{SAGDA}$), which i) assembles stochastic gradient estimators from randomly sampled clients as control variates and ii) leverages two learning rates on both server and client sides. We show that $\mathsf{SAGDA}$ achieves a linear speedup in terms of both the number of clients and local update steps, which yields an $\mathcal{O}(\epsilon^{-2})$ communication complexity that is orders of magnitude lower than the state of the art. Interestingly, by noting that the standard federated stochastic gradient descent ascent (FSGDA) is in fact a control-variate-free special version of $\mathsf{SAGDA}$, we immediately arrive at an $\mathcal{O}(\epsilon^{-2})$ communication complexity result for FSGDA. Therefore, through the lens of $\mathsf{SAGDA}$, we also advance the current understanding on communication complexity of the standard FSGDA method for federated min-max learning.
Haibo Yang, Zhuqing Liu, Xin Zhang, Jia Liu
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2,022
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Censored Quantile Regression Neural Networks for Distribution-Free Survival Analysis
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This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.
Tim Pearce, Jong-Hyeon Jeong, yichen jia, Jun Zhu
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2,022
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Enhance the Visual Representation via Discrete Adversarial Training
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Adversarial Training (AT), which is commonly accepted as one of the most effective approaches defending against adversarial examples, can largely harm the standard performance, thus has limited usefulness on industrial-scale production and applications. Surprisingly, this phenomenon is totally opposite in Natural Language Processing (NLP) task, where AT can even benefit for generalization. We notice the merit of AT in NLP tasks could derive from the discrete and symbolic input space. For borrowing the advantage from NLP-style AT, we propose Discrete Adversarial Training (DAT). DAT leverages VQGAN to reform the image data to discrete text-like inputs, i.e. visual words. Then it minimizes the maximal risk on such discrete images with symbolic adversarial perturbations. We further give an explanation from the perspective of distribution to demonstrate the effectiveness of DAT. As a plug-and-play technique for enhancing the visual representation, DAT achieves significant improvement on multiple tasks including image classification, object detection and self-supervised learning. Especially, the model pre-trained with Masked Auto-Encoding (MAE) and fine-tuned by our DAT without extra data can get 31.40 mCE on ImageNet-C and 32.77% top-1 accuracy on Stylized-ImageNet, building the new state-of-the-art. The code will be available at https://github.com/alibaba/easyrobust.
Xiaofeng Mao, YueFeng Chen, Ranjie Duan, Yao Zhu, Gege Qi, shaokai ye, Xiaodan Li, Rong Zhang, Hui Xue'
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2,022
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Memorization and Optimization in Deep Neural Networks with Minimum Over-parameterization
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The Neural Tangent Kernel (NTK) has emerged as a powerful tool to provide memorization, optimization and generalization guarantees in deep neural networks. A line of work has studied the NTK spectrum for two-layer and deep networks with at least a layer with $\Omega(N)$ neurons, $N$ being the number of training samples. Furthermore, there is increasing evidence suggesting that deep networks with sub-linear layer widths are powerful memorizers and optimizers, as long as the number of parameters exceeds the number of samples. Thus, a natural open question is whether the NTK is well conditioned in such a challenging sub-linear setup. In this paper, we answer this question in the affirmative. Our key technical contribution is a lower bound on the smallest NTK eigenvalue for deep networks with the minimum possible over-parameterization: up to logarithmic factors, the number of parameters is $\Omega(N)$ and, hence, the number of neurons is as little as $\Omega(\sqrt{N})$. To showcase the applicability of our NTK bounds, we provide two results concerning memorization capacity and optimization guarantees for gradient descent training.
Simone Bombari, Mohammad Hossein Amani, Marco Mondelli
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2,022
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Continual Learning with Evolving Class Ontologies
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Lifelong learners must recognize concept vocabularies that evolve over time. A common yet underexplored scenario is learning with class labels that continually refine/expand old classes. For example, humans learn to recognize ${\tt dog}$ before dog breeds. In practical settings, dataset ${\it versioning}$ often introduces refinement to ontologies, such as autonomous vehicle benchmarks that refine a previous ${\tt vehicle}$ class into ${\tt school-bus}$ as autonomous operations expand to new cities. This paper formalizes a protocol for studying the problem of ${\it Learning with Evolving Class Ontology}$ (LECO). LECO requires learning classifiers in distinct time periods (TPs); each TP introduces a new ontology of "fine" labels that refines old ontologies of "coarse" labels (e.g., dog breeds that refine the previous ${\tt dog}$). LECO explores such questions as whether to annotate new data or relabel the old, how to exploit coarse labels, and whether to finetune the previous TP's model or train from scratch. To answer these questions, we leverage insights from related problems such as class-incremental learning. We validate them under the LECO protocol through the lens of image classification (on CIFAR and iNaturalist) and semantic segmentation (on Mapillary). Extensive experiments lead to some surprising conclusions; while the current status quo in the field is to relabel existing datasets with new class ontologies (such as COCO-to-LVIS or Mapillary1.2-to-2.0), LECO demonstrates that a far better strategy is to annotate ${\it new}$ data with the new ontology. However, this produces an aggregate dataset with inconsistent old-vs-new labels, complicating learning. To address this challenge, we adopt methods from semi-supervised and partial-label learning. We demonstrate that such strategies can surprisingly be made near-optimal, in the sense of approaching an "oracle" that learns on the aggregate dataset exhaustively labeled with the newest ontology.
Zhiqiu Lin, Deepak Pathak, Yu-Xiong Wang, Deva Ramanan, Shu Kong
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2,022
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Society of Agents: Regret Bounds of Concurrent Thompson Sampling
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We consider the concurrent reinforcement learning problem where $n$ agents simultaneously learn to make decisions in the same environment by sharing experience with each other. Existing works in this emerging area have empirically demonstrated that Thompson sampling (TS) based algorithms provide a particularly attractive alternative for inducing cooperation, because each agent can independently sample a belief environment (and compute a corresponding optimal policy) from the joint posterior computed by aggregating all agents' data , which induces diversity in exploration among agents while benefiting shared experience from all agents. However, theoretical guarantees in this area remain under-explored; in particular, no regret bound is known on TS based concurrent RL algorithms. In this paper, we fill in this gap by considering two settings. In the first, we study the simple finite-horizon episodic RL setting, where TS is naturally adapted into the concurrent setup by having each agent sample from the current joint posterior at the beginning of each episode. We establish a $\tilde{O}(HS\sqrt{\frac{AT}{n}})$ per-agent regret bound, where $H$ is the horizon of the episode, $S$ is the number of states, $A$ is the number of actions, $T$ is the number of episodes and $n$ is the number of agents. In the second setting, we consider the infinite-horizon RL problem, where a policy is measured by its long-run average reward. Here, despite not having natural episodic breakpoints, we show that by a doubling-horizon schedule, we can adapt TS to the infinite-horizon concurrent learning setting to achieve a regret bound of $\tilde{O}(DS\sqrt{ATn})$, where $D$ is the standard notion of diameter of the underlying MDP and $T$ is the number of timesteps. Note that in both settings, the per-agent regret decreases at an optimal rate of $\Theta(\frac{1}{\sqrt{n}})$, which manifests the power of cooperation in concurrent RL.
Yan Chen, Perry Dong, Qinxun Bai, Maria Dimakopoulou, Wei Xu, Zhengyuan Zhou
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2,022
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Grounded Reinforcement Learning: Learning to Win the Game under Human Commands
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We consider the problem of building a reinforcement learning (RL) agent that can both accomplish non-trivial tasks, like winning a real-time strategy game, and strictly follow high-level language commands from humans, like “attack”, even if a command is sub-optimal. We call this novel yet important problem, Grounded Reinforcement Learning (GRL). Compared with other language grounding tasks, GRL is particularly non-trivial and cannot be simply solved by pure RL or behavior cloning (BC). From the RL perspective, it is extremely challenging to derive a precise reward function for human preferences since the commands are abstract and the valid behaviors are highly complicated and multi-modal. From the BC perspective, it is impossible to obtain perfect demonstrations since human strategies in complex games are typically sub-optimal. We tackle GRL via a simple, tractable, and practical constrained RL objective and develop an iterative RL algorithm, REinforced demonstration Distillation (RED), to obtain a strong GRL policy. We evaluate the policies derived by RED, BC and pure RL methods on a simplified real-time strategy game, MiniRTS. Experiment results and human studies show that the RED policy is able to consistently follow human commands and achieve a higher win rate than the baselines. We release our code and present more examples at https://sites.google.com/view/grounded-rl.
Shusheng Xu, Huaijie Wang, YI WU
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2,022
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CEIP: Combining Explicit and Implicit Priors for Reinforcement Learning with Demonstrations
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Although reinforcement learning has found widespread use in dense reward settings, training autonomous agents with sparse rewards remains challenging. To address this difficulty, prior work has shown promising results when using not only task-specific demonstrations but also task-agnostic albeit somewhat related demonstrations. In most cases, the available demonstrations are distilled into an implicit prior, commonly represented via a single deep net. Explicit priors in the form of a database that can be queried have also been shown to lead to encouraging results. To better benefit from available demonstrations, we develop a method to Combine Explicit and Implicit Priors (CEIP). CEIP exploits multiple implicit priors in the form of normalizing flows in parallel to form a single complex prior. Moreover, CEIP uses an effective explicit retrieval and push-forward mechanism to condition the implicit priors. In three challenging environments, we find the proposed CEIP method to improve upon sophisticated state-of-the-art techniques.
Kai Yan, Alex Schwing, Yu-Xiong Wang
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2,022
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Efficient and Near-Optimal Smoothed Online Learning for Generalized Linear Functions
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Due to the drastic gap in complexity between sequential and batch statistical learning, recent work has studied a smoothed sequential learning setting, where Nature is constrained to select contexts with density bounded by $1/\sigma$ with respect to a known measure $\mu$. Unfortunately, for some function classes, there is an exponential gap between the statistically optimal regret and that which can be achieved efficiently. In this paper, we give a computationally efficient algorithm that is the first to enjoy the statistically optimal $\log(T/\sigma)$ regret for realizable $K$-wise linear classification. We extend our results to settings where the true classifier is linear in an over-parameterized polynomial featurization of the contexts, as well as to a realizable piecewise-regression setting assuming access to an appropriate ERM oracle. Somewhat surprisingly, standard disagreement-based analyses are insufficient to achieve regret logarithmic in $1/\sigma$. Instead, we develop a novel characterization of the geometry of the disagreement region induced by generalized linear classifiers. Along the way, we develop numerous technical tools of independent interest, including a general anti-concentration bound for the determinant of certain matrix averages.
Adam Block, Max Simchowitz
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2,022
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Natural Color Fool: Towards Boosting Black-box Unrestricted Attacks
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Unrestricted color attacks, which manipulate semantically meaningful color of an image, have shown their stealthiness and success in fooling both human eyes and deep neural networks. However, current works usually sacrifice the flexibility of the uncontrolled setting to ensure the naturalness of adversarial examples. As a result, the black-box attack performance of these methods is limited. To boost transferability of adversarial examples without damaging image quality, we propose a novel Natural Color Fool (NCF) which is guided by realistic color distributions sampled from a publicly available dataset and optimized by our neighborhood search and initialization reset. By conducting extensive experiments and visualizations, we convincingly demonstrate the effectiveness of our proposed method. Notably, on average, results show that our NCF can outperform state-of-the-art approaches by 15.0%$\sim$32.9% for fooling normally trained models and 10.0%$\sim$25.3% for evading defense methods. Our code is available at https://github.com/VL-Group/Natural-Color-Fool.
Shengming Yuan, Qilong Zhang, Lianli Gao, Yaya Cheng, Jingkuan Song
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2,022
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Learning Graph-embedded Key-event Back-tracing for Object Tracking in Event Clouds
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Event data-based object tracking is attracting attention increasingly. Unfortunately, the unusual data structure caused by the unique sensing mechanism poses great challenges in designing downstream algorithms. To tackle such challenges, existing methods usually re-organize raw event data (or event clouds) with the event frame/image representation to adapt to mature RGB data-based tracking paradigms, which compromises the high temporal resolution and sparse characteristics. By contrast, we advocate developing new designs/techniques tailored to the special data structure to realize object tracking. To this end, we make the first attempt to construct a new end-to-end learning-based paradigm that directly consumes event clouds. Specifically, to process a non-uniformly distributed large-scale event cloud efficiently, we propose a simple yet effective density-insensitive downsampling strategy to sample a subset called key-events. Then, we employ a graph-based network to embed the irregular spatio-temporal information of key-events into a high-dimensional feature space, and the resulting embeddings are utilized to predict their target likelihoods via semantic-driven Siamese-matching. Besides, we also propose motion-aware target likelihood prediction, which learns the motion flow to back-trace the potential initial positions of key-events and measures them with the previous proposal. Finally, we obtain the bounding box by adaptively fusing the two intermediate ones separately regressed from the weighted embeddings of key-events by the two types of predicted target likelihoods. Extensive experiments on both synthetic and real event datasets demonstrate the superiority of the proposed framework over state-of-the-art methods in terms of both the tracking accuracy and speed. The code is publicly available at https://github.com/ZHU-Zhiyu/Event-tracking.
Zhiyu Zhu, Junhui Hou, Xianqiang Lyu
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2,022
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LAMP: Extracting Text from Gradients with Language Model Priors
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Recent work shows that sensitive user data can be reconstructed from gradient updates, breaking the key privacy promise of federated learning. While success was demonstrated primarily on image data, these methods do not directly transfer to other domains such as text. In this work, we propose LAMP, a novel attack tailored to textual data, that successfully reconstructs original text from gradients. Our attack is based on two key insights: (i) modelling prior text probability via an auxiliary language model, guiding the search towards more natural text, and (ii) alternating continuous and discrete optimization which minimizes reconstruction loss on embeddings while avoiding local minima via discrete text transformations. Our experiments demonstrate that LAMP is significantly more effective than prior work: it reconstructs 5x more bigrams and $23\%$ longer subsequences on average. Moreover, we are first to recover inputs from batch sizes larger than 1 for textual models. These findings indicate that gradient updates of models operating on textual data leak more information than previously thought.
Mislav Balunovic, Dimitar Dimitrov, Nikola Jovanović, Martin Vechev
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2,022
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A Non-asymptotic Analysis of Non-parametric Temporal-Difference Learning
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Temporal-difference learning is a popular algorithm for policy evaluation. In this paper, we study the convergence of the regularized non-parametric TD(0) algorithm, in both the independent and Markovian observation settings. In particular, when TD is performed in a universal reproducing kernel Hilbert space (RKHS), we prove convergence of the averaged iterates to the optimal value function, even when it does not belong to the RKHS. We provide explicit convergence rates that depend on a source condition relating the regularity of the optimal value function to the RKHS. We illustrate this convergence numerically on a simple continuous-state Markov reward process.
Eloïse Berthier, Ziad Kobeissi, Francis Bach
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2,022
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Explainability Via Causal Self-Talk
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Explaining the behavior of AI systems is an important problem that, in practice, is generally avoided. While the XAI community has been developing an abundance of techniques, most incur a set of costs that the wider deep learning community has been unwilling to pay in most situations. We take a pragmatic view of the issue, and define a set of desiderata that capture both the ambitions of XAI and the practical constraints of deep learning. We describe an effective way to satisfy all the desiderata: train the AI system to build a causal model of itself. We develop an instance of this solution for Deep RL agents: Causal Self-Talk. CST operates by training the agent to communicate with itself across time. We implement this method in a simulated 3D environment, and show how it enables agents to generate faithful and semantically-meaningful explanations of their own behavior. Beyond explanations, we also demonstrate that these learned models provide new ways of building semantic control interfaces to AI systems.
Nicholas A. Roy, Junkyung Kim, Neil Rabinowitz
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2,022
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On the SDEs and Scaling Rules for Adaptive Gradient Algorithms
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Approximating Stochastic Gradient Descent (SGD) as a Stochastic Differential Equation (SDE) has allowed researchers to enjoy the benefits of studying a continuous optimization trajectory while carefully preserving the stochasticity of SGD. Analogous study of adaptive gradient methods, such as RMSprop and Adam, has been challenging because there were no rigorously proven SDE approximations for these methods. This paper derives the SDE approximations for RMSprop and Adam, giving theoretical guarantees of their correctness as well as experimental validation of their applicability to common large-scaling vision and language settings. A key practical result is the derivation of a square root scaling rule to adjust the optimization hyperparameters of RMSprop and Adam when changing batch size, and its empirical validation in deep learning settings.
Sadhika Malladi, Kaifeng Lyu, Abhishek Panigrahi, Sanjeev Arora
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2,022
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Old can be Gold: Better Gradient Flow can Make Vanilla-GCNs Great Again
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Despite the enormous success of Graph Convolutional Networks (GCNs) in modeling graph-structured data, most of the current GCNs are shallow due to the notoriously challenging problems of over-smoothening and information squashing along with conventional difficulty caused by vanishing gradients and over-fitting. Previous works have been primarily focused on the study of over-smoothening and over-squashing phenomena in training deep GCNs. Surprisingly, in comparison with CNNs/RNNs, very limited attention has been given to understanding how healthy gradient flow can benefit the trainability of deep GCNs. In this paper, firstly, we provide a new perspective of gradient flow to understand the substandard performance of deep GCNs and hypothesize that by facilitating healthy gradient flow, we can significantly improve their trainability, as well as achieve state-of-the-art (SOTA) level performance from vanilla-GCNs. Next, we argue that blindly adopting the Glorot initialization for GCNs is not optimal, and derive a topology-aware isometric initialization scheme for vanilla-GCNs based on the principles of isometry. Additionally, contrary to ad-hoc addition of skip-connections, we propose to use gradient-guided dynamic rewiring of vanilla-GCNs with skip connections. Our dynamic rewiring method uses the gradient flow within each layer during training to introduce on-demand skip-connections adaptively. We provide extensive empirical evidence across multiple datasets that our methods improve gradient flow in deep vanilla-GCNs and significantly boost their performance to comfortably compete and outperform many fancy state-of-the-art methods. Codes are available at: https://github.com/VITA-Group/GradientGCN.
AJAY JAISWAL, Peihao Wang, Tianlong Chen, Justin Rousseau, Ying Ding, Zhangyang Wang
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2,022
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Egocentric Video-Language Pretraining
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Video-Language Pretraining (VLP), which aims to learn transferable representation to advance a wide range of video-text downstream tasks, has recently received increasing attention. Best performing works rely on large-scale, 3rd-person video-text datasets, such as HowTo100M. In this work, we exploit the recently released Ego4D dataset to pioneer Egocentric VLP along three directions. (i) We create EgoClip, a 1st-person video-text pretraining dataset comprising 3.8M clip-text pairs well-chosen from Ego4D, covering a large variety of human daily activities. (ii) We propose a novel pretraining objective, dubbed EgoNCE, which adapts video-text contrastive learning to the egocentric domain by mining egocentric-aware positive and negative samples. (iii) We introduce EgoMCQ, a development benchmark that is close to EgoClip and hence can support effective validation and fast exploration of our design decisions in EgoClip and EgoNCE. Furthermore, we demonstrate strong performance on five egocentric downstream tasks across three datasets: video-text retrieval on EPIC-KITCHENS-100; action recognition on Charades-Ego; natural language query, moment query, and object state change classification on Ego4D challenge benchmarks. The dataset and code are available at https://github.com/showlab/EgoVLP.
Kevin Qinghong Lin, Jinpeng Wang, Mattia Soldan, Michael Wray, Rui Yan, Eric Z. XU, Difei Gao, Rong-Cheng Tu, Wenzhe Zhao, Weijie Kong, Chengfei Cai, WANG HongFa, Dima Damen, Bernard Ghanem, Wei Liu, Mike Zheng Shou
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2,022
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Systematic improvement of neural network quantum states using Lanczos
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The quantum many-body problem lies at the center of the most important open challenges in condensed matter, quantum chemistry, atomic, nuclear, and high-energy physics. While quantum Monte Carlo, when applicable, remains the most powerful numerical technique capable of treating dozens or hundreds of degrees of freedom with high accuracy, it is restricted to models that are not afflicted by the infamous sign problem. A powerful alternative that has emerged in recent years is the use of neural networks as variational estimators for quantum states. In this work, we propose a symmetry-projected variational solution in the form of linear combinations of simple restricted Boltzmann machines. This construction allows one to explore states outside of the original variational manifold and increase the representation power with moderate computational effort. Besides allowing one to restore spatial symmetries, an expansion in terms of Krylov states using a Lanczos recursion offers a solution that can further improve the quantum state accuracy. We illustrate these ideas with an application to the Heisenberg $J_1-J_2$ model on the square lattice, a paradigmatic problem under debate in condensed matter physics, and achieve state-of-the-art accuracy in the representation of the ground state.
Hongwei Chen, Douglas Hendry, Phillip Weinberg, Adrian Feiguin
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2,022
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A gradient estimator via L1-randomization for online zero-order optimization with two point feedback
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This work studies online zero-order optimization of convex and Lipschitz functions. We present a novel gradient estimator based on two function evaluations and randomization on the $\ell_1$-sphere. Considering different geometries of feasible sets and Lipschitz assumptions we analyse online dual averaging algorithm with our estimator in place of the usual gradient. We consider two types of assumptions on the noise of the zero-order oracle: canceling noise and adversarial noise. We provide an anytime and completely data-driven algorithm, which is adaptive to all parameters of the problem. In the case of canceling noise that was previously studied in the literature, our guarantees are either comparable or better than state-of-the-art bounds obtained by~\citet{duchi2015} and \citet{Shamir17} for non-adaptive algorithms. Our analysis is based on deriving a new weighted Poincaré type inequality for the uniform measure on the $\ell_1$-sphere with explicit constants, which may be of independent interest.
Arya Akhavan, Evgenii Chzhen, Massimiliano Pontil, Alexandre Tsybakov
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2,022
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Implications of Model Indeterminacy for Explanations of Automated Decisions
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There has been a significant research effort focused on explaining predictive models, for example through post-hoc explainability and recourse methods. Most of the proposed techniques operate upon a single, fixed, predictive model. However, it is well-known that given a dataset and a predictive task, there may be a multiplicity of models that solve the problem (nearly) equally well. In this work, we investigate the implications of this kind of model indeterminacy on the post-hoc explanations of predictive models. We show how it can lead to explanatory multiplicity, and we explore the underlying drivers. We show how predictive multiplicity, and the related concept of epistemic uncertainty, are not reliable indicators of explanatory multiplicity. We further illustrate how a set of models showing very similar aggregate performance on a test dataset may show large variations in their local explanations, i.e., for a specific input. We explore these effects for Shapley value based explanations on three risk assessment datasets. Our results indicate that model indeterminacy may have a substantial impact on explanations in practice, leading to inconsistent and even contradicting explanations.
Marc-Etienne Brunet, Ashton Anderson, Richard Zemel
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2,022
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Improving Neural Ordinary Differential Equations with Nesterov's Accelerated Gradient Method
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We propose the Nesterov neural ordinary differential equations (NesterovNODEs), whose layers solve the second-order ordinary differential equations (ODEs) limit of Nesterov's accelerated gradient (NAG) method, and a generalization called GNesterovNODEs. Taking the advantage of the convergence rate $\mathcal{O}(1/k^{2})$ of the NAG scheme, GNesterovNODEs speed up training and inference by reducing the number of function evaluations (NFEs) needed to solve the ODEs. We also prove that the adjoint state of a GNesterovNODEs also satisfies a GNesterovNODEs, thus accelerating both forward and backward ODE solvers and allowing the model to be scaled up for large-scale tasks. We empirically corroborate the advantage of GNesterovNODEs on a wide range of practical applications, including point cloud separation, image classification, and sequence modeling. Compared to NODEs, GNesterovNODEs require a significantly smaller number of NFEs while achieving better accuracy across our experiments.
Ho Huu Nghia Nguyen, Tan Nguyen, Huyen Vo, Stanley Osher, Thieu Vo
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2,022
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Path Independent Equilibrium Models Can Better Exploit Test-Time Computation
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Designing networks capable of attaining better performance with an increased inference budget is important to facilitate generalization to harder problem instances. Recent efforts have shown promising results in this direction by making use of depth-wise recurrent networks. In this work, we reproduce the performance of the prior art using a broader class of architectures called equilibrium models, and find that stronger generalization performance on harder examples (which require more iterations of inference to get correct) strongly correlates with the path independence of the system—its ability to converge to the same attractor (or limit cycle) regardless of initialization, given enough computation. Experimental interventions made to promote path independence result in improved generalization on harder (and thus more compute-hungry) problem instances, while those that penalize it degrade this ability. Path independence analyses are also useful on a per-example basis: for equilibrium models that have good in-distribution performance, path independence on out-of-distribution samples strongly correlates with accuracy. Thus, considering equilibrium models and path independence jointly leads to a valuable new viewpoint under which we can study the generalization performance of these networks on hard problem instances.
Cem Anil, Ashwini Pokle, Kaiqu Liang, Johannes Treutlein, Yuhuai Wu, Shaojie Bai, J. Zico Kolter, Roger B. Grosse
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2,022
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Evaluating Graph Generative Models with Contrastively Learned Features
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A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of randomly initialized Graph Neural Networks (GNNs). We propose using representations from constrastively trained GNNs, rather than random GNNs, and show this gives more reliable evaluation metrics. Neither traditional approaches nor GNN-based approaches dominate the other, however: we give examples of graphs that each approach is unable to distinguish. We demonstrate that Graph Substructure Networks (GSNs), which in a way combine both approaches, are better at distinguishing the distances between graph datasets.
Hamed Shirzad, Kaveh Hassani, Danica J. Sutherland
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2,022
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VER: Scaling On-Policy RL Leads to the Emergence of Navigation in Embodied Rearrangement
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We present Variable Experience Rollout (VER), a technique for efficiently scaling batched on-policy reinforcement learning in heterogenous environments (where different environments take vastly different times to generate rollouts) to many GPUs residing on, potentially, many machines. VER combines the strengths of and blurs the line between synchronous and asynchronous on-policy RL methods (SyncOnRL and AsyncOnRL, respectively). Specifically, it learns from on-policy experience (like SyncOnRL) and has no synchronization points (like AsyncOnRL) enabling high throughput.We find that VER leads to significant and consistent speed-ups across a broad range of embodied navigation and mobile manipulation tasks in photorealistic 3D simulation environments. Specifically, for PointGoal navigation and ObjectGoal navigation in Habitat 1.0, VER is 60-100% faster (1.6-2x speedup) than DD-PPO, the current state of art for distributed SyncOnRL, with similar sample efficiency. For mobile manipulation tasks (open fridge/cabinet, pick/place objects) in Habitat 2.0 VER is 150% faster (2.5x speedup) on 1 GPU and 170% faster (2.7x speedup) on 8 GPUs than DD-PPO. Compared to SampleFactory (the current state-of-the-art AsyncOnRL), VER matches its speed on 1 GPU, and is 70% faster (1.7x speedup) on 8 GPUs with better sample efficiency.We leverage these speed-ups to train chained skills for GeometricGoal rearrangement tasks in the Home Assistant Benchmark (HAB). We find a surprising emergence of navigation in skills that do not ostensible require any navigation. Specifically, the Pick skill involves a robot picking an object from a table. During training the robot was always spawned close to the table and never needed to navigate. However, we find that if base movement is part of the action space, the robot learns to navigate then pick an object in new environments with 50% success, demonstrating surprisingly high out-of-distribution generalization.
Erik Wijmans, Irfan Essa, Dhruv Batra
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2,022
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FairVFL: A Fair Vertical Federated Learning Framework with Contrastive Adversarial Learning
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Vertical federated learning (VFL) is a privacy-preserving machine learning paradigm that can learn models from features distributed on different platforms in a privacy-preserving way. Since in real-world applications the data may contain bias on fairness-sensitive features (e.g., gender), VFL models may inherit bias from training data and become unfair for some user groups. However, existing fair machine learning methods usually rely on the centralized storage of fairness-sensitive features to achieve model fairness, which are usually inapplicable in federated scenarios. In this paper, we propose a fair vertical federated learning framework (FairVFL), which can improve the fairness of VFL models. The core idea of FairVFL is to learn unified and fair representations of samples based on the decentralized feature fields in a privacy-preserving way. Specifically, each platform with fairness-insensitive features first learns local data representations from local features. Then, these local representations are uploaded to a server and aggregated into a unified representation for the target task. In order to learn a fair unified representation, we send it to each platform storing fairness-sensitive features and apply adversarial learning to remove bias from the unified representation inherited from the biased data. Moreover, for protecting user privacy, we further propose a contrastive adversarial learning method to remove private information from the unified representation in server before sending it to the platforms keeping fairness-sensitive features. Experiments on three real-world datasets validate that our method can effectively improve model fairness with user privacy well-protected.
Tao Qi, Fangzhao Wu, Chuhan Wu, Lingjuan Lyu, Tong Xu, Hao Liao, Zhongliang Yang, Yongfeng Huang, Xing Xie
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2,022
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Meta-Reinforcement Learning with Self-Modifying Networks
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Deep Reinforcement Learning has demonstrated the potential of neural networks tuned with gradient descent for solving complex tasks in well-delimited environments. However, these neural systems are slow learners producing specialized agents with no mechanism to continue learning beyond their training curriculum. On the contrary, biological synaptic plasticity is persistent and manifold, and has been hypothesized to play a key role in executive functions such as working memory and cognitive flexibility, potentially supporting more efficient and generic learning abilities. Inspired by this, we propose to build networks with dynamic weights, able to continually perform self-reflexive modification as a function of their current synaptic state and action-reward feedback, rather than a fixed network configuration. The resulting model, MetODS (for Meta-Optimized Dynamical Synapses) is a broadly applicable meta-reinforcement learning system able to learn efficient and powerful control rules in the agent policy space. A single layer with dynamic synapses can perform one-shot learning, generalize navigation principles to unseen environments and demonstrates a strong ability to learn adaptive motor policies, comparing favorably with previous meta-reinforcement learning approaches.
Mathieu Chalvidal, Thomas Serre, Rufin VanRullen
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2,022
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Debugging and Explaining Metric Learning Approaches: An Influence Function Based Perspective
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Deep metric learning (DML) learns a generalizable embedding space where the representations of semantically similar samples are closer. Despite achieving good performance, the state-of-the-art models still suffer from the generalization errors such as farther similar samples and closer dissimilar samples in the space. In this work, we design an empirical influence function (EIF), a debugging and explaining technique for the generalization errors of state-of-the-art metric learning models. EIF is designed to efficiently identify and quantify how a subset of training samples contributes to the generalization errors. Moreover, given a user-specific error, EIF can be used to relabel a potentially noisy training sample as mitigation. In our quantitative experiment, EIF outperforms the traditional baseline in identifying more relevant training samples with statistical significance and 33.5% less time. In the field study on well-known datasets such as CUB200, CARS196, and InShop, EIF identifies 4.4%, 6.6%, and 17.7% labelling mistakes, indicating the direction of the DML community to further improve the model performance. Our code is available at https://github.com/lindsey98/Influencefunctionmetric_learning.
Ruofan Liu, Yun Lin, XIANGLIN YANG, Jin Song Dong
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2,022
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CLEVRER-Humans: Describing Physical and Causal Events the Human Way
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Building machines that can reason about physical events and their causal relationships is crucial for flexible interaction with the physical world. However, most existing physical and causal reasoning benchmarks are exclusively based on synthetically generated events and synthetic natural language descriptions of the causal relationships. This design brings up two issues. First, there is a lack of diversity in both event types and natural language descriptions; second, causal relationships based on manually-defined heuristics are different from human judgments. To address both shortcomings, we present the CLEVRER-Humans benchmark, a video reasoning dataset for causal judgment of physical events with human labels. We employ two techniques to improve data collection efficiency: first, a novel iterative event cloze task to elicit a new representation of events in videos, which we term Causal Event Graphs (CEGs); second, a data augmentation technique based on neural language generative models. We convert the collected CEGs into questions and answers to be consistent with prior work. Finally, we study a collection of baseline approaches for CLEVRER-Humans question-answering, highlighting great challenges set forth by our benchmark.
Jiayuan Mao, Xuelin Yang, Xikun Zhang, Noah Goodman, Jiajun Wu
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2,022
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Multiview Human Body Reconstruction from Uncalibrated Cameras
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We present a new method to reconstruct 3D human body pose and shape by fusing visual features from multiview images captured by uncalibrated cameras. Existing multiview approaches often use spatial camera calibration (intrinsic and extrinsic parameters) to geometrically align and fuse visual features. Despite remarkable performances, the requirement of camera calibration restricted their applicability to real-world scenarios, e.g., reconstruction from social videos with wide-baseline cameras. We address this challenge by leveraging the commonly observed human body as a semantic calibration target, which eliminates the requirement of camera calibration. Specifically, we map per-pixel image features to a canonical body surface coordinate system agnostic to views and poses using dense keypoints (correspondences). This feature mapping allows us to semantically, instead of geometrically, align and fuse visual features from multiview images. We learn a self-attention mechanism to reason about the confidence of visual features across and within views. With fused visual features, a regressor is learned to predict the parameters of a body model. We demonstrate that our calibration-free multiview fusion method reliably reconstructs 3D body pose and shape, outperforming state-of-the-art single view methods with post-hoc multiview fusion, particularly in the presence of non-trivial occlusion, and showing comparable accuracy to multiview methods that require calibration.
Zhixuan Yu, Linguang Zhang, Yuanlu Xu, Chengcheng Tang, LUAN TRAN, Cem Keskin, Hyun Soo Park
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2,022
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Incorporating Bias-aware Margins into Contrastive Loss for Collaborative Filtering
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Collaborative filtering (CF) models easily suffer from popularity bias, which makes recommendation deviate from users’ actual preferences. However, most current debiasing strategies are prone to playing a trade-off game between head and tail performance, thus inevitably degrading the overall recommendation accuracy. To reduce the negative impact of popularity bias on CF models, we incorporate Bias-aware margins into Contrastive loss and propose a simple yet effective BC Loss, where the margin tailors quantitatively to the bias degree of each user-item interaction. We investigate the geometric interpretation of BC loss, then further visualize and theoretically prove that it simultaneously learns better head and tail representations by encouraging the compactness of similar users/items and enlarging the dispersion of dissimilar users/items. Over six benchmark datasets, we use BC loss to optimize two high-performing CF models. In various evaluation settings (i.e., imbalanced/balanced, temporal split, fully-observed unbiased, tail/head test evaluations), BC loss outperforms the state-of-the-art debiasing and non-debiasing methods with remarkable improvements. Considering the theoretical guarantee and empirical success of BC loss, we advocate using it not just as a debiasing strategy, but also as a standard loss in recommender models. Codes are available at https://github.com/anzhang314/BC-Loss.
An Zhang, Wenchang Ma, Xiang Wang, Tat-Seng Chua
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2,022
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Neural Attentive Circuits
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Recent work has seen the development of general purpose neural architectures that can be trained to perform tasks across diverse data modalities. General purpose models typically make few assumptions about the underlying data-structure and are known to perform well in the large-data regime. At the same time, there has been growing interest in modular neural architectures that represent the data using sparsely interacting modules. These models can be more robust out-of-distribution, computationally efficient, and capable of sample-efficient adaptation to new data. However, they tend to make domain-specific assumptions about the data, and present challenges in how module behavior (i.e., parameterization) and connectivity (i.e., their layout) can be jointly learned. In this work, we introduce a general purpose, yet modular neural architecture called Neural Attentive Circuits (NACs) that jointly learns the parameterization and a sparse connectivity of neural modules without using domain knowledge. NACs are best understood as the combination of two systems that are jointly trained end-to-end: one that determines the module configuration and the other that executes it on an input. We demonstrate qualitatively that NACs learn diverse and meaningful module configurations on the Natural Language and Visual Reasoning for Real (NLVR2) dataset without additional supervision. Quantitatively, we show that by incorporating modularity in this way, NACs improve upon a strong non-modular baseline in terms of low-shot adaptation on CIFAR and Caltech-UCSD Birds dataset (CUB) by about 10 percent, and OOD robustness on Tiny ImageNet-R by about 2.5 percent. Further, we find that NACs can achieve an 8x speedup at inference time while losing less than 3 percent performance. Finally, we find NACs to yield competitive results on diverse data modalities spanning point-cloud classification, symbolic processing and text-classification from ASCII bytes, thereby confirming its general purpose nature.
Martin Weiss, Nasim Rahaman, Francesco Locatello, Chris Pal, Yoshua Bengio, Bernhard Schölkopf, Erran Li Li, Nicolas Ballas
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2,022
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3D Concept Grounding on Neural Fields
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In this paper, we address the challenging problem of 3D concept grounding (i.e., segmenting and learning visual concepts) by looking at RGBD images and reasoning about paired questions and answers. Existing visual reasoning approaches typically utilize supervised methods to extract 2D segmentation masks on which concepts are grounded. In contrast, humans are capable of grounding concepts on the underlying 3D representation of images. However, traditionally inferred 3D representations (e.g., point clouds, voxelgrids and meshes) cannot capture continuous 3D features flexibly, thus making it challenging to ground concepts to 3D regions based on the language description of the object being referred to. To address both issues, we propose to leverage the continuous, differentiable nature of neural fields to segment and learn concepts. Specifically, each 3D coordinate in a scene is represented as a high dimensional descriptor. Concept grounding can then be performed by computing the similarity between the descriptor vector of a 3D coordinate and the vector embedding of a language concept, which enables segmentations and concept learning to be jointly learned on neural fields in a differentiable fashion. As a result, both 3D semantic and instance segmentations can emerge directly from question answering supervision using a set of defined neural operators on top of neural fields (e.g., filtering and counting). Experimental results show that our proposed framework outperforms unsupervised / language-mediated segmentation models on semantic and instance segmentation tasks, as well as outperforms existing models on the challenging 3D aware visual reasoning tasks. Furthermore, our framework can generalize well to unseen shape categories and real scans.
Yining Hong, Yilun Du, Chunru Lin, Josh Tenenbaum, Chuang Gan
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2,022
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Transform Once: Efficient Operator Learning in Frequency Domain
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Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in predictive error across tasks.
Michael Poli, Stefano Massaroli, Federico Berto, Jinkyoo Park, Tri Dao, Christopher Ré, Stefano Ermon
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2,022
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Parameter-free Regret in High Probability with Heavy Tails
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We present new algorithms for online convex optimization over unbounded domains that obtain parameter-free regret in high-probability given access only to potentially heavy-tailed subgradient estimates. Previous work in unbounded domains con- siders only in-expectation results for sub-exponential subgradients. Unlike in the bounded domain case, we cannot rely on straight-forward martingale concentration due to exponentially large iterates produced by the algorithm. We develop new regularization techniques to overcome these problems. Overall, with probability at most δ, for all comparators u our algorithm achieves regret O ̃(∥u∥T 1/p log(1/δ)) for subgradients with bounded pth moments for some p ∈ (1, 2].
Jiujia Zhang, Ashok Cutkosky
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2,022
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Fused Orthogonal Alternating Least Squares for Tensor Clustering
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We introduce a multi-modes tensor clustering method that implements a fused version of the alternating least squares algorithm (Fused-Orth-ALS) for simultaneous tensor factorization and clustering. The statistical convergence rates of recovery and clustering are established when the data are a noise contaminated tensor with a latent low rank CP decomposition structure. Furthermore, we show that a modified alternating least squares algorithm can provably recover the true latent low rank factorization structure when the data form an asymmetric tensor with perturbation. Clustering consistency is also established. Finally, we illustrate the accuracy and computational efficient implementation of the Fused-Orth-ALS algorithm by using both simulations and real datasets.
Jiacheng Wang, Dan Nicolae
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2,022
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A Consistent and Differentiable Lp Canonical Calibration Error Estimator
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Calibrated probabilistic classifiers are models whose predicted probabilities can directly be interpreted as uncertainty estimates. It has been shown recently that deep neural networks are poorly calibrated and tend to output overconfident predictions. As a remedy, we propose a low-bias, trainable calibration error estimator based on Dirichlet kernel density estimates, which asymptotically converges to the true $L_p$ calibration error. This novel estimator enables us to tackle the strongest notion of multiclass calibration, called canonical (or distribution) calibration, while other common calibration methods are tractable only for top-label and marginal calibration. The computational complexity of our estimator is $\mathcal{O}(n^2)$, the convergence rate is $\mathcal{O}(n^{-1/2})$, and it is unbiased up to $\mathcal{O}(n^{-2})$, achieved by a geometric series debiasing scheme. In practice, this means that the estimator can be applied to small subsets of data, enabling efficient estimation and mini-batch updates. The proposed method has a natural choice of kernel, and can be used to generate consistent estimates of other quantities based on conditional expectation, such as the sharpness of a probabilistic classifier. Empirical results validate the correctness of our estimator, and demonstrate its utility in canonical calibration error estimation and calibration error regularized risk minimization.
Teodora Popordanoska, Raphael Sayer, Matthew Blaschko
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2,022
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Distributed Distributionally Robust Optimization with Non-Convex Objectives
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Distributionally Robust Optimization (DRO), which aims to find an optimal decision that minimizes the worst case cost over the ambiguity set of probability distribution, has been applied in diverse applications, e.g., network behavior analysis, risk management, etc. However, existing DRO techniques face three key challenges: 1) how to deal with the asynchronous updating in a distributed environment; 2) how to leverage the prior distribution effectively; 3) how to properly adjust the degree of robustness according to difference scenarios. To this end, we propose an asynchronous distributed algorithm, named Asynchronous Single-looP alternatIve gRadient projEction (ASPIRE) algorithm with the itErative Active SEt method (EASE) to tackle the distributed distributionally robust optimization (DDRO) problem. Furthermore, a new uncertainty set, i.e., constrained $D$-norm uncertainty set, is developed to effectively leverage the prior distribution and flexibly control the degree of robustness. Finally, our theoretical analysis elucidates that the proposed algorithm is guaranteed to converge and the iteration complexity is also analyzed. Extensive empirical studies on real-world datasets demonstrate that the proposed method can not only achieve fast convergence, remain robust against data heterogeneity and malicious attacks, but also tradeoff robustness with performance.
Yang Jiao, Kai Yang, Dongjin Song
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2,022
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High-dimensional Additive Gaussian Processes under Monotonicity Constraints
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We introduce an additive Gaussian process (GP) framework accounting for monotonicity constraints and scalable to high dimensions. Our contributions are threefold. First, we show that our framework enables to satisfy the constraints everywhere in the input space. We also show that more general componentwise linear inequality constraints can be handled similarly, such as componentwise convexity. Second, we propose the additive MaxMod algorithm for sequential dimension reduction. By sequentially maximizing a squared-norm criterion, MaxMod identifies the active input dimensions and refines the most important ones. This criterion can be computed explicitly at a linear cost. Finally, we provide open-source codes for our full framework. We demonstrate the performance and scalability of the methodology in several synthetic examples with hundreds of dimensions under monotonicity constraints as well as on a real-world flood application.
Andrés López-Lopera, Francois Bachoc, Olivier Roustant
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2,022
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Consistent Sufficient Explanations and Minimal Local Rules for explaining the decision of any classifier or regressor
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To explain the decision of any regression and classification model, we extend the notion of probabilistic sufficient explanations (P-SE). For each instance, this approach selects the minimal subset of features that is sufficient to yield the same prediction with high probability, while removing other features. The crux of P-SE is to compute the conditional probability of maintaining the same prediction. Therefore, we introduce an accurate and fast estimator of this probability via random Forests for any data $(\boldsymbol{X}, Y)$ and show its efficiency through a theoretical analysis of its consistency. As a consequence, we extend the P-SE to regression problems. In addition, we deal with non-discrete features, without learning the distribution of $\boldsymbol{X}$ nor having the model for making predictions. Finally, we introduce local rule-based explanations for regression/classification based on the P-SE and compare our approaches w.r.t other explainable AI methods. These methods are available as a Python Package.
Salim I. Amoukou, Nicolas Brunel
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2,022
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Spherical Channels for Modeling Atomic Interactions
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Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world’s most pressing problems, including those related to energy scarcity and climate change. These calculations are traditionally performed using Density Functional Theory, which is computationally very expensive. Machine learning has the potential to dramatically improve the efficiency of these calculations from days or hours to seconds.We propose the Spherical Channel Network (SCN) to model atomic energies and forces. The SCN is a graph neural network where nodes represent atoms and edges their neighboring atoms. The atom embeddings are a set of spherical functions, called spherical channels, represented using spherical harmonics. We demonstrate, that by rotating the embeddings based on the 3D edge orientation, more information may be utilized while maintaining the rotational equivariance of the messages. While equivariance is a desirable property, we find that by relaxing this constraint in both message passing and aggregation, improved accuracy may be achieved. We demonstrate state-of-the-art results on the large-scale Open Catalyst 2020 dataset in both energy and force prediction for numerous tasks and metrics.
Larry Zitnick, Abhishek Das, Adeesh Kolluru, Janice Lan, Muhammed Shuaibi, Anuroop Sriram, Zachary Ulissi, Brandon Wood
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2,022
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A Solver-free Framework for Scalable Learning in Neural ILP Architectures
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There is a recent focus on designing architectures that have an Integer Linear Programming (ILP) layer within a neural model (referred to as \emph{Neural ILP} in this paper). Neural ILP architectures are suitable for pure reasoning tasks that require data-driven constraint learning or for tasks requiring both perception (neural) and reasoning (ILP). A recent SOTA approach for end-to-end training of Neural ILP explicitly defines gradients through the ILP black box [Paulus et al. [2021]] – this trains extremely slowly, owing to a call to the underlying ILP solver for every training data point in a minibatch. In response, we present an alternative training strategy that is \emph{solver-free}, i.e., does not call the ILP solver at all at training time. Neural ILP has a set of trainable hyperplanes (for cost and constraints in ILP), together representing a polyhedron. Our key idea is that the training loss should impose that the final polyhedron separates the positives (all constraints satisfied) from the negatives (at least one violated constraint or a suboptimal cost value), via a soft-margin formulation. While positive example(s) are provided as part of the training data, we devise novel techniques for generating negative samples. Our solution is flexible enough to handle equality as well as inequality constraints. Experiments on several problems, both perceptual as well as symbolic, which require learning the constraints of an ILP, show that our approach has superior performance and scales much better compared to purely neural baselines and other state-of-the-art models that require solver-based training. In particular, we are able to obtain excellent performance in 9 x 9 symbolic and visual Sudoku, to which the other Neural ILP solver is not able to scale.
Yatin Nandwani, Rishabh Ranjan, - Mausam, Parag Singla
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2,022
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Improving 3D-aware Image Synthesis with A Geometry-aware Discriminator
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3D-aware image synthesis aims at learning a generative model that can render photo-realistic 2D images while capturing decent underlying 3D shapes. A popular solution is to adopt the generative adversarial network (GAN) and replace the generator with a 3D renderer, where volume rendering with neural radiance field (NeRF) is commonly used. Despite the advancement of synthesis quality, existing methods fail to obtain moderate 3D shapes. We argue that, considering the two-player game in the formulation of GANs, only making the generator 3D-aware is not enough. In other words, displacing the generative mechanism only offers the capability, but not the guarantee, of producing 3D-aware images, because the supervision of the generator primarily comes from the discriminator. To address this issue, we propose GeoD through learning a geometry-aware discriminator to improve 3D-aware GANs. Concretely, besides differentiating real and fake samples from the 2D image space, the discriminator is additionally asked to derive the geometry information from the inputs, which is then applied as the guidance of the generator. Such a simple yet effective design facilitates learning substantially more accurate 3D shapes. Extensive experiments on various generator architectures and training datasets verify the superiority of GeoD over state-of-the-art alternatives. Moreover, our approach is registered as a general framework such that a more capable discriminator (i.e., with a third task of novel view synthesis beyond domain classification and geometry extraction) can further assist the generator with a better multi-view consistency. Project page can be found at https://vivianszf.github.io/geod.
Zifan Shi, Yinghao Xu, Yujun Shen, Deli Zhao, Qifeng Chen, Dit-Yan Yeung
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2,022
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Non-Convex Bilevel Games with Critical Point Selection Maps
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Bilevel optimization problems involve two nested objectives, where an upper-level objective depends on a solution to a lower-level problem. When the latter is non-convex, multiple critical points may be present, leading to an ambiguous definition of the problem. In this paper, we introduce a key ingredient for resolving this ambiguity through the concept of a selection map which allows one to choose a particular solution to the lower-level problem. Using such maps, we define a class of hierarchical games between two agents that resolve the ambiguity in bilevel problems. This new class of games requires introducing new analytical tools in Morse theory to extend implicit differentiation, a technique used in bilevel optimization resulting from the implicit function theorem. In particular, we establish the validity of such a method even when the latter theorem is inapplicable due to degenerate critical points.Finally, we show that algorithms for solving bilevel problems based on unrolled optimization solve these games up to approximation errors due to finite computational power. A simple correction to these algorithms is then proposed for removing these errors.
Michael Arbel, Julien Mairal
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2,022
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