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A Compositional Atlas of Tractable Circuit Operations for Probabilistic Inference
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Circuit representations are becoming the lingua franca to express and reason about tractable generative and discriminative models. In this paper, we show how complex inference scenarios for these models that commonly arise in machine learning---from computing the expectations of decision tree ensembles to information-theoretic divergences of sum-product networks---can be represented in terms of tractable modular operations over circuits. Specifically, we characterize the tractability of simple transformations---sums, products, quotients, powers, logarithms, and exponentials---in terms of sufficient structural constraints of the circuits they operate on, and present novel hardness results for the cases in which these properties are not satisfied. Building on these operations, we derive a unified framework for reasoning about tractable models that generalizes several results in the literature and opens up novel tractable inference scenarios.
Antonio Vergari, YooJung Choi, Anji Liu, Stefano Teso, Guy Van den Broeck
null
null
2,021
neurips
Representing Long-Range Context for Graph Neural Networks with Global Attention
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Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs encounter optimization instabilities such as vanishing gradients and representation oversmoothing, while pooling-based approaches have yet to become as universally useful as in computer vision. In this work, we propose the use of Transformer-based self-attention to learn long-range pairwise relationships, with a novel “readout” mechanism to obtain a global graph embedding. Inspired by recent computer vision results that find position-invariant attention performant in learning long-range relationships, our method, which we call GraphTrans, applies a permutation-invariant Transformer module after a standard GNN module. This simple architecture leads to state-of-the-art results on several graph classification tasks, outperforming methods that explicitly encode graph structure. Our results suggest that purely-learning-based approaches without graph structure may be suitable for learning high-level, long-range relationships on graphs. Code for GraphTrans is available at https://github.com/ucbrise/graphtrans.
Zhanghao Wu, Paras Jain, Matthew Wright, Azalia Mirhoseini, Joseph E. Gonzalez, Ion Stoica
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null
2,021
neurips
Implicit Transformer Network for Screen Content Image Continuous Super-Resolution
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Nowadays, there is an explosive growth of screen contents due to the wide application of screen sharing, remote cooperation, and online education. To match the limited terminal bandwidth, high-resolution (HR) screen contents may be downsampled and compressed. At the receiver side, the super-resolution (SR)of low-resolution (LR) screen content images (SCIs) is highly demanded by the HR display or by the users to zoom in for detail observation. However, image SR methods mostly designed for natural images do not generalize well for SCIs due to the very different image characteristics as well as the requirement of SCI browsing at arbitrary scales. To this end, we propose a novel Implicit Transformer Super-Resolution Network (ITSRN) for SCISR. For high-quality continuous SR at arbitrary ratios, pixel values at query coordinates are inferred from image features at key coordinates by the proposed implicit transformer and an implicit position encoding scheme is proposed to aggregate similar neighboring pixel values to the query one. We construct benchmark SCI1K and SCI1K-compression datasets withLR and HR SCI pairs. Extensive experiments show that the proposed ITSRN significantly outperforms several competitive continuous and discrete SR methods for both compressed and uncompressed SCIs.
Jingyu Yang, Sheng Shen, Huanjing Yue, Kun Li
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null
2,021
neurips
Video Instance Segmentation using Inter-Frame Communication Transformers
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We propose a novel end-to-end solution for video instance segmentation (VIS) based on transformers. Recently, the per-clip pipeline shows superior performance over per-frame methods leveraging richer information from multiple frames. However, previous per-clip models require heavy computation and memory usage to achieve frame-to-frame communications, limiting practicality.In this work, we propose Inter-frame Communication Transformers (IFC), which significantly reduces the overhead for information-passing between frames by efficiently encoding the context within the input clip.Specifically, we propose to utilize concise memory tokens as a means of conveying information as well as summarizing each frame scene.The features of each frame are enriched and correlated with other frames through exchange of information between the precisely encoded memory tokens.We validate our method on the latest benchmark sets and achieved state-of-the-art performance (AP 42.6 on YouTube-VIS 2019 val set using the offline inference) while having a considerably fast runtime (89.4 FPS). Our method can also be applied to near-online inference for processing a video in real-time with only a small delay.The code is available at https://github.com/sukjunhwang/IFC
Sukjun Hwang, Miran Heo, Seoung Wug Oh, Seon Joo Kim
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2,021
neurips
Structured Reordering for Modeling Latent Alignments in Sequence Transduction
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Despite success in many domains, neural models struggle in settings where train and test examples are drawn from different distributions. In particular, in contrast to humans, conventional sequence-to-sequence (seq2seq) models fail to generalize systematically, i.e., interpret sentences representing novel combinations of concepts (e.g., text segments) seen in training. Traditional grammar formalisms excel in such settings by implicitly encoding alignments between input and output segments, but are hard to scale and maintain. Instead of engineering a grammar, we directly model segment-to-segment alignments as discrete structured latent variables within a neural seq2seq model. To efficiently explore the large space of alignments, we introduce a reorder-first align-later framework whose central component is a neural reordering module producing separable permutations. We present an efficient dynamic programming algorithm performing exact marginal inference of separable permutations, and, thus, enabling end-to-end differentiable training of our model. The resulting seq2seq model exhibits better systematic generalization than standard models on synthetic problems and NLP tasks (i.e., semantic parsing and machine translation).
bailin wang, Mirella Lapata, Ivan Titov
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2,021
neurips
Channel Permutations for N:M Sparsity
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We introduce channel permutations as a method to maximize the accuracy of N:M sparse networks. N:M sparsity requires N out of M consecutive elements to be zero and has been shown to maintain accuracy for many models and tasks with a simple prune and fine-tune workflow. By permuting weight matrices along their channel dimension and adjusting the surrounding layers appropriately, we demonstrate accuracy recovery for even small, parameter-efficient networks, without affecting inference run-time. We also present both a quality metric to simplify judging permutations as well as efficient methods to search for high-quality permutations, including two optimizations to escape local minima. Finally, we share an ablation study to show the importance of each part of our search algorithm, experimental results showing correlation between our quality metric and final network accuracy, improved sparse network accuracy using our techniques with insignificant overhead to training time, and the transformation of unstructured to structured sparse workloads. Code to use these techniques when generating a 2:4 sparse network is available at https://github.com/NVIDIA/apex/tree/master/apex/contrib/sparsity.
Jeff Pool, Chong Yu
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2,021
neurips
Progressive Coordinate Transforms for Monocular 3D Object Detection
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Recognizing and localizing objects in the 3D space is a crucial ability for an AI agent to perceive its surrounding environment. While significant progress has been achieved with expensive LiDAR point clouds, it poses a great challenge for 3D object detection given only a monocular image. While there exist different alternatives for tackling this problem, it is found that they are either equipped with heavy networks to fuse RGB and depth information or empirically ineffective to process millions of pseudo-LiDAR points. With in-depth examination, we realize that these limitations are rooted in inaccurate object localization. In this paper, we propose a novel and lightweight approach, dubbed {\em Progressive Coordinate Transforms} (PCT) to facilitate learning coordinate representations. Specifically, a localization boosting mechanism with confidence-aware loss is introduced to progressively refine the localization prediction. In addition, semantic image representation is also exploited to compensate for the usage of patch proposals. Despite being lightweight and simple, our strategy allows us to establish a new state-of-the-art among the monocular 3D detectors on the competitive KITTI benchmark. At the same time, our proposed PCT shows great generalization to most coordinate-based 3D detection frameworks.
Li Wang, Li Zhang, Yi Zhu, Zhi Zhang, Tong He, Mu Li, Xiangyang Xue
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null
2,021
neurips
A universal probabilistic spike count model reveals ongoing modulation of neural variability
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Neural responses are variable: even under identical experimental conditions, single neuron and population responses typically differ from trial to trial and across time. Recent work has demonstrated that this variability has predictable structure, can be modulated by sensory input and behaviour, and bears critical signatures of the underlying network dynamics and computations. However, current methods for characterising neural variability are primarily geared towards sensory coding in the laboratory: they require trials with repeatable experimental stimuli and behavioural covariates. In addition, they make strong assumptions about the parametric form of variability, rely on assumption-free but data-inefficient histogram-based approaches, or are altogether ill-suited for capturing variability modulation by covariates. Here we present a universal probabilistic spike count model that eliminates these shortcomings. Our method builds on sparse Gaussian processes and can model arbitrary spike count distributions (SCDs) with flexible dependence on observed as well as latent covariates, using scalable variational inference to jointly infer the covariate-to-SCD mappings and latent trajectories in a data efficient way. Without requiring repeatable trials, it can flexibly capture covariate-dependent joint SCDs, and provide interpretable latent causes underlying the statistical dependencies between neurons. We apply the model to recordings from a canonical non-sensory neural population: head direction cells in the mouse. We find that variability in these cells defies a simple parametric relationship with mean spike count as assumed in standard models, its modulation by external covariates can be comparably strong to that of the mean firing rate, and slow low-dimensional latent factors explain away neural correlations. Our approach paves the way to understanding the mechanisms and computations underlying neural variability under naturalistic conditions, beyond the realm of sensory coding with repeatable stimuli.
David Liu, Mate Lengyel
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2,021
neurips
Efficient Algorithms for Learning Depth-2 Neural Networks with General ReLU Activations
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We present polynomial time and sample efficient algorithms for learning an unknown depth-2 feedforward neural network with general ReLU activations, under mild non-degeneracy assumptions. In particular, we consider learning an unknown network of the form $f(x) = {a}^{\mathsf{T}}\sigma({W}^\mathsf{T}x+b)$, where $x$ is drawn from the Gaussian distribution, and $\sigma(t) = \max(t,0)$ is the ReLU activation. Prior works for learning networks with ReLU activations assume that the bias ($b$) is zero. In order to deal with the presence of the bias terms, our proposed algorithm consists of robustly decomposing multiple higher order tensors arising from the Hermite expansion of the function $f(x)$. Using these ideas we also establish identifiability of the network parameters under very mild assumptions.
Pranjal Awasthi, Alex Tang, Aravindan Vijayaraghavan
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null
2,021
neurips
Bellman Eluder Dimension: New Rich Classes of RL Problems, and Sample-Efficient Algorithms
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Finding the minimal structural assumptions that empower sample-efficient learning is one of the most important research directions in Reinforcement Learning (RL). This paper advances our understanding of this fundamental question by introducing a new complexity measure—Bellman Eluder (BE) dimension. We show that the family of RL problems of low BE dimension is remarkably rich, which subsumes a vast majority of existing tractable RL problems including but not limited to tabular MDPs, linear MDPs, reactive POMDPs, low Bellman rank problems as well as low Eluder dimension problems. This paper further designs a new optimization-based algorithm— GOLF, and reanalyzes a hypothesis elimination-based algorithm—OLIVE (proposed in Jiang et al. (2017)). We prove that both algorithms learn the near-optimal policies of low BE dimension problems in a number of samples that is polynomial in all relevant parameters, but independent of the size of state-action space. Our regret and sample complexity results match or improve the best existing results for several well-known subclasses of low BE dimension problems.
Chi Jin, Qinghua Liu, Sobhan Miryoosefi
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null
2,021
neurips
For high-dimensional hierarchical models, consider exchangeability of effects across covariates instead of across datasets
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Hierarchical Bayesian methods enable information sharing across regression problems on multiple groups of data. While standard practice is to model regression parameters (effects) as (1) exchangeable across the groups and (2) correlated to differing degrees across covariates, we show that this approach exhibits poor statistical performance when the number of covariates exceeds the number of groups. For instance, in statistical genetics, we might regress dozens of traits (defining groups) for thousands of individuals (responses) on up to millions of genetic variants (covariates). When an analyst has more covariates than groups, we argue that it is often preferable to instead model effects as (1) exchangeable across covariates and (2) correlated to differing degrees across groups. To this end, we propose a hierarchical model expressing our alternative perspective. We devise an empirical Bayes estimator for learning the degree of correlation between groups. We develop theory that demonstrates that our method outperforms the classic approach when the number of covariates dominates the number of groups, and corroborate this result empirically on several high-dimensional multiple regression and classification problems.
Brian Trippe, Hilary Finucane, Tamara Broderick
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2,021
neurips
Reverse-Complement Equivariant Networks for DNA Sequences
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As DNA sequencing technologies keep improving in scale and cost, there is a growing need to develop machine learning models to analyze DNA sequences, e.g., to decipher regulatory signals from DNA fragments bound by a particular protein of interest. As a double helix made of two complementary strands, a DNA fragment can be sequenced as two equivalent, so-called reverse complement (RC) sequences of nucleotides. To take into account this inherent symmetry of the data in machine learning models can facilitate learning. In this sense, several authors have recently proposed particular RC-equivariant convolutional neural networks (CNNs). However, it remains unknown whether other RC-equivariant architecture exist, which could potentially increase the set of basic models adapted to DNA sequences for practitioners. Here, we close this gap by characterizing the set of all linear RC-equivariant layers, and show in particular that new architectures exist beyond the ones already explored. We further discuss RC-equivariant pointwise nonlinearities adapted to different architectures, as well as RC-equivariant embeddings of $k$-mers as an alternative to one-hot encoding of nucleotides. We show experimentally that the new architectures can outperform existing ones.
Vincent Mallet, Jean-Philippe Vert
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2,021
neurips
Provably Efficient Reinforcement Learning with Linear Function Approximation under Adaptivity Constraints
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We study reinforcement learning (RL) with linear function approximation under the adaptivity constraint. We consider two popular limited adaptivity models: the batch learning model and the rare policy switch model, and propose two efficient online RL algorithms for episodic linear Markov decision processes, where the transition probability and the reward function can be represented as a linear function of some known feature mapping. In specific, for the batch learning model, our proposed LSVI-UCB-Batch algorithm achieves an $\tilde O(\sqrt{d^3H^3T} + dHT/B)$ regret, where $d$ is the dimension of the feature mapping, $H$ is the episode length, $T$ is the number of interactions and $B$ is the number of batches. Our result suggests that it suffices to use only $\sqrt{T/dH}$ batches to obtain $\tilde O(\sqrt{d^3H^3T})$ regret. For the rare policy switch model, our proposed LSVI-UCB-RareSwitch algorithm enjoys an $\tilde O(\sqrt{d^3H^3T[1+T/(dH)]^{dH/B}})$ regret, which implies that $dH\log T$ policy switches suffice to obtain the $\tilde O(\sqrt{d^3H^3T})$ regret. Our algorithms achieve the same regret as the LSVI-UCB algorithm \citep{jin2020provably}, yet with a substantially smaller amount of adaptivity. We also establish a lower bound for the batch learning model, which suggests that the dependency on $B$ in our regret bound is tight.
Tianhao Wang, Dongruo Zhou, Quanquan Gu
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2,021
neurips
Controllable and Compositional Generation with Latent-Space Energy-Based Models
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Controllable generation is one of the key requirements for successful adoption of deep generative models in real-world applications, but it still remains as a great challenge. In particular, the compositional ability to generate novel concept combinations is out of reach for most current models. In this work, we use energy-based models (EBMs) to handle compositional generation over a set of attributes. To make them scalable to high-resolution image generation, we introduce an EBM in the latent space of a pre-trained generative model such as StyleGAN. We propose a novel EBM formulation representing the joint distribution of data and attributes together, and we show how sampling from it is formulated as solving an ordinary differential equation (ODE). Given a pre-trained generator, all we need for controllable generation is to train an attribute classifier. Sampling with ODEs is done efficiently in the latent space and is robust to hyperparameters. Thus, our method is simple, fast to train, and efficient to sample. Experimental results show that our method outperforms the state-of-the-art in both conditional sampling and sequential editing. In compositional generation, our method excels at zero-shot generation of unseen attribute combinations. Also, by composing energy functions with logical operators, this work is the first to achieve such compositionality in generating photo-realistic images of resolution 1024x1024.
Weili Nie, Arash Vahdat, Anima Anandkumar
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2,021
neurips
Self-Supervised Multi-Object Tracking with Cross-input Consistency
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In this paper, we propose a self-supervised learning procedure for training a robust multi-object tracking (MOT) model given only unlabeled video. While several self-supervisory learning signals have been proposed in prior work on single-object tracking, such as color propagation and cycle-consistency, these signals are not effective for training RNN models, which are needed to achieve accurate MOT: they yield degenerate models that, for instance, always match new detections to tracks with the closest initial detections. We propose a novel self-supervisory signal that we call cross-input consistency: we construct two distinct inputs for the same sequence of video, by hiding different information about the sequence in each input. We then compute tracks in that sequence by applying an RNN model independently on each input, and train the model to produce consistent tracks across the two inputs. We evaluate our unsupervised method on MOT17 and KITTI --- remarkably, we find that, despite training only on unlabeled video, our unsupervised approach outperforms four supervised methods published in the last 1--2 years, including Tracktor++, FAMNet, GSM, and mmMOT.
Favyen Bastani, Songtao He, Samuel Madden
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2,021
neurips
Statistical Undecidability in Linear, Non-Gaussian Causal Models in the Presence of Latent Confounders
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If causal relationships are linear and acyclic and noise terms are independent and Gaussian, causal orientation is not identified from observational data --- even if faithfulness is satisfied (Spirtes et al., 2002). Shimizu et al. (2006) showed that acyclic, linear, {\bf non}-Gaussian (LiNGAM) causal models {\em are} identified from observational data, so long as no latent confounders are present. That holds even when faithfulness fails. Genin and Mayo-Wilson (2020) refine that result: not only are causal relationships identified, but causal orientation is {\em statistically decidable}. That means that for every $\epsilon>0,$ there is a method that converges in probability to the correct orientation and, at every sample size, outputs an incorrect orientation with probability less than $\epsilon.$ These results naturally raise questions about what happens in the presence of latent confounders. Hoyer et al. (2008) and Salehkaleybar et al. (2020) show that, although the causal model is not uniquely identified, causal orientation among observed variables is identified in the presence of latent confounders, so long as faithfulness is satisfied. This paper refines these results: although it is possible to converge to the right orientation in the limit, causal orientation is no longer statistically decidable---it is not possible to converge to the correct orientation with finite-sample bounds on the probability of orientation errors, even if faithfulness is satisfied. However, that limiting result suggests several adjustments to the LiNGAM model that may recover decidability.
Konstantin Genin
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2,021
neurips
Neo-GNNs: Neighborhood Overlap-aware Graph Neural Networks for Link Prediction
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Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and graph classification. However, since GNNs heavily rely on smoothed node features rather than graph structure, they often show poor performance than simple heuristic methods in link prediction where the structural information, e.g., overlapped neighborhoods, degrees, and shortest paths, is crucial. To address this limitation, we propose Neighborhood Overlap-aware Graph Neural Networks (Neo-GNNs) that learn useful structural features from an adjacency matrix and estimate overlapped neighborhoods for link prediction. Our Neo-GNNs generalize neighborhood overlap-based heuristic methods and handle overlapped multi-hop neighborhoods. Our extensive experiments on Open Graph Benchmark datasets (OGB) demonstrate that Neo-GNNs consistently achieve state-of-the-art performance in link prediction.
Seongjun Yun, Seoyoon Kim, Junhyun Lee, Jaewoo Kang, Hyunwoo J. Kim
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null
2,021
neurips
Nonsmooth Implicit Differentiation for Machine-Learning and Optimization
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In view of training increasingly complex learning architectures, we establish a nonsmooth implicit function theorem with an operational calculus. Our result applies to most practical problems (i.e., definable problems) provided that a nonsmooth form of the classical invertibility condition is fulfilled. This approach allows for formal subdifferentiation: for instance, replacing derivatives by Clarke Jacobians in the usual differentiation formulas is fully justified for a wide class of nonsmooth problems. Moreover this calculus is entirely compatible with algorithmic differentiation (e.g., backpropagation). We provide several applications such as training deep equilibrium networks, training neural nets with conic optimization layers, or hyperparameter-tuning for nonsmooth Lasso-type models. To show the sharpness of our assumptions, we present numerical experiments showcasing the extremely pathological gradient dynamics one can encounter when applying implicit algorithmic differentiation without any hypothesis.
Jérôme Bolte, Tam Le, Edouard Pauwels, Tony Silveti-Falls
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null
2,021
neurips
Provable Benefits of Actor-Critic Methods for Offline Reinforcement Learning
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Actor-critic methods are widely used in offline reinforcement learningpractice, but are not so well-understood theoretically. We propose a newoffline actor-critic algorithm that naturally incorporates the pessimism principle, leading to several key advantages compared to the state of the art. The algorithm can operate when the Bellman evaluation operator is closed with respect to the action value function of the actor's policies; this is a more general setting than the low-rank MDP model. Despite the added generality, the procedure is computationally tractable as it involves the solution of a sequence of second-order programs.We prove an upper bound on the suboptimality gap of the policy returned by the procedure that depends on the data coverage of any arbitrary, possibly data dependent comparator policy.The achievable guarantee is complemented with a minimax lower bound that is matching up to logarithmic factors.
Andrea Zanette, Martin J Wainwright, Emma Brunskill
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null
2,021
neurips
A novel notion of barycenter for probability distributions based on optimal weak mass transport
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We introduce weak barycenters of a family of probability distributions, based on the recently developed notion of optimal weak transport of mass by Gozlan et al. (2017) and Backhoff-Veraguas et al. (2020). We provide a theoretical analysis of this object and discuss its interpretation in the light of convex ordering between probability measures. In particular, we show that, rather than averaging the input distributions in a geometric way (as the Wasserstein barycenter based on classic optimal transport does) weak barycenters extract common geometric information shared by all the input distributions, encoded as a latent random variable that underlies all of them. We also provide an iterative algorithm to compute a weak barycenter for a finite family of input distributions, and a stochastic algorithm that computes them for arbitrary populations of laws. The latter approach is particularly well suited for the streaming setting, i.e., when distributions are observed sequentially. The notion of weak barycenter and our approaches to compute it are illustrated on synthetic examples, validated on 2D real-world data and compared to standard Wasserstein barycenters.
Elsa Cazelles, Felipe Tobar, Joaquin Fontbona
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null
2,021
neurips
Neural Routing by Memory
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Recent Convolutional Neural Networks (CNNs) have achieved significant success by stacking multiple convolutional blocks, named procedures in this paper, to extract semantic features. However, they use the same procedure sequence for all inputs, regardless of the intermediate features.This paper proffers a simple yet effective idea of constructing parallel procedures and assigning similar intermediate features to the same specialized procedures in a divide-and-conquer fashion. It relieves each procedure's learning difficulty and thus leads to superior performance. Specifically, we propose a routing-by-memory mechanism for existing CNN architectures. In each stage of the network, we introduce parallel Procedural Units (PUs). A PU consists of a memory head and a procedure. The memory head maintains a summary of a type of features. For an intermediate feature, we search its closest memory and forward it to the corresponding procedure in both training and testing. In this way, different procedures are tailored to different features and therefore tackle them better.Networks with the proposed mechanism can be trained efficiently using a four-step training strategy. Experimental results show that our method improves VGGNet, ResNet, and EfficientNet's accuracies on Tiny ImageNet, ImageNet, and CIFAR-100 benchmarks with a negligible extra computational cost.
Kaipeng Zhang, Zhenqiang Li, Zhifeng Li, Wei Liu, Yoichi Sato
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null
2,021
neurips
A Continuous Mapping For Augmentation Design
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Automated data augmentation (ADA) techniques have played an important role in boosting the performance of deep models. Such techniques mostly aim to optimize a parameterized distribution over a discrete augmentation space. Thus, are restricted by the discretization of the search space which normally is handcrafted. To overcome the limitations, we take the first step to constructing a continuous mapping from $\mathbb{R}^d$ to image transformations (an augmentation space). Using this mapping, we take a novel approach where 1) we pose the ADA as a continuous optimization problem over the parameters of the augmentation distribution; and 2) use Stochastic Gradient Langevin Dynamics to learn and sample augmentations. This allows us to potentially explore the space of infinitely many possible augmentations, which otherwise was not possible due to the discretization of the space. This view of ADA is radically different from the standard discretization based view of ADA, and it opens avenues for utilizing the vast efficient gradient-based algorithms available for continuous optimization problems. Results over multiple benchmarks demonstrate the efficiency improvement of this work compared with previous methods.
Keyu Tian, Chen Lin, Ser Nam Lim, Wanli Ouyang, Puneet Dokania, Philip Torr
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2,021
neurips
CANITA: Faster Rates for Distributed Convex Optimization with Communication Compression
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Due to the high communication cost in distributed and federated learning, methods relying on compressed communication are becoming increasingly popular. Besides, the best theoretically and practically performing gradient-type methods invariably rely on some form of acceleration/momentum to reduce the number of communications (faster convergence), e.g., Nesterov's accelerated gradient descent [31, 32] and Adam [14]. In order to combine the benefits of communication compression and convergence acceleration, we propose a \emph{compressed and accelerated} gradient method based on ANITA [20] for distributed optimization, which we call CANITA. Our CANITA achieves the \emph{first accelerated rate} $O\bigg(\sqrt{\Big(1+\sqrt{\frac{\omega^3}{n}}\Big)\frac{L}{\epsilon}} + \omega\big(\frac{1}{\epsilon}\big)^{\frac{1}{3}}\bigg)$, which improves upon the state-of-the-art non-accelerated rate $O\left((1+\frac{\omega}{n})\frac{L}{\epsilon} + \frac{\omega^2+\omega}{\omega+n}\frac{1}{\epsilon}\right)$ of DIANA [12] for distributed general convex problems, where $\epsilon$ is the target error, $L$ is the smooth parameter of the objective, $n$ is the number of machines/devices, and $\omega$ is the compression parameter (larger $\omega$ means more compression can be applied, and no compression implies $\omega=0$). Our results show that as long as the number of devices $n$ is large (often true in distributed/federated learning), or the compression $\omega$ is not very high, CANITA achieves the faster convergence rate $O\Big(\sqrt{\frac{L}{\epsilon}}\Big)$, i.e., the number of communication rounds is $O\Big(\sqrt{\frac{L}{\epsilon}}\Big)$ (vs. $O\big(\frac{L}{\epsilon}\big)$ achieved by previous works). As a result, CANITA enjoys the advantages of both compression (compressed communication in each round) and acceleration (much fewer communication rounds).
Zhize Li, Peter Richtarik
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2,021
neurips
Safe Reinforcement Learning by Imagining the Near Future
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Safe reinforcement learning is a promising path toward applying reinforcement learning algorithms to real-world problems, where suboptimal behaviors may lead to actual negative consequences. In this work, we focus on the setting where unsafe states can be avoided by planning ahead a short time into the future. In this setting, a model-based agent with a sufficiently accurate model can avoid unsafe states.We devise a model-based algorithm that heavily penalizes unsafe trajectories, and derive guarantees that our algorithm can avoid unsafe states under certain assumptions. Experiments demonstrate that our algorithm can achieve competitive rewards with fewer safety violations in several continuous control tasks.
Garrett Thomas, Yuping Luo, Tengyu Ma
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null
2,021
neurips
Compositional Modeling of Nonlinear Dynamical Systems with ODE-based Random Features
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Effectively modeling phenomena present in highly nonlinear dynamical systems whilst also accurately quantifying uncertainty is a challenging task, which often requires problem-specific techniques. We present a novel, domain-agnostic approach to tackling this problem, using compositions of physics-informed random features, derived from ordinary differential equations. The architecture of our model leverages recent advances in approximate inference for deep Gaussian processes, such as layer-wise weight-space approximations which allow us to incorporate random Fourier features, and stochastic variational inference for approximate Bayesian inference. We provide evidence that our model is capable of capturing highly nonlinear behaviour in real-world multivariate time series data. In addition, we find that our approach achieves comparable performance to a number of other probabilistic models on benchmark regression tasks.
Thomas McDonald, Mauricio Álvarez
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2,021
neurips
Drop-DTW: Aligning Common Signal Between Sequences While Dropping Outliers
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In this work, we consider the problem of sequence-to-sequence alignment for signals containing outliers. Assuming the absence of outliers, the standard Dynamic Time Warping (DTW) algorithm efficiently computes the optimal alignment between two (generally) variable-length sequences. While DTW is robust to temporal shifts and dilations of the signal, it fails to align sequences in a meaningful way in the presence of outliers that can be arbitrarily interspersed in the sequences. To address this problem, we introduce Drop-DTW, a novel algorithm that aligns the common signal between the sequences while automatically dropping the outlier elements from the matching. The entire procedure is implemented as a single dynamic program that is efficient and fully differentiable. In our experiments, we show that Drop-DTW is a robust similarity measure for sequence retrieval and demonstrate its effectiveness as a training loss on diverse applications. With Drop-DTW, we address temporal step localization on instructional videos, representation learning from noisy videos, and cross-modal representation learning for audio-visual retrieval and localization. In all applications, we take a weakly- or unsupervised approach and demonstrate state-of-the-art results under these settings.
Mikita Dvornik, Isma Hadji, Konstantinos G. Derpanis, Animesh Garg, Allan Jepson
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2,021
neurips
GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles
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Prediction of a molecule’s 3D conformer ensemble from the molecular graph holds a key role in areas of cheminformatics and drug discovery. Existing generative models have several drawbacks including lack of modeling important molecular geometry elements (e.g., torsion angles), separate optimization stages prone to error accumulation, and the need for structure fine-tuning based on approximate classical force-fields or computationally expensive methods. We propose GEOMOL --- an end-to-end, non-autoregressive, and SE(3)-invariant machine learning approach to generate distributions of low-energy molecular 3D conformers. Leveraging the power of message passing neural networks (MPNNs) to capture local and global graph information, we predict local atomic 3D structures and torsion angles, avoid- ing unnecessary over-parameterization of the geometric degrees of freedom (e.g., one angle per non-terminal bond). Such local predictions suffice both for both the training loss computation and for the full deterministic conformer assembly (at test time). We devise a non-adversarial optimal transport based loss function to promote diverse conformer generation. GEOMOL predominantly outperforms popular open-source, commercial, or state-of-the-art machine learning (ML) models, while achieving significant speed-ups. We expect such differentiable 3D structure generators to significantly impact molecular modeling and related applications.
Octavian Ganea, Lagnajit Pattanaik, Connor Coley, Regina Barzilay, Klavs Jensen, William Green, Tommi Jaakkola
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2,021
neurips
ToAlign: Task-Oriented Alignment for Unsupervised Domain Adaptation
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Unsupervised domain adaptive classifcation intends to improve the classifcation performance on unlabeled target domain. To alleviate the adverse effect of domain shift, many approaches align the source and target domains in the feature space. However, a feature is usually taken as a whole for alignment without explicitly making domain alignment proactively serve the classifcation task, leading to sub-optimal solution. In this paper, we propose an effective Task-oriented Alignment (ToAlign) for unsupervised domain adaptation (UDA). We study what features should be aligned across domains and propose to make the domain alignment proactively serve classifcation by performing feature decomposition and alignment under the guidance of the prior knowledge induced from the classifcation task itself. Particularly, we explicitly decompose a feature in the source domain into a task-related/discriminative feature that should be aligned, and a task-irrelevant feature that should be avoided/ignored, based on the classifcation meta-knowledge. Extensive experimental results on various benchmarks (e.g., Offce-Home, Visda-2017, and DomainNet) under different domain adaptation settings demonstrate the effectiveness of ToAlign which helps achieve the state-of-the-art performance. The code is publicly available at https://github.com/microsoft/UDA.
Guoqiang Wei, Cuiling Lan, Wenjun Zeng, Zhizheng Zhang, Zhibo Chen
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2,021
neurips
Implicit Semantic Response Alignment for Partial Domain Adaptation
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Partial Domain Adaptation (PDA) addresses the unsupervised domain adaptation problem where the target label space is a subset of the source label space. Most state-of-art PDA methods tackle the inconsistent label space by assigning weights to classes or individual samples, in an attempt to discard the source data that belongs to the irrelevant classes. However, we believe samples from those extra categories would still contain valuable information to promote positive transfer. In this paper, we propose the Implicit Semantic Response Alignment to explore the intrinsic relationships among different categories by applying a weighted schema on the feature level. Specifically, we design a class2vec module to extract the implicit semantic topics from the visual features. With an attention layer, we calculate the semantic response according to each implicit semantic topic. Then semantic responses of source and target data are aligned to retain the relevant information contained in multiple categories by weighting the features, instead of samples. Experiments on several cross-domain benchmark datasets demonstrate the effectiveness of our method over the state-of-the-art PDA methods. Moreover, we elaborate in-depth analyses to further explore implicit semantic alignment.
Wenxiao Xiao, Zhengming Ding, Hongfu Liu
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2,021
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Prior-independent Dynamic Auctions for a Value-maximizing Buyer
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We study prior-independent dynamic auction design with production costs for a value-maximizing buyer, a paradigm that is becoming prevalent recently following the development of automatic bidding algorithms in advertising platforms. In contrast to a utility-maximizing buyer, who maximizes the difference between her total value and total payment, a value-maximizing buyer aims to maximize her total value subject to a return on investment (ROI) constraint. Our main result is a dynamic mechanism with regret $\tilde{O}(T^{2/3})$, where $T$ is the time horizon, against the first-best benchmark, i.e., the maximum amount of revenue the seller can extract assuming all values of the buyer are publicly known.
Yuan Deng, Hanrui Zhang
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2,021
neurips
Learning Transferable Adversarial Perturbations
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While effective, deep neural networks (DNNs) are vulnerable to adversarial attacks. In particular, recent work has shown that such attacks could be generated by another deep network, leading to significant speedups over optimization-based perturbations. However, the ability of such generative methods to generalize to different test-time situations has not been systematically studied. In this paper, we, therefore, investigate the transferability of generated perturbations when the conditions at inference time differ from the training ones in terms of the target architecture, target data, and target task. Specifically, we identify the mid-level features extracted by the intermediate layers of DNNs as common ground across different architectures, datasets, and tasks. This lets us introduce a loss function based on such mid-level features to learn an effective, transferable perturbation generator. Our experiments demonstrate that our approach outperforms the state-of-the-art universal and transferable attack strategies.
Krishna kanth Nakka, Mathieu Salzmann
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2,021
neurips
Dimension-free empirical entropy estimation
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We seek an entropy estimator for discrete distributions with fully empirical accuracy bounds. As stated, this goal is infeasible without some prior assumptions on the distribution. We discover that a certain information moment assumption renders the problem feasible. We argue that the moment assumption is natural and, in some sense, {\em minimalistic} --- weaker than finite support or tail decay conditions. Under the moment assumption, we provide the first finite-sample entropy estimates for infinite alphabets, nearly recovering the known minimax rates. Moreover, we demonstrate that our empirical bounds are significantly sharper than the state-of-the-art bounds, for various natural distributions and non-trivial sample regimes. Along the way, we give a dimension-free analogue of the Cover-Thomas result on entropy continuity (with respect to total variation distance) for finite alphabets, which may be of independent interest.
Doron Cohen, Aryeh Kontorovich, Aaron Koolyk, Geoffrey Wolfer
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2,021
neurips
Overparameterization Improves Robustness to Covariate Shift in High Dimensions
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A significant obstacle in the development of robust machine learning models is \emph{covariate shift}, a form of distribution shift that occurs when the input distributions of the training and test sets differ while the conditional label distributions remain the same. Despite the prevalence of covariate shift in real-world applications, a theoretical understanding in the context of modern machine learning has remained lacking. In this work, we examine the exact high-dimensional asymptotics of random feature regression under covariate shift and present a precise characterization of the limiting test error, bias, and variance in this setting. Our results motivate a natural partial order over covariate shifts that provides a sufficient condition for determining when the shift will harm (or even help) test performance. We find that overparameterized models exhibit enhanced robustness to covariate shift, providing one of the first theoretical explanations for this ubiquitous empirical phenomenon. Additionally, our analysis reveals an exact linear relationship between the in-distribution and out-of-distribution generalization performance, offering an explanation for this surprising recent observation.
Nilesh Tripuraneni, Ben Adlam, Jeffrey Pennington
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2,021
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DynamicViT: Efficient Vision Transformers with Dynamic Token Sparsification
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Attention is sparse in vision transformers. We observe the final prediction in vision transformers is only based on a subset of most informative tokens, which is sufficient for accurate image recognition. Based on this observation, we propose a dynamic token sparsification framework to prune redundant tokens progressively and dynamically based on the input. Specifically, we devise a lightweight prediction module to estimate the importance score of each token given the current features. The module is added to different layers to prune redundant tokens hierarchically. To optimize the prediction module in an end-to-end manner, we propose an attention masking strategy to differentiably prune a token by blocking its interactions with other tokens. Benefiting from the nature of self-attention, the unstructured sparse tokens are still hardware friendly, which makes our framework easy to achieve actual speed-up. By hierarchically pruning 66% of the input tokens, our method greatly reduces 31% $\sim$ 37% FLOPs and improves the throughput by over 40% while the drop of accuracy is within 0.5% for various vision transformers. Equipped with the dynamic token sparsification framework, DynamicViT models can achieve very competitive complexity/accuracy trade-offs compared to state-of-the-art CNNs and vision transformers on ImageNet. Code is available at https://github.com/raoyongming/DynamicViT
Yongming Rao, Wenliang Zhao, Benlin Liu, Jiwen Lu, Jie Zhou, Cho-Jui Hsieh
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2,021
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PortaSpeech: Portable and High-Quality Generative Text-to-Speech
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Non-autoregressive text-to-speech (NAR-TTS) models such as FastSpeech 2 and Glow-TTS can synthesize high-quality speech from the given text in parallel. After analyzing two kinds of generative NAR-TTS models (VAE and normalizing flow), we find that: VAE is good at capturing the long-range semantics features (e.g., prosody) even with small model size but suffers from blurry and unnatural results; and normalizing flow is good at reconstructing the frequency bin-wise details but performs poorly when the number of model parameters is limited. Inspired by these observations, to generate diverse speech with natural details and rich prosody using a lightweight architecture, we propose PortaSpeech, a portable and high-quality generative text-to-speech model. Specifically, 1) to model both the prosody and mel-spectrogram details accurately, we adopt a lightweight VAE with an enhanced prior followed by a flow-based post-net with strong conditional inputs as the main architecture. 2) To further compress the model size and memory footprint, we introduce the grouped parameter sharing mechanism to the affine coupling layers in the post-net. 3) To improve the expressiveness of synthesized speech and reduce the dependency on accurate fine-grained alignment between text and speech, we propose a linguistic encoder with mixture alignment combining hard word-level alignment and soft phoneme-level alignment, which explicitly extracts word-level semantic information. Experimental results show that PortaSpeech outperforms other TTS models in both voice quality and prosody modeling in terms of subjective and objective evaluation metrics, and shows only a slight performance degradation when reducing the model parameters to 6.7M (about 4x model size and 3x runtime memory compression ratio compared with FastSpeech 2). Our extensive ablation studies demonstrate that each design in PortaSpeech is effective.
Yi Ren, Jinglin Liu, Zhou Zhao
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2,021
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CLIP-It! Language-Guided Video Summarization
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A generic video summary is an abridged version of a video that conveys the whole story and features the most important scenes. Yet the importance of scenes in a video is often subjective, and users should have the option of customizing the summary by using natural language to specify what is important to them. Further, existing models for fully automatic generic summarization have not exploited available language models, which can serve as an effective prior for saliency. This work introduces CLIP-It, a single framework for addressing both generic and query-focused video summarization, typically approached separately in the literature. We propose a language-guided multimodal transformer that learns to score frames in a video based on their importance relative to one another and their correlation with a user-defined query (for query-focused summarization) or an automatically generated dense video caption (for generic video summarization). Our model can be extended to the unsupervised setting by training without ground-truth supervision. We outperform baselines and prior work by a significant margin on both standard video summarization datasets (TVSum and SumMe) and a query-focused video summarization dataset (QFVS). Particularly, we achieve large improvements in the transfer setting, attesting to our method's strong generalization capabilities.
Medhini Narasimhan, Anna Rohrbach, Trevor Darrell
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2,021
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CCVS: Context-aware Controllable Video Synthesis
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This presentation introduces a self-supervised learning approach to the synthesis of new videos clips from old ones, with several new key elements for improved spatial resolution and realism: It conditions the synthesis process on contextual information for temporal continuity and ancillary information for fine control. The prediction model is doubly autoregressive, in the latent space of an autoencoder for forecasting, and in image space for updating contextual information, which is also used to enforce spatio-temporal consistency through a learnable optical flow module. Adversarial training of the autoencoder in the appearance and temporal domains is used to further improve the realism of its output. A quantizer inserted between the encoder and the transformer in charge of forecasting future frames in latent space (and its inverse inserted between the transformer and the decoder) adds even more flexibility by affording simple mechanisms for handling multimodal ancillary information for controlling the synthesis process (e.g., a few sample frames, an audio track, a trajectory in image space) and taking into account the intrinsically uncertain nature of the future by allowing multiple predictions. Experiments with an implementation of the proposed approach give very good qualitative and quantitative results on multiple tasks and standard benchmarks.
Guillaume Le Moing, Jean Ponce, Cordelia Schmid
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2,021
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From Optimality to Robustness: Adaptive Re-Sampling Strategies in Stochastic Bandits
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The stochastic multi-arm bandit problem has been extensively studied under standard assumptions on the arm's distribution (e.g bounded with known support, exponential family, etc). These assumptions are suitable for many real-world problems but sometimes they require knowledge (on tails for instance) that may not be precisely accessible to the practitioner, raising the question of the robustness of bandit algorithms to model misspecification. In this paper we study a generic \emph{Dirichlet Sampling} (DS) algorithm, based on pairwise comparisons of empirical indices computed with \textit{re-sampling} of the arms' observations and a data-dependent \textit{exploration bonus}. We show that different variants of this strategy achieve provably optimal regret guarantees when the distributions are bounded and logarithmic regret for semi-bounded distributions with a mild quantile condition. We also show that a simple tuning achieve robustness with respect to a large class of unbounded distributions, at the cost of slightly worse than logarithmic asymptotic regret. We finally provide numerical experiments showing the merits of DS in a decision-making problem on synthetic agriculture data.
Dorian Baudry, Patrick Saux, Odalric-Ambrym Maillard
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2,021
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A sampling-based circuit for optimal decision making
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Many features of human and animal behavior can be understood in the framework of Bayesian inference and optimal decision making, but the biological substrate of such processes is not fully understood. Neural sampling provides a flexible code for probabilistic inference in high dimensions and explains key features of sensory responses under experimental manipulations of uncertainty. However, since it encodes uncertainty implicitly, across time and neurons, it remains unclear how such representations can be used for decision making. Here we propose a spiking network model that maps neural samples of a task-specific marginal distribution into an instantaneous representation of uncertainty via a procedure inspired by online kernel density estimation, so that its output can be readily used for decision making. Our model is consistent with experimental results at the level of single neurons and populations, and makes predictions for how neural responses and decisions could be modulated by uncertainty and prior biases. More generally, our work brings together conflicting perspectives on probabilistic brain computation.
Camille Rullán Buxó, Cristina Savin
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2,021
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BernNet: Learning Arbitrary Graph Spectral Filters via Bernstein Approximation
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Many representative graph neural networks, $e.g.$, GPR-GNN and ChebNet, approximate graph convolutions with graph spectral filters. However, existing work either applies predefined filter weights or learns them without necessary constraints, which may lead to oversimplified or ill-posed filters. To overcome these issues, we propose $\textit{BernNet}$, a novel graph neural network with theoretical support that provides a simple but effective scheme for designing and learning arbitrary graph spectral filters. In particular, for any filter over the normalized Laplacian spectrum of a graph, our BernNet estimates it by an order-$K$ Bernstein polynomial approximation and designs its spectral property by setting the coefficients of the Bernstein basis. Moreover, we can learn the coefficients (and the corresponding filter weights) based on observed graphs and their associated signals and thus achieve the BernNet specialized for the data. Our experiments demonstrate that BernNet can learn arbitrary spectral filters, including complicated band-rejection and comb filters, and it achieves superior performance in real-world graph modeling tasks. Code is available at https://github.com/ivam-he/BernNet.
Mingguo He, Zhewei Wei, zengfeng Huang, Hongteng Xu
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2,021
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Generalized DataWeighting via Class-Level Gradient Manipulation
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Label noise and class imbalance are two major issues coexisting in real-world datasets. To alleviate the two issues, state-of-the-art methods reweight each instance by leveraging a small amount of clean and unbiased data. Yet, these methods overlook class-level information within each instance, which can be further utilized to improve performance. To this end, in this paper, we propose Generalized Data Weighting (GDW) to simultaneously mitigate label noise and class imbalance by manipulating gradients at the class level. To be specific, GDW unrolls the loss gradient to class-level gradients by the chain rule and reweights the flow of each gradient separately. In this way, GDW achieves remarkable performance improvement on both issues. Aside from the performance gain, GDW efficiently obtains class-level weights without introducing any extra computational cost compared with instance weighting methods. Specifically, GDW performs a gradient descent step on class-level weights, which only relies on intermediate gradients. Extensive experiments in various settings verify the effectiveness of GDW. For example, GDW outperforms state-of-the-art methods by $2.56\%$ under the $60\%$ uniform noise setting in CIFAR10. Our code is available at https://github.com/GGchen1997/GDW-NIPS2021.
Can Chen, Shuhao Zheng, Xi Chen, Erqun Dong, Xue (Steve) Liu, Hao Liu, Dejing Dou
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2,021
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Predify: Augmenting deep neural networks with brain-inspired predictive coding dynamics
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Deep neural networks excel at image classification, but their performance is far less robust to input perturbations than human perception. In this work we explore whether this shortcoming may be partly addressed by incorporating brain-inspired recurrent dynamics in deep convolutional networks. We take inspiration from a popular framework in neuroscience: "predictive coding". At each layer of the hierarchical model, generative feedback "predicts" (i.e., reconstructs) the pattern of activity in the previous layer. The reconstruction errors are used to iteratively update the network’s representations across timesteps, and to optimize the network's feedback weights over the natural image dataset--a form of unsupervised training. We show that implementing this strategy into two popular networks, VGG16 and EfficientNetB0, improves their robustness against various corruptions and adversarial attacks. We hypothesize that other feedforward networks could similarly benefit from the proposed framework. To promote research in this direction, we provide an open-sourced PyTorch-based package called \textit{Predify}, which can be used to implement and investigate the impacts of the predictive coding dynamics in any convolutional neural network.
Bhavin Choksi, Milad Mozafari, Callum Biggs O'May, B. ADOR, Andrea Alamia, Rufin VanRullen
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2,021
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Attention Bottlenecks for Multimodal Fusion
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Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks.A common approach for building multimodal models is to simply combine multiple of these modality-specific architectures using late-stage fusion of final representations or predictions ('late-fusion').Instead, we introduce a novel transformer based architecture that uses 'attention bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, these bottlenecks force information between different modalities to pass through a small number of '`bottleneck' latent units, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.
Arsha Nagrani, Shan Yang, Anurag Arnab, Aren Jansen, Cordelia Schmid, Chen Sun
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2,021
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Class-Incremental Learning via Dual Augmentation
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Deep learning systems typically suffer from catastrophic forgetting of past knowledge when acquiring new skills continually. In this paper, we emphasize two dilemmas, representation bias and classifier bias in class-incremental learning, and present a simple and novel approach that employs explicit class augmentation (classAug) and implicit semantic augmentation (semanAug) to address the two biases, respectively. On the one hand, we propose to address the representation bias by learning transferable and diverse representations. Specifically, we investigate the feature representations in incremental learning based on spectral analysis and present a simple technique called classAug, to let the model see more classes during training for learning representations transferable across classes. On the other hand, to overcome the classifier bias, semanAug implicitly involves the simultaneous generating of an infinite number of instances of old classes in the deep feature space, which poses tighter constraints to maintain the decision boundary of previously learned classes. Without storing any old samples, our method can perform comparably with representative data replay based approaches.
Fei Zhu, Zhen Cheng, Xu-yao Zhang, Cheng-lin Liu
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2,021
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Uniform-PAC Bounds for Reinforcement Learning with Linear Function Approximation
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We study reinforcement learning (RL) with linear function approximation. Existing algorithms for this problem only have high-probability regret and/or Probably Approximately Correct (PAC) sample complexity guarantees, which cannot guarantee the convergence to the optimal policy. In this paper, in order to overcome the limitation of existing algorithms, we propose a new algorithm called FLUTE, which enjoys uniform-PAC convergence to the optimal policy with high probability. The uniform-PAC guarantee is the strongest possible guarantee for reinforcement learning in the literature, which can directly imply both PAC and high probability regret bounds, making our algorithm superior to all existing algorithms with linear function approximation. At the core of our algorithm is a novel minimax value function estimator and a multi-level partition scheme to select the training samples from historical observations. Both of these techniques are new and of independent interest.
Jiafan He, Dongruo Zhou, Quanquan Gu
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2,021
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Slow Learning and Fast Inference: Efficient Graph Similarity Computation via Knowledge Distillation
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Graph Similarity Computation (GSC) is essential to wide-ranging graph applications such as retrieval, plagiarism/anomaly detection, etc. The exact computation of graph similarity, e.g., Graph Edit Distance (GED), is an NP-hard problem that cannot be exactly solved within an adequate time given large graphs. Thanks to the strong representation power of graph neural network (GNN), a variety of GNN-based inexact methods emerged. To capture the subtle difference across graphs, the key success is designing the dense interaction with features fusion at the early stage, which, however, is a trade-off between speed and accuracy. For slow learning of graph similarity, this paper proposes a novel early-fusion approach by designing a co-attention-based feature fusion network on multilevel GNN features. To further improve the speed without much accuracy drop, we introduce an efficient GSC solution by distilling the knowledge from the slow early-fusion model to the student one for fast inference. Such a student model also enables the offline collection of individual graph embeddings, speeding up the inference time in orders. To address the instability through knowledge transfer, we decompose the dynamic joint embedding into the static pseudo individual ones for precise teacher-student alignment. The experimental analysis on the real-world datasets demonstrates the superiority of our approach over the state-of-the-art methods on both accuracy and efficiency. Particularly, we speed up the prior art by more than 10x on the benchmark AIDS data.
Can Qin, Handong Zhao, Lichen Wang, Huan Wang, Yulun Zhang, Yun Fu
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2,021
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Compressed Video Contrastive Learning
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This work concerns self-supervised video representation learning (SSVRL), one topic that has received much attention recently. Since videos are storage-intensive and contain a rich source of visual content, models designed for SSVRL are expected to be storage- and computation-efficient, as well as effective. However, most existing methods only focus on one of the two objectives, failing to consider both at the same time. In this work, for the first time, the seemingly contradictory goals are simultaneously achieved by exploiting compressed videos and capturing mutual information between two input streams. Specifically, a novel Motion Vector based Cross Guidance Contrastive learning approach (MVCGC) is proposed. For storage and computation efficiency, we choose to directly decode RGB frames and motion vectors (that resemble low-resolution optical flows) from compressed videos on-the-fly. To enhance the representation ability of the motion vectors, hence the effectiveness of our method, we design a cross guidance contrastive learning algorithm based on multi-instance InfoNCE loss, where motion vectors can take supervision signals from RGB frames and vice versa. Comprehensive experiments on two downstream tasks show that our MVCGC yields new state-of-the-art while being significantly more efficient than its competitors.
Yuqi Huo, Mingyu Ding, Haoyu Lu, Nanyi Fei, Zhiwu Lu, Ji-Rong Wen, Ping Luo
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2,021
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Leveraging Spatial and Temporal Correlations in Sparsified Mean Estimation
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We study the problem of estimating at a central server the mean of a set of vectors distributed across several nodes (one vector per node). When the vectors are high-dimensional, the communication cost of sending entire vectors may be prohibitive, and it may be imperative for them to use sparsification techniques. While most existing work on sparsified mean estimation is agnostic to the characteristics of the data vectors, in many practical applications such as federated learning, there may be spatial correlations (similarities in the vectors sent by different nodes) or temporal correlations (similarities in the data sent by a single node over different iterations of the algorithm) in the data vectors. We leverage these correlations by simply modifying the decoding method used by the server to estimate the mean. We provide an analysis of the resulting estimation error as well as experiments for PCA, K-Means and Logistic Regression, which show that our estimators consistently outperform more sophisticated and expensive sparsification methods.
Divyansh Jhunjhunwala, Ankur Mallick, Advait Gadhikar, Swanand Kadhe, Gauri Joshi
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2,021
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Robust and Fully-Dynamic Coreset for Continuous-and-Bounded Learning (With Outliers) Problems
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In many machine learning tasks, a common approach for dealing with large-scale data is to build a small summary, {\em e.g.,} coreset, that can efficiently represent the original input. However, real-world datasets usually contain outliers and most existing coreset construction methods are not resilient against outliers (in particular, an outlier can be located arbitrarily in the space by an adversarial attacker). In this paper, we propose a novel robust coreset method for the {\em continuous-and-bounded learning} problems (with outliers) which includes a broad range of popular optimization objectives in machine learning, {\em e.g.,} logistic regression and $ k $-means clustering. Moreover, our robust coreset can be efficiently maintained in fully-dynamic environment. To the best of our knowledge, this is the first robust and fully-dynamic coreset construction method for these optimization problems. Another highlight is that our coreset size can depend on the doubling dimension of the parameter space, rather than the VC dimension of the objective function which could be very large or even challenging to compute. Finally, we conduct the experiments on real-world datasets to evaluate the effectiveness of our proposed robust coreset method.
Zixiu Wang, Yiwen Guo, Hu Ding
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2,021
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Rethinking and Reweighting the Univariate Losses for Multi-Label Ranking: Consistency and Generalization
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The (partial) ranking loss is a commonly used evaluation measure for multi-label classification, which is usually optimized with convex surrogates for computational efficiency. Prior theoretical efforts on multi-label ranking mainly focus on (Fisher) consistency analyses. However, there is a gap between existing theory and practice --- some inconsistent pairwise losses can lead to promising performance, while some consistent univariate losses usually have no clear superiority in practice. To take a step towards filling up this gap, this paper presents a systematic study from two complementary perspectives of consistency and generalization error bounds of learning algorithms. We theoretically find two key factors of the distribution (or dataset) that affect the learning guarantees of algorithms: the instance-wise class imbalance and the label size $c$. Specifically, in an extremely imbalanced case, the algorithm with the consistent univariate loss has an error bound of $O(c)$, while the one with the inconsistent pairwise loss depends on $O(\sqrt{c})$ as shown in prior work. This may shed light on the superior performance of pairwise methods in practice, where real datasets are usually highly imbalanced. Moreover, we present an inconsistent reweighted univariate loss-based algorithm that enjoys an error bound of $O(\sqrt{c})$ for promising performance as well as the computational efficiency of univariate losses. Finally, experimental results confirm our theoretical findings.
Guoqiang Wu, Chongxuan LI, Kun Xu, Jun Zhu
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2,021
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Spot the Difference: Detection of Topological Changes via Geometric Alignment
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Geometric alignment appears in a variety of applications, ranging from domain adaptation, optimal transport, and normalizing flows in machine learning; optical flow and learned augmentation in computer vision and deformable registration within biomedical imaging. A recurring challenge is the alignment of domains whose topology is not the same; a problem that is routinely ignored, potentially introducing bias in downstream analysis. As a first step towards solving such alignment problems, we propose an unsupervised algorithm for the detection of changes in image topology. The model is based on a conditional variational auto-encoder and detects topological changes between two images during the registration step. We account for both topological changes in the image under spatial variation and unexpected transformations. Our approach is validated on two tasks and datasets: detection of topological changes in microscopy images of cells, and unsupervised anomaly detection brain imaging.
Per Steffen Czolbe, Aasa Feragen, Oswin Krause
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2,021
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Improving Calibration through the Relationship with Adversarial Robustness
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Neural networks lack adversarial robustness, i.e., they are vulnerable to adversarial examples that through small perturbations to inputs cause incorrect predictions. Further, trust is undermined when models give miscalibrated predictions, i.e., the predicted probability is not a good indicator of how much we should trust our model. In this paper, we study the connection between adversarial robustness and calibration and find that the inputs for which the model is sensitive to small perturbations (are easily attacked) are more likely to have poorly calibrated predictions. Based on this insight, we examine if calibration can be improved by addressing those adversarially unrobust inputs. To this end, we propose Adversarial Robustness based Adaptive Label Smoothing (AR-AdaLS) that integrates the correlations of adversarial robustness and calibration into training by adaptively softening labels for an example based on how easily it can be attacked by an adversary. We find that our method, taking the adversarial robustness of the in-distribution data into consideration, leads to better calibration over the model even under distributional shifts. In addition, AR-AdaLS can also be applied to an ensemble model to further improve model calibration.
Yao Qin, Xuezhi Wang, Alex Beutel, Ed Chi
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2,021
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Co-evolution Transformer for Protein Contact Prediction
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Proteins are the main machinery of life and protein functions are largely determined by their 3D structures. The measurement of the pairwise proximity between amino acids of a protein, known as inter-residue contact map, well characterizes the structural information of a protein. Protein contact prediction (PCP) is an essential building block of many protein structure related applications. The prevalent approach to contact prediction is based on estimating the inter-residue contacts using hand-crafted coevolutionary features derived from multiple sequence alignments (MSAs). To mitigate the information loss caused by hand-crafted features, some recently proposed methods try to learn residue co-evolutions directly from MSAs. These methods generally derive coevolutionary features by aggregating the learned residue representations from individual sequences with equal weights, which is inconsistent with the premise that residue co-evolutions are a reflection of collective covariation patterns of numerous homologous proteins. Moreover, non-homologous residues and gaps commonly exist in MSAs. By aggregating features from all homologs equally, the non-homologous information may cause misestimation of the residue co-evolutions. To overcome these issues, we propose an attention-based architecture, Co-evolution Transformer (CoT), for PCP. CoT jointly considers the information from all homologous sequences in the MSA to better capture global coevolutionary patterns. To mitigate the influence of the non-homologous information, CoT selectively aggregates the features from different homologs by assigning smaller weights to non-homologous sequences or residue pairs. Extensive experiments on two rigorous benchmark datasets demonstrate the effectiveness of CoT. In particular, CoT achieves a $51.6\%$ top-L long-range precision score for the Free Modeling (FM) domains on the CASP14 benchmark, which outperforms the winner group of CASP14 contact prediction challenge by $9.8\%$.
He Zhang, Fusong Ju, Jianwei Zhu, Liang He, Bin Shao, Nanning Zheng, Tie-Yan Liu
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2,021
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SE(3)-equivariant prediction of molecular wavefunctions and electronic densities
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Machine learning has enabled the prediction of quantum chemical properties with high accuracy and efficiency, allowing to bypass computationally costly ab initio calculations. Instead of training on a fixed set of properties, more recent approaches attempt to learn the electronic wavefunction (or density) as a central quantity of atomistic systems, from which all other observables can be derived. This is complicated by the fact that wavefunctions transform non-trivially under molecular rotations, which makes them a challenging prediction target. To solve this issue, we introduce general SE(3)-equivariant operations and building blocks for constructing deep learning architectures for geometric point cloud data and apply them to reconstruct wavefunctions of atomistic systems with unprecedented accuracy. Our model achieves speedups of over three orders of magnitude compared to ab initio methods and reduces prediction errors by up to two orders of magnitude compared to the previous state-of-the-art. This accuracy makes it possible to derive properties such as energies and forces directly from the wavefunction in an end-to-end manner. We demonstrate the potential of our approach in a transfer learning application, where a model trained on low accuracy reference wavefunctions implicitly learns to correct for electronic many-body interactions from observables computed at a higher level of theory. Such machine-learned wavefunction surrogates pave the way towards novel semi-empirical methods, offering resolution at an electronic level while drastically decreasing computational cost. Additionally, the predicted wavefunctions can serve as initial guess in conventional ab initio methods, decreasing the number of iterations required to arrive at a converged solution, thus leading to significant speedups without any loss of accuracy or robustness. While we focus on physics applications in this contribution, the proposed equivariant framework for deep learning on point clouds is promising also beyond, say, in computer vision or graphics.
Oliver Unke, Mihail Bogojeski, Michael Gastegger, Mario Geiger, Tess Smidt, Klaus-Robert Müller
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2,021
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Rethinking the Variational Interpretation of Accelerated Optimization Methods
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The continuous-time model of Nesterov's momentum provides a thought-provoking perspective for understanding the nature of the acceleration phenomenon in convex optimization. One of the main ideas in this line of research comes from the field of classical mechanics and proposes to link Nesterov's trajectory to the solution of a set of Euler-Lagrange equations relative to the so-called Bregman Lagrangian. In the last years, this approach led to the discovery of many new (stochastic) accelerated algorithms and provided a solid theoretical foundation for the design of structure-preserving accelerated methods. In this work, we revisit this idea and provide an in-depth analysis of the action relative to the Bregman Lagrangian from the point of view of calculus of variations. Our main finding is that, while Nesterov's method is a stationary point for the action, it is often not a minimizer but instead a saddle point for this functional in the space of differentiable curves. This finding challenges the main intuition behind the variational interpretation of Nesterov's method and provides additional insights into the intriguing geometry of accelerated paths.
Peiyuan Zhang, Antonio Orvieto, Hadi Daneshmand
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2,021
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Linear and Kernel Classification in the Streaming Model: Improved Bounds for Heavy Hitters
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We study linear and kernel classification in the streaming model. For linear classification, we improve upon the algorithm of (Tai, et al. 2018), which solves the $\ell_1$ point query problem on the optimal weight vector $w_* \in \mathbb{R}^d$ in sublinear space. We first give an algorithm solving the more difficult $\ell_2$ point query problem on $w_*$, also in sublinear space. We also give an algorithm which solves the $\ell_2$ heavy hitter problem on $w_*$, in sublinear space and running time. Finally, we give an algorithm which can $\textit{deterministically}$ solve the $\ell_1$ point query problem on $w_*$, with sublinear space improving upon that of (Tai, et al. 2018). For kernel classification, if $w_* \in \mathbb{R}^{d^p}$ is the optimal weight vector classifying points in the stream according to their $p^{th}$-degree polynomial kernel, then we give an algorithm solving the $\ell_2$ point query problem on $w_*$ in $\text{poly}(\frac{p \log d}{\varepsilon})$ space, and an algorithm solving the $\ell_2$ heavy hitter problem in $\text{poly}(\frac{p \log d}{\varepsilon})$ space and running time. Note that our space and running time are polynomial in $p$, making our algorithms well-suited to high-degree polynomial kernels and the Gaussian kernel (approximated by the polynomial kernel of degree $p = \Theta(\log T)$).
Arvind Mahankali, David Woodruff
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2,021
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Look at What I’m Doing: Self-Supervised Spatial Grounding of Narrations in Instructional Videos
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We introduce the task of spatially localizing narrated interactions in videos. Key to our approach is the ability to learn to spatially localize interactions with self-supervision on a large corpus of videos with accompanying transcribed narrations. To achieve this goal, we propose a multilayer cross-modal attention network that enables effective optimization of a contrastive loss during training. We introduce a divided strategy that alternates between computing inter- and intra-modal attention across the visual and natural language modalities, which allows effective training via directly contrasting the two modalities' representations. We demonstrate the effectiveness of our approach by self-training on the HowTo100M instructional video dataset and evaluating on a newly collected dataset of localized described interactions in the YouCook2 dataset. We show that our approach outperforms alternative baselines, including shallow co-attention and full cross-modal attention. We also apply our approach to grounding phrases in images with weak supervision on Flickr30K and show that stacking multiple attention layers is effective and, when combined with a word-to-region loss, achieves state of the art on recall-at-one and pointing hand accuracies.
Reuben Tan, Bryan Plummer, Kate Saenko, Hailin Jin, Bryan Russell
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2,021
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RETRIEVE: Coreset Selection for Efficient and Robust Semi-Supervised Learning
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Semi-supervised learning (SSL) algorithms have had great success in recent years in limited labeled data regimes. However, the current state-of-the-art SSL algorithms are computationally expensive and entail significant compute time and energy requirements. This can prove to be a huge limitation for many smaller companies and academic groups. Our main insight is that training on a subset of unlabeled data instead of entire unlabeled data enables the current SSL algorithms to converge faster, significantly reducing computational costs. In this work, we propose RETRIEVE, a coreset selection framework for efficient and robust semi-supervised learning. RETRIEVE selects the coreset by solving a mixed discrete-continuous bi-level optimization problem such that the selected coreset minimizes the labeled set loss. We use a one-step gradient approximation and show that the discrete optimization problem is approximately submodular, enabling simple greedy algorithms to obtain the coreset. We empirically demonstrate on several real-world datasets that existing SSL algorithms like VAT, Mean-Teacher, FixMatch, when used with RETRIEVE, achieve a) faster training times, b) better performance when unlabeled data consists of Out-of-Distribution (OOD) data and imbalance. More specifically, we show that with minimal accuracy degradation, RETRIEVE achieves a speedup of around $3\times$ in the traditional SSL setting and achieves a speedup of $5\times$ compared to state-of-the-art (SOTA) robust SSL algorithms in the case of imbalance and OOD data. RETRIEVE is available as a part of the CORDS toolkit: https://github.com/decile-team/cords.
Krishnateja Killamsetty, Xujiang Zhao, Feng Chen, Rishabh Iyer
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2,021
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Controlled Text Generation as Continuous Optimization with Multiple Constraints
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As large-scale language model pretraining pushes the state-of-the-art in text generation, recent work has turned to controlling attributes of the text such models generate. While modifying the pretrained models via fine-tuning remains the popular approach, it incurs a significant computational cost and can be infeasible due to a lack of appropriate data. As an alternative, we propose \textsc{MuCoCO}---a flexible and modular algorithm for controllable inference from pretrained models. We formulate the decoding process as an optimization problem that allows for multiple attributes we aim to control to be easily incorporated as differentiable constraints. By relaxing this discrete optimization to a continuous one, we make use of Lagrangian multipliers and gradient-descent-based techniques to generate the desired text. We evaluate our approach on controllable machine translation and style transfer with multiple sentence-level attributes and observe significant improvements over baselines.
Sachin Kumar, Eric Malmi, Aliaksei Severyn, Yulia Tsvetkov
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2,021
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S$^3$: Sign-Sparse-Shift Reparametrization for Effective Training of Low-bit Shift Networks
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Shift neural networks reduce computation complexity by removing expensive multiplication operations and quantizing continuous weights into low-bit discrete values, which are fast and energy-efficient compared to conventional neural networks. However, existing shift networks are sensitive to the weight initialization and yield a degraded performance caused by vanishing gradient and weight sign freezing problem. To address these issues, we propose S$^3$ re-parameterization, a novel technique for training low-bit shift networks. Our method decomposes a discrete parameter in a sign-sparse-shift 3-fold manner. This way, it efficiently learns a low-bit network with weight dynamics similar to full-precision networks and insensitive to weight initialization. Our proposed training method pushes the boundaries of shift neural networks and shows 3-bit shift networks compete with their full-precision counterparts in terms of top-1 accuracy on ImageNet.
Xinlin Li, Bang Liu, Yaoliang Yu, Wulong Liu, Chunjing XU, Vahid Partovi Nia
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2,021
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Convergence of adaptive algorithms for constrained weakly convex optimization
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We analyze the adaptive first order algorithm AMSGrad, for solving a constrained stochastic optimization problem with a weakly convex objective. We prove the $\mathcal{\tilde O}(t^{-1/2})$ rate of convergence for the squared norm of the gradient of Moreau envelope, which is the standard stationarity measure for this class of problems. It matches the known rates that adaptive algorithms enjoy for the specific case of unconstrained smooth nonconvex stochastic optimization. Our analysis works with mini-batch size of $1$, constant first and second order moment parameters, and possibly unbounded optimization domains. Finally, we illustrate the applications and extensions of our results to specific problems and algorithms.
Ahmet Alacaoglu, Yura Malitsky, Volkan Cevher
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2,021
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Do Neural Optimal Transport Solvers Work? A Continuous Wasserstein-2 Benchmark
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Despite the recent popularity of neural network-based solvers for optimal transport (OT), there is no standard quantitative way to evaluate their performance. In this paper, we address this issue for quadratic-cost transport---specifically, computation of the Wasserstein-2 distance, a commonly-used formulation of optimal transport in machine learning. To overcome the challenge of computing ground truth transport maps between continuous measures needed to assess these solvers, we use input-convex neural networks (ICNN) to construct pairs of measures whose ground truth OT maps can be obtained analytically. This strategy yields pairs of continuous benchmark measures in high-dimensional spaces such as spaces of images. We thoroughly evaluate existing optimal transport solvers using these benchmark measures. Even though these solvers perform well in downstream tasks, many do not faithfully recover optimal transport maps. To investigate the cause of this discrepancy, we further test the solvers in a setting of image generation. Our study reveals crucial limitations of existing solvers and shows that increased OT accuracy does not necessarily correlate to better results downstream.
Alexander Korotin, Lingxiao Li, Aude Genevay, Justin M. Solomon, Alexander Filippov, Evgeny Burnaev
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2,021
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Scaling up Continuous-Time Markov Chains Helps Resolve Underspecification
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Modeling the time evolution of discrete sets of items (e.g., genetic mutations) is a fundamental problem in many biomedical applications. We approach this problem through the lens of continuous-time Markov chains, and show that the resulting learning task is generally underspecified in the usual setting of cross-sectional data. We explore a perhaps surprising remedy: including a number of additional independent items can help determine time order, and hence resolve underspecification. This is in sharp contrast to the common practice of limiting the analysis to a small subset of relevant items, which is followed largely due to poor scaling of existing methods. To put our theoretical insight into practice, we develop an approximate likelihood maximization method for learning continuous-time Markov chains, which can scale to hundreds of items and is orders of magnitude faster than previous methods. We demonstrate the effectiveness of our approach on synthetic and real cancer data.
Alkis Gotovos, Rebekka Burkholz, John Quackenbush, Stefanie Jegelka
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2,021
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Modified Frank Wolfe in Probability Space
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We propose a novel Frank-Wolfe (FW) procedure for the optimization of infinite-dimensional functionals of probability measures - a task which arises naturally in a wide range of areas including statistical learning (e.g. variational inference) and artificial intelligence (e.g. generative adversarial networks). Our FW procedure takes advantage of Wasserstein gradient flows and strong duality results recently developed in Distributionally Robust Optimization so that gradient steps (in the Wasserstein space) can be efficiently computed using finite-dimensional, convex optimization methods. We show how to choose the step sizes in order to guarantee exponentially fast iteration convergence, under mild assumptions on the functional to optimize. We apply our algorithm to a range of functionals arising from applications in nonparametric estimation.
Carson Kent, Jiajin Li, Jose Blanchet, Peter W Glynn
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2,021
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Training Feedback Spiking Neural Networks by Implicit Differentiation on the Equilibrium State
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Spiking neural networks (SNNs) are brain-inspired models that enable energy-efficient implementation on neuromorphic hardware. However, the supervised training of SNNs remains a hard problem due to the discontinuity of the spiking neuron model. Most existing methods imitate the backpropagation framework and feedforward architectures for artificial neural networks, and use surrogate derivatives or compute gradients with respect to the spiking time to deal with the problem. These approaches either accumulate approximation errors or only propagate information limitedly through existing spikes, and usually require information propagation along time steps with large memory costs and biological implausibility. In this work, we consider feedback spiking neural networks, which are more brain-like, and propose a novel training method that does not rely on the exact reverse of the forward computation. First, we show that the average firing rates of SNNs with feedback connections would gradually evolve to an equilibrium state along time, which follows a fixed-point equation. Then by viewing the forward computation of feedback SNNs as a black-box solver for this equation, and leveraging the implicit differentiation on the equation, we can compute the gradient for parameters without considering the exact forward procedure. In this way, the forward and backward procedures are decoupled and therefore the problem of non-differentiable spiking functions is avoided. We also briefly discuss the biological plausibility of implicit differentiation, which only requires computing another equilibrium. Extensive experiments on MNIST, Fashion-MNIST, N-MNIST, CIFAR-10, and CIFAR-100 demonstrate the superior performance of our method for feedback models with fewer neurons and parameters in a small number of time steps. Our code is available at https://github.com/pkuxmq/IDE-FSNN.
Mingqing Xiao, Qingyan Meng, Zongpeng Zhang, Yisen Wang, Zhouchen Lin
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2,021
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Linear Convergence in Federated Learning: Tackling Client Heterogeneity and Sparse Gradients
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We consider a standard federated learning (FL) setup where a group of clients periodically coordinate with a central server to train a statistical model. We develop a general algorithmic framework called FedLin to tackle some of the key challenges intrinsic to FL, namely objective heterogeneity, systems heterogeneity, and infrequent and imprecise communication. Our framework is motivated by the observation that under these challenges, various existing FL algorithms suffer from a fundamental speed-accuracy conflict: they either guarantee linear convergence but to an incorrect point, or convergence to the global minimum but at a sub-linear rate, i.e., fast convergence comes at the expense of accuracy. In contrast, when the clients' local loss functions are smooth and strongly convex, we show that FedLin guarantees linear convergence to the global minimum, despite arbitrary objective and systems heterogeneity. We then establish matching upper and lower bounds on the convergence rate of FedLin that highlight the effects of infrequent, periodic communication. Finally, we show that FedLin preserves linear convergence rates under aggressive gradient sparsification, and quantify the effect of the compression level on the convergence rate. Notably, our work is the first to provide tight linear convergence rate guarantees, and constitutes the first comprehensive analysis of gradient sparsification in FL.
Aritra Mitra, Rayana Jaafar, George J. Pappas, Hamed Hassani
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2,021
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Implicit MLE: Backpropagating Through Discrete Exponential Family Distributions
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Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.
Mathias Niepert, Pasquale Minervini, Luca Franceschi
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2,021
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Hard-Attention for Scalable Image Classification
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Can we leverage high-resolution information without the unsustainable quadratic complexity to input scale? We propose Traversal Network (TNet), a novel multi-scale hard-attention architecture, which traverses image scale-space in a top-down fashion, visiting only the most informative image regions along the way. TNet offers an adjustable trade-off between accuracy and complexity, by changing the number of attended image locations. We compare our model against hard-attention baselines on ImageNet, achieving higher accuracy with less resources (FLOPs, processing time and memory). We further test our model on fMoW dataset, where we process satellite images of size up to $896 \times 896$ px, getting up to $2.5$x faster processing compared to baselines operating on the same resolution, while achieving higher accuracy as well. TNet is modular, meaning that most classification models could be adopted as its backbone for feature extraction, making the reported performance gains orthogonal to benefits offered by existing optimized deep models. Finally, hard-attention guarantees a degree of interpretability to our model's predictions, without any extra cost beyond inference.
Athanasios Papadopoulos, Pawel Korus, Nasir Memon
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2,021
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Topic Modeling Revisited: A Document Graph-based Neural Network Perspective
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Most topic modeling approaches are based on the bag-of-words assumption, where each word is required to be conditionally independent in the same document. As a result, both of the generative story and the topic formulation have totally ignored the semantic dependency among words, which is important for improving the semantic comprehension and model interpretability. To this end, in this paper, we revisit the task of topic modeling by transforming each document into a directed graph with word dependency as edges between word nodes, and develop a novel approach, namely Graph Neural Topic Model (GNTM). Specifically, in GNTM, a well-defined probabilistic generative story is designed to model both the graph structure and word sets with multinomial distributions on the vocabulary and word dependency edge set as the topics. Meanwhile, a Neural Variational Inference (NVI) approach is proposed to learn our model with graph neural networks to encode the document graphs. Besides, we theoretically demonstrate that Latent Dirichlet Allocation (LDA) can be derived from GNTM as a special case with similar objective functions. Finally, extensive experiments on four benchmark datasets have clearly demonstrated the effectiveness and interpretability of GNTM compared with state-of-the-art baselines.
Dazhong Shen, Chuan Qin, Chao Wang, Zheng Dong, Hengshu Zhu, Hui Xiong
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2,021
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Sequential Causal Imitation Learning with Unobserved Confounders
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"Monkey see monkey do" is an age-old adage, referring to naive imitation without a deep understanding of a system's underlying mechanics. Indeed, if a demonstrator has access to information unavailable to the imitator (monkey), such as a different set of sensors, then no matter how perfectly the imitator models its perceived environment (See), attempting to directly reproduce the demonstrator's behavior (Do) can lead to poor outcomes. Imitation learning in the presence of a mismatch between demonstrator and imitator has been studied in the literature under the rubric of causal imitation learning (Zhang et. al. 2020), but existing solutions are limited to single-stage decision-making. This paper investigates the problem of causal imitation learning in sequential settings, where the imitator must make multiple decisions per episode. We develop a graphical criterion that is both necessary and sufficient for determining the feasibility of causal imitation, providing conditions when an imitator can match a demonstrator's performance despite differing capabilities. Finally, we provide an efficient algorithm for determining imitability, and corroborate our theory with simulations.
Daniel Kumor, Junzhe Zhang, Elias Bareinboim
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2,021
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MAP Propagation Algorithm: Faster Learning with a Team of Reinforcement Learning Agents
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Nearly all state-of-the-art deep learning algorithms rely on error backpropagation, which is generally regarded as biologically implausible. An alternative way of training an artificial neural network is through treating each unit in the network as a reinforcement learning agent, and thus the network is considered as a team of agents. As such, all units can be trained by REINFORCE, a local learning rule modulated by a global signal that is more consistent with biologically observed forms of synaptic plasticity. Although this learning rule follows the gradient of return in expectation, it suffers from high variance and thus the low speed of learning, rendering it impractical to train deep networks. We therefore propose a novel algorithm called MAP propagation to reduce this variance significantly while retaining the local property of the learning rule. Experiments demonstrated that MAP propagation could solve common reinforcement learning tasks at a similar speed to backpropagation when applied to an actor-critic network. Our work thus allows for the broader application of teams of agents in deep reinforcement learning.
Stephen Chung
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Profiling Pareto Front With Multi-Objective Stein Variational Gradient Descent
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Finding diverse and representative Pareto solutions from the Pareto front is a key challenge in multi-objective optimization (MOO). In this work, we propose a novel gradient-based algorithm for profiling Pareto front by using Stein variational gradient descent (SVGD). We also provide a counterpart of our method based on Langevin dynamics. Our methods iteratively update a set of points in a parallel fashion to push them towards the Pareto front using multiple gradient descent, while encouraging the diversity between the particles by using the repulsive force mechanism in SVGD, or diffusion noise in Langevin dynamics. Compared with existing gradient-based methods that require predefined preference functions, our method can work efficiently in high dimensional problems, and can obtain more diverse solutions evenly distributed in the Pareto front. Moreover, our methods are theoretically guaranteed to converge to the Pareto front. We demonstrate the effectiveness of our method, especially the SVGD algorithm, through extensive experiments, showing its superiority over existing gradient-based algorithms.
Xingchao Liu, Xin Tong, Qiang Liu
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2,021
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TransGAN: Two Pure Transformers Can Make One Strong GAN, and That Can Scale Up
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The recent explosive interest on transformers has suggested their potential to become powerful ``universal" models for computer vision tasks, such as classification, detection, and segmentation. While those attempts mainly study the discriminative models, we explore transformers on some more notoriously difficult vision tasks, e.g., generative adversarial networks (GANs). Our goal is to conduct the first pilot study in building a GAN \textit{completely free of convolutions}, using only pure transformer-based architectures. Our vanilla GAN architecture, dubbed \textbf{TransGAN}, consists of a memory-friendly transformer-based generator that progressively increases feature resolution, and correspondingly a multi-scale discriminator to capture simultaneously semantic contexts and low-level textures. On top of them, we introduce the new module of grid self-attention for alleviating the memory bottleneck further, in order to scale up TransGAN to high-resolution generation. We also develop a unique training recipe including a series of techniques that can mitigate the training instability issues of TransGAN, such as data augmentation, modified normalization, and relative position encoding. Our best architecture achieves highly competitive performance compared to current state-of-the-art GANs using convolutional backbones. Specifically, TransGAN sets \textbf{new state-of-the-art} inception score of 10.43 and FID of 18.28 on STL-10. It also reaches the inception score of 9.02 and FID of 9.26 on CIFAR-10, and 5.28 FID on CelebA $\mathbf{128} \times \mathbf{128}$, respectively: both on par with the current best results and outperforming StyleGAN-V2. When it comes to higher-resolution (e.g. $\mathbf{256} \times \mathbf{256}$) generation tasks, such as on CelebA-HQ and LSUN-Church, TransGAN continues to produce diverse visual examples with high fidelity and impressive texture details. In addition, we dive deep into the transformer-based generation models to understand how their behaviors differ from convolutional ones, by visualizing training dynamics. The code is available at: https://github.com/VITA-Group/TransGAN.
Yifan Jiang, Shiyu Chang, Zhangyang Wang
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2,021
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Physics-Integrated Variational Autoencoders for Robust and Interpretable Generative Modeling
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Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics models into deep generative models. In particular, we introduce an architecture of variational autoencoders (VAEs) in which a part of the latent space is grounded by physics. A key technical challenge is to strike a balance between the incomplete physics and trainable components such as neural networks for ensuring that the physics part is used in a meaningful manner. To this end, we propose a regularized learning method that controls the effect of the trainable components and preserves the semantics of the physics-based latent variables as intended. We not only demonstrate generative performance improvements over a set of synthetic and real-world datasets, but we also show that we learn robust models that can consistently extrapolate beyond the training distribution in a meaningful manner. Moreover, we show that we can control the generative process in an interpretable manner.
Naoya Takeishi, Alexandros Kalousis
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2,021
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Online Meta-Learning via Learning with Layer-Distributed Memory
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We demonstrate that efficient meta-learning can be achieved via end-to-end training of deep neural networks with memory distributed across layers. The persistent state of this memory assumes the entire burden of guiding task adaptation. Moreover, its distributed nature is instrumental in orchestrating adaptation. Ablation experiments demonstrate that providing relevant feedback to memory units distributed across the depth of the network enables them to guide adaptation throughout the entire network. Our results show that this is a successful strategy for simplifying meta-learning -- often cast as a bi-level optimization problem -- to standard end-to-end training, while outperforming gradient-based, prototype-based, and other memory-based meta-learning strategies. Additionally, our adaptation strategy naturally handles online learning scenarios with a significant delay between observing a sample and its corresponding label -- a setting in which other approaches struggle. Adaptation via distributed memory is effective across a wide range of learning tasks, ranging from classification to online few-shot semantic segmentation.
Sudarshan Babu, Pedro Savarese, Michael Maire
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2,021
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Locally Most Powerful Bayesian Test for Out-of-Distribution Detection using Deep Generative Models
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Several out-of-distribution (OOD) detection scores have been recently proposed for deep generative models because the direct use of the likelihood threshold for OOD detection has been shown to be problematic. In this paper, we propose a new OOD score based on a Bayesian hypothesis test called the locally most powerful Bayesian test (LMPBT). The LMPBT is locally most powerful in that the alternative hypothesis (the representative parameter for the OOD sample) is specified to maximize the probability that the Bayes factor exceeds the evidence threshold in favor of the alternative hypothesis provided that the parameter specified under the alternative hypothesis is in the neighborhood of the parameter specified under the null hypothesis. That is, under this neighborhood parameter condition, the test with the proposed alternative hypothesis maximizes the probability of correct detection of OOD samples. We also propose numerical strategies for more efficient and reliable computation of the LMPBT for practical application to deep generative models. Evaluations conducted of the OOD detection performance of the LMPBT on various benchmark datasets demonstrate its superior performance over existing OOD detection methods.
Keunseo Kim, JunCheol Shin, Heeyoung Kim
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2,021
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Qimera: Data-free Quantization with Synthetic Boundary Supporting Samples
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Model quantization is known as a promising method to compress deep neural networks, especially for inferences on lightweight mobile or edge devices. However, model quantization usually requires access to the original training data to maintain the accuracy of the full-precision models, which is often infeasible in real-world scenarios for security and privacy issues.A popular approach to perform quantization without access to the original data is to use synthetically generated samples, based on batch-normalization statistics or adversarial learning.However, the drawback of such approaches is that they primarily rely on random noise input to the generator to attain diversity of the synthetic samples. We find that this is often insufficient to capture the distribution of the original data, especially around the decision boundaries.To this end, we propose Qimera, a method that uses superposed latent embeddings to generate synthetic boundary supporting samples.For the superposed embeddings to better reflect the original distribution, we also propose using an additional disentanglement mapping layer and extracting information from the full-precision model.The experimental results show that Qimera achieves state-of-the-art performances for various settings on data-free quantization. Code is available at https://github.com/iamkanghyunchoi/qimera.
Kanghyun Choi, Deokki Hong, Noseong Park, Youngsok Kim, Jinho Lee
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2,021
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Differential Privacy Dynamics of Langevin Diffusion and Noisy Gradient Descent
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What is the information leakage of an iterative randomized learning algorithm about its training data, when the internal state of the algorithm is \emph{private}? How much is the contribution of each specific training epoch to the information leakage through the released model? We study this problem for noisy gradient descent algorithms, and model the \emph{dynamics} of R\'enyi differential privacy loss throughout the training process. Our analysis traces a provably \emph{tight} bound on the R\'enyi divergence between the pair of probability distributions over parameters of models trained on neighboring datasets. We prove that the privacy loss converges exponentially fast, for smooth and strongly convex loss functions, which is a significant improvement over composition theorems (which over-estimate the privacy loss by upper-bounding its total value over all intermediate gradient computations). For Lipschitz, smooth, and strongly convex loss functions, we prove optimal utility with a small gradient complexity for noisy gradient descent algorithms.
Rishav Chourasia, Jiayuan Ye, Reza Shokri
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2,021
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Graph Adversarial Self-Supervised Learning
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This paper studies a long-standing problem of learning the representations of a whole graph without human supervision. The recent self-supervised learning methods train models to be invariant to the transformations (views) of the inputs. However, designing these views requires the experience of human experts. Inspired by adversarial training, we propose an adversarial self-supervised learning (\texttt{GASSL}) framework for learning unsupervised representations of graph data without any handcrafted views. \texttt{GASSL} automatically generates challenging views by adding perturbations to the input and are adversarially trained with respect to the encoder. Our method optimizes the min-max problem and utilizes a gradient accumulation strategy to accelerate the training process. Experimental on ten graph classification datasets show that the proposed approach is superior to state-of-the-art self-supervised learning baselines, which are competitive with supervised models.
Longqi Yang, Liangliang Zhang, Wenjing Yang
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2,021
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H-NeRF: Neural Radiance Fields for Rendering and Temporal Reconstruction of Humans in Motion
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We present neural radiance fields for rendering and temporal (4D) reconstruction of humans in motion (H-NeRF), as captured by a sparse set of cameras or even from a monocular video. Our approach combines ideas from neural scene representation, novel-view synthesis, and implicit statistical geometric human representations, coupled using novel loss functions. Instead of learning a radiance field with a uniform occupancy prior, we constrain it by a structured implicit human body model, represented using signed distance functions. This allows us to robustly fuse information from sparse views and generalize well beyond the poses or views observed in training. Moreover, we apply geometric constraints to co-learn the structure of the observed subject -- including both body and clothing -- and to regularize the radiance field to geometrically plausible solutions. Extensive experiments on multiple datasets demonstrate the robustness and the accuracy of our approach, its generalization capabilities significantly outside a small training set of poses and views, and statistical extrapolation beyond the observed shape.
Hongyi Xu, Thiemo Alldieck, Cristian Sminchisescu
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2,021
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Adversarial Reweighting for Partial Domain Adaptation
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Partial domain adaptation (PDA) has gained much attention due to its practical setting. The current PDA methods usually adapt the feature extractor by aligning the target and reweighted source domain distributions. In this paper, we experimentally find that the feature adaptation by the reweighted distribution alignment in some state-of-the-art PDA methods is not robust to the ``noisy'' weights of source domain data, leading to negative domain transfer on some challenging benchmarks. To tackle the challenge of negative domain transfer, we propose a novel Adversarial Reweighting (AR) approach that adversarially learns the weights of source domain data to align the source and target domain distributions, and the transferable deep recognition network is learned on the reweighted source domain data. Based on this idea, we propose a training algorithm that alternately updates the parameters of the network and optimizes the weights of source domain data. Extensive experiments show that our method achieves state-of-the-art results on the benchmarks of ImageNet-Caltech, Office-Home, VisDA-2017, and DomainNet. Ablation studies also confirm the effectiveness of our approach.
Xiang Gu, Xi Yu, yan yang, Jian Sun, Zongben Xu
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2,021
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Stable Neural ODE with Lyapunov-Stable Equilibrium Points for Defending Against Adversarial Attacks
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Deep neural networks (DNNs) are well-known to be vulnerable to adversarial attacks, where malicious human-imperceptible perturbations are included in the input to the deep network to fool it into making a wrong classification. Recent studies have demonstrated that neural Ordinary Differential Equations (ODEs) are intrinsically more robust against adversarial attacks compared to vanilla DNNs. In this work, we propose a neural ODE with Lyapunov-stable equilibrium points for defending against adversarial attacks (SODEF). By ensuring that the equilibrium points of the ODE solution used as part of SODEF are Lyapunov-stable, the ODE solution for an input with a small perturbation converges to the same solution as the unperturbed input. We provide theoretical results that give insights into the stability of SODEF as well as the choice of regularizers to ensure its stability. Our analysis suggests that our proposed regularizers force the extracted feature points to be within a neighborhood of the Lyapunov-stable equilibrium points of the SODEF ODE. SODEF is compatible with many defense methods and can be applied to any neural network's final regressor layer to enhance its stability against adversarial attacks.
Qiyu Kang, Yang Song, Qinxu Ding, Wee Peng Tay
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2,021
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DOBF: A Deobfuscation Pre-Training Objective for Programming Languages
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Recent advances in self-supervised learning have dramatically improved the state of the art on a wide variety of tasks. However, research in language model pre-training has mostly focused on natural languages, and it is unclear whether models like BERT and its variants provide the best pre-training when applied to other modalities, such as source code. In this paper, we introduce a new pre-training objective, DOBF, that leverages the structural aspect of programming languages and pre-trains a model to recover the original version of obfuscated source code. We show that models pre-trained with DOBF significantly outperform existing approaches on multiple downstream tasks, providing relative improvements of up to 12.2% in unsupervised code translation, and 5.3% in natural language code search. Incidentally, we found that our pre-trained model is able to deobfuscate fully obfuscated source files, and to suggest descriptive variable names.
Marie-Anne Lachaux, Baptiste Roziere, Marc Szafraniec, Guillaume Lample
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Detecting Errors and Estimating Accuracy on Unlabeled Data with Self-training Ensembles
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When a deep learning model is deployed in the wild, it can encounter test data drawn from distributions different from the training data distribution and suffer drop in performance. For safe deployment, it is essential to estimate the accuracy of the pre-trained model on the test data. However, the labels for the test inputs are usually not immediately available in practice, and obtaining them can be expensive. This observation leads to two challenging tasks: (1) unsupervised accuracy estimation, which aims to estimate the accuracy of a pre-trained classifier on a set of unlabeled test inputs; (2) error detection, which aims to identify mis-classified test inputs. In this paper, we propose a principled and practically effective framework that simultaneously addresses the two tasks. The proposed framework iteratively learns an ensemble of models to identify mis-classified data points and performs self-training to improve the ensemble with the identified points. Theoretical analysis demonstrates that our framework enjoys provable guarantees for both accuracy estimation and error detection under mild conditions readily satisfied by practical deep learning models. Along with the framework, we proposed and experimented with two instantiations and achieved state-of-the-art results on 59 tasks. For example, on iWildCam, one instantiation reduces the estimation error for unsupervised accuracy estimation by at least 70% and improves the F1 score for error detection by at least 4.7% compared to existing methods.
Jiefeng Chen, Frederick Liu, Besim Avci, Xi Wu, Yingyu Liang, Somesh Jha
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Exploiting Chain Rule and Bayes' Theorem to Compare Probability Distributions
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To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.
Huangjie Zheng, Mingyuan Zhou
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Actively Identifying Causal Effects with Latent Variables Given Only Response Variable Observable
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In many real tasks, it is generally desired to study the causal effect on a specific target (response variable) only, with no need to identify the thorough causal effects involving all variables. In this paper, we attempt to identify such effects by a few active interventions where only the response variable is observable. This task is challenging because the causal graph is unknown and even there may exist latent confounders. To learn the necessary structure for identifying the effects, we provide the graphical characterization that allows us to efficiently estimate all possible causal effects in a partially mixed ancestral graph (PMAG) by generalized back-door criterion. The characterization guides learning a local structure with the interventional data. Theoretical analysis and empirical studies validate the effectiveness and efficiency of our proposed approach.
Tian-Zuo Wang, Zhi-Hua Zhou
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Interventional Sum-Product Networks: Causal Inference with Tractable Probabilistic Models
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While probabilistic models are an important tool for studying causality, doing so suffers from the intractability of inference. As a step towards tractable causal models, we consider the problem of learning interventional distributions using sum-product networks (SPNs) that are over-parameterized by gate functions, e.g., neural networks. Providing an arbitrarily intervened causal graph as input, effectively subsuming Pearl's do-operator, the gate function predicts the parameters of the SPN. The resulting interventional SPNs are motivated and illustrated by a structural causal model themed around personal health. Our empirical evaluation against competing methods from both generative and causal modelling demonstrates that interventional SPNs indeed are both expressive and causally adequate.
Matej Zečević, Devendra Dhami, Athresh Karanam, Sriraam Natarajan, Kristian Kersting
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Fast Routing under Uncertainty: Adaptive Learning in Congestion Games via Exponential Weights
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We examine an adaptive learning framework for nonatomic congestion games where the players' cost functions may be subject to exogenous fluctuations (e.g., due to disturbances in the network, variations in the traffic going through a link). In this setting, the popular multiplicative/ exponential weights algorithm enjoys an $\mathcal{O}(1/\sqrt{T})$ equilibrium convergence rate; however, this rate is suboptimal in static environments---i.e., when the network is not subject to randomness. In this static regime, accelerated algorithms achieve an $\mathcal{O}(1/T^{2})$ convergence speed, but they fail to converge altogether in stochastic problems. To fill this gap, we propose a novel, adaptive exponential weights method---dubbed AdaWeight---that seamlessly interpolates between the $\mathcal{O}(1/T^{2})$ and $\mathcal{O}(1/\sqrt{T})$ rates in the static and stochastic regimes respectively. Importantly, this "best-of-both-worlds" guarantee does not require any prior knowledge of the problem's parameters or tuning by the optimizer; in addition, the method's convergence speed depends subquadratically on the size of the network (number of vertices and edges), so it scales gracefully to large, real-life urban networks.
Dong Quan Vu, Kimon Antonakopoulos, Panayotis Mertikopoulos
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Random Shuffling Beats SGD Only After Many Epochs on Ill-Conditioned Problems
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Recently, there has been much interest in studying the convergence rates of without-replacement SGD, and proving that it is faster than with-replacement SGD in the worst case. However, known lower bounds ignore the problem's geometry, including its condition number, whereas the upper bounds explicitly depend on it. Perhaps surprisingly, we prove that when the condition number is taken into account, without-replacement SGD \emph{does not} significantly improve on with-replacement SGD in terms of worst-case bounds, unless the number of epochs (passes over the data) is larger than the condition number. Since many problems in machine learning and other areas are both ill-conditioned and involve large datasets, this indicates that without-replacement does not necessarily improve over with-replacement sampling for realistic iteration budgets. We show this by providing new lower and upper bounds which are tight (up to log factors), for quadratic problems with commuting quadratic terms, precisely quantifying the dependence on the problem parameters.
Itay Safran, Ohad Shamir
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TNASP: A Transformer-based NAS Predictor with a Self-evolution Framework
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Predictor-based Neural Architecture Search (NAS) continues to be an important topic because it aims to mitigate the time-consuming search procedure of traditional NAS methods. A promising performance predictor determines the quality of final searched models in predictor-based NAS methods. Most existing predictor-based methodologies train model-based predictors under a proxy dataset setting, which may suffer from the accuracy decline and the generalization problem, mainly due to their poor abilities to represent spatial topology information of the graph structure data. Besides the poor encoding for spatial topology information, these works did not take advantage of the temporal information such as historical evaluations during training. Thus, we propose a Transformer-based NAS performance predictor, associated with a Laplacian matrix based positional encoding strategy, which better represents topology information and achieves better performance than previous state-of-the-art methods on NAS-Bench-101, NAS-Bench-201, and DARTS search space. Furthermore, we also propose a self-evolution framework that can fully utilize temporal information as guidance. This framework iteratively involves the evaluations of previously predicted results as constraints into current optimization iteration, thus further improving the performance of our predictor. Such framework is model-agnostic, thus can enhance performance on various backbone structures for the prediction task. Our proposed method helped us rank 2nd among all teams in CVPR 2021 NAS Competition Track 2: Performance Prediction Track.
Shun Lu, Jixiang Li, Jianchao Tan, Sen Yang, Ji Liu
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Deep Extended Hazard Models for Survival Analysis
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Unlike standard prediction tasks, survival analysis requires modeling right censored data, which must be treated with care. While deep neural networks excel in traditional supervised learning, it remains unclear how to best utilize these models in survival analysis. A key question asks which data-generating assumptions of traditional survival models should be retained and which should be made more flexible via the function-approximating capabilities of neural networks. Rather than estimating the survival function targeted by most existing methods, we introduce a Deep Extended Hazard (DeepEH) model to provide a flexible and general framework for deep survival analysis. The extended hazard model includes the conventional Cox proportional hazards and accelerated failure time models as special cases, so DeepEH subsumes the popular Deep Cox proportional hazard (DeepSurv) and Deep Accelerated Failure Time (DeepAFT) models. We additionally provide theoretical support for the proposed DeepEH model by establishing consistency and convergence rate of the survival function estimator, which underscore the attractive feature that deep learning is able to detect low-dimensional structure of data in high-dimensional space. Numerical experiments also provide evidence that the proposed methods outperform existing statistical and deep learning approaches to survival analysis.
Qixian Zhong, Jonas W. Mueller, Jane-Ling Wang
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Analytic Study of Families of Spurious Minima in Two-Layer ReLU Neural Networks: A Tale of Symmetry II
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We study the optimization problem associated with fitting two-layer ReLU neural networks with respect to the squared loss, where labels are generated by a target network. We make use of the rich symmetry structure to develop a novel set of tools for studying families of spurious minima. In contrast to existing approaches which operate in limiting regimes, our technique directly addresses the nonconvex loss landscape for finite number of inputs $d$ and neurons $k$, and provides analytic, rather than heuristic, information. In particular, we derive analytic estimates for the loss at different minima, and prove that, modulo $O(d^{-1/2})$-terms, the Hessian spectrum concentrates near small positive constants, with the exception of $\Theta(d)$ eigenvalues which grow linearly with~$d$. We further show that the Hessian spectrum at global and spurious minima coincide to $O(d^{-1/2})$-order, thus challenging our ability to argue about statistical generalization through local curvature. Lastly, our technique provides the exact \emph{fractional} dimensionality at which families of critical points turn from saddles into spurious minima. This makes possible the study of the creation and the annihilation of spurious minima using powerful tools from equivariant bifurcation theory.
Yossi Arjevani, Michael Field
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CAM-GAN: Continual Adaptation Modules for Generative Adversarial Networks
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We present a continual learning approach for generative adversarial networks (GANs), by designing and leveraging parameter-efficient feature map transformations. Our approach is based on learning a set of global and task-specific parameters. The global parameters are fixed across tasks whereas the task-specific parameters act as local adapters for each task, and help in efficiently obtaining task-specific feature maps. Moreover, we propose an element-wise addition of residual bias in the transformed feature space, which further helps stabilize GAN training in such settings. Our approach also leverages task similarities based on the Fisher information matrix. Leveraging this knowledge from previous tasks significantly improves the model performance. In addition, the similarity measure also helps reduce the parameter growth in continual adaptation and helps to learn a compact model. In contrast to the recent approaches for continually-learned GANs, the proposed approach provides a memory-efficient way to perform effective continual data generation. Through extensive experiments on challenging and diverse datasets, we show that the feature-map-transformation approach outperforms state-of-the-art methods for continually-learned GANs, with substantially fewer parameters. The proposed method generates high-quality samples that can also improve the generative-replay-based continual learning for discriminative tasks.
Sakshi Varshney, Vinay Kumar Verma, P. K. Srijith, Lawrence Carin, Piyush Rai
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Efficient Neural Network Training via Forward and Backward Propagation Sparsification
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Sparse training is a natural idea to accelerate the training speed of deep neural networks and save the memory usage, especially since large modern neural networks are significantly over-parameterized. However, most of the existing methods cannot achieve this goal in practice because the chain rule based gradient (w.r.t. structure parameters) estimators adopted by previous methods require dense computation at least in the backward propagation step. This paper solves this problem by proposing an efficient sparse training method with completely sparse forward and backward passes. We first formulate the training process as a continuous minimization problem under global sparsity constraint. We then separate the optimization process into two steps, corresponding to weight update and structure parameter update. For the former step, we use the conventional chain rule, which can be sparse via exploiting the sparse structure. For the latter step, instead of using the chain rule based gradient estimators as in existing methods, we propose a variance reduced policy gradient estimator, which only requires two forward passes without backward propagation, thus achieving completely sparse training. We prove that the variance of our gradient estimator is bounded. Extensive experimental results on real-world datasets demonstrate that compared to previous methods, our algorithm is much more effective in accelerating the training process, up to an order of magnitude faster.
Xiao Zhou, Weizhong Zhang, Zonghao Chen, SHIZHE DIAO, Tong Zhang
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Deep Jump Learning for Off-Policy Evaluation in Continuous Treatment Settings
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We consider off-policy evaluation (OPE) in continuous treatment settings, such as personalized dose-finding. In OPE, one aims to estimate the mean outcome under a new treatment decision rule using historical data generated by a different decision rule. Most existing works on OPE focus on discrete treatment settings. To handle continuous treatments, we develop a novel estimation method for OPE using deep jump learning. The key ingredient of our method lies in adaptively discretizing the treatment space using deep discretization, by leveraging deep learning and multi-scale change point detection. This allows us to apply existing OPE methods in discrete treatments to handle continuous treatments. Our method is further justified by theoretical results, simulations, and a real application to Warfarin Dosing.
Hengrui Cai, Chengchun Shi, Rui Song, Wenbin Lu
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Finding Regions of Heterogeneity in Decision-Making via Expected Conditional Covariance
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Individuals often make different decisions when faced with the same context, due to personal preferences and background. For instance, judges may vary in their leniency towards certain drug-related offenses, and doctors may vary in their preference for how to start treatment for certain types of patients. With these examples in mind, we present an algorithm for identifying types of contexts (e.g., types of cases or patients) with high inter-decision-maker disagreement. We formalize this as a causal inference problem, seeking a region where the assignment of decision-maker has a large causal effect on the decision. Our algorithm finds such a region by maximizing an empirical objective, and we give a generalization bound for its performance. In a semi-synthetic experiment, we show that our algorithm recovers the correct region of heterogeneity accurately compared to baselines. Finally, we apply our algorithm to real-world healthcare datasets, recovering variation that aligns with existing clinical knowledge.
Justin Lim, Christina X Ji, Michael Oberst, Saul Blecker, Leora Horwitz, David Sontag
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Label Disentanglement in Partition-based Extreme Multilabel Classification
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Partition-based methods are increasingly-used in extreme multi-label classification (XMC) problems due to their scalability to large output spaces (e.g., millions or more). However, existing methods partition the large label space into mutually exclusive clusters, which is sub-optimal when labels have multi-modality and rich semantics. For instance, the label “Apple” can be the fruit or the brand name, which leads to the following research question: can we disentangle these multi-modal labels with non-exclusive clustering tailored for downstream XMC tasks? In this paper, we show that the label assignment problem in partition-based XMC can be formulated as an optimization problem, with the objective of maximizing precision rates. This leads to an efficient algorithm to form flexible and overlapped label clusters, and a method that can alternatively optimizes the cluster assignments and the model parameters for partition-based XMC. Experimental results on synthetic and real datasets show that our method can successfully disentangle multi-modal labels, leading to state-of-the-art (SOTA) results on four XMC benchmarks.
Xuanqing Liu, Wei-Cheng Chang, Hsiang-Fu Yu, Cho-Jui Hsieh, Inderjit Dhillon
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Leveraging SE(3) Equivariance for Self-supervised Category-Level Object Pose Estimation from Point Clouds
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Category-level object pose estimation aims to find 6D object poses of previously unseen object instances from known categories without access to object CAD models. To reduce the huge amount of pose annotations needed for category-level learning, we propose for the first time a self-supervised learning framework to estimate category-level 6D object pose from single 3D point clouds. During training, our method assumes no ground-truth pose annotations, no CAD models, and no multi-view supervision. The key to our method is to disentangle shape and pose through an invariant shape reconstruction module and an equivariant pose estimation module, empowered by SE(3) equivariant point cloud networks. The invariant shape reconstruction module learns to perform aligned reconstructions, yielding a category-level reference frame without using any annotations. In addition, the equivariant pose estimation module achieves category-level pose estimation accuracy that is comparable to some fully supervised methods. Extensive experiments demonstrate the effectiveness of our approach on both complete and partial depth point clouds from the ModelNet40 benchmark, and on real depth point clouds from the NOCS-REAL 275 dataset. The project page with code and visualizations can be found at: dragonlong.github.io/equi-pose.
Xiaolong Li, Yijia Weng, Li Yi, Leonidas J. Guibas, A. Abbott, Shuran Song, He Wang
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CROCS: Clustering and Retrieval of Cardiac Signals Based on Patient Disease Class, Sex, and Age
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The process of manually searching for relevant instances in, and extracting information from, clinical databases underpin a multitude of clinical tasks. Such tasks include disease diagnosis, clinical trial recruitment, and continuing medical education. This manual search-and-extract process, however, has been hampered by the growth of large-scale clinical databases and the increased prevalence of unlabelled instances. To address this challenge, we propose a supervised contrastive learning framework, CROCS, where representations of cardiac signals associated with a set of patient-specific attributes (e.g., disease class, sex, age) are attracted to learnable embeddings entitled clinical prototypes. We exploit such prototypes for both the clustering and retrieval of unlabelled cardiac signals based on multiple patient attributes. We show that CROCS outperforms the state-of-the-art method, DTC, when clustering and also retrieves relevant cardiac signals from a large database. We also show that clinical prototypes adopt a semantically meaningful arrangement based on patient attributes and thus confer a high degree of interpretability.
Dani Kiyasseh, Tingting Zhu, David Clifton
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ResT: An Efficient Transformer for Visual Recognition
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This paper presents an efficient multi-scale vision Transformer, called ResT, that capably served as a general-purpose backbone for image recognition. Unlike existing Transformer methods, which employ standard Transformer blocks to tackle raw images with a fixed resolution, our ResT have several advantages: (1) A memory-efficient multi-head self-attention is built, which compresses the memory by a simple depth-wise convolution, and projects the interaction across the attention-heads dimension while keeping the diversity ability of multi-heads; (2) Positional encoding is constructed as spatial attention, which is more flexible and can tackle with input images of arbitrary size without interpolation or fine-tune; (3) Instead of the straightforward tokenization at the beginning of each stage, we design the patch embedding as a stack of overlapping convolution operation with stride on the token map. We comprehensively validate ResT on image classification and downstream tasks. Experimental results show that the proposed ResT can outperform the recently state-of-the-art backbones by a large margin, demonstrating the potential of ResT as strong backbones. The code and models will be made publicly available at https://github.com/wofmanaf/ResT.
Qinglong Zhang, Yu-Bin Yang
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