NeurIPS 2020 Papers

In recent years, graph neural networks (GNNs) have become the de facto tool for performing machine learning tasks on graphs. Most GNNs belong to the family of message passing neural networks (MPNNs). These models employ an iterative neighborhood aggregation scheme to update vertex representations. Then, to compute vector representations of graphs, they aggregate the representations of the vertices using some permutation invariant function. One would expect the hidden layers of a GNN to be composed of parameters that take the form of graphs. However, this is not the case for MPNNs since their update procedure is parameterized by fully-connected layers. In this paper, we propose a more intuitive and transparent architecture for graph-structured data, so-called Random Walk Graph Neural Network (RWNN). The first layer of the model consists of a number of trainable ``hidden graphs'' which are compared against the input graphs using a random walk kernel to produce graph representations. These representations are then passed on to a fully-connected neural network which produces the output. The employed random walk kernel is differentiable, and therefore, the proposed model is end-to-end trainable. We demonstrate the model's transparency on synthetic datasets. Furthermore, we empirically evaluate the model on graph classification datasets and show that it achieves competitive performance.

Random Reshuffling (RR) is an algorithm for minimizing finite-sum functions that utilizes iterative gradient descent steps in conjunction with data reshuffling. Often contrasted with its sibling Stochastic Gradient Descent (SGD), RR is usually faster in practice and enjoys significant popularity in convex and non-convex optimization. The convergence rate of RR has attracted substantial attention recently and, for strongly convex and smooth functions, it was shown to converge faster than SGD if 1) the stepsize is small, 2) the gradients are bounded, and 3) the number of epochs is large. We remove these 3 assumptions, improve the dependence on the condition number from $\kappa^2$ to $\kappa$ (resp.\ from $\kappa$ to $\sqrt{\kappa}$) and, in addition, show that RR has a different type of variance. We argue through theory and experiments that the new variance type gives an additional justification of the superior performance of RR. To go beyond strong convexity, we present several results for non-strongly convex and non-convex objectives. We show that in all cases, our theory improves upon existing literature. Finally, we prove fast convergence of the Shuffle-Once (SO) algorithm, which shuffles the data only once, at the beginning of the optimization process. Our theory for strongly convex objectives tightly matches the known lower bounds for both RR and SO and substantiates the common practical heuristic of shuffling once or only a few times. As a byproduct of our analysis, we also get new results for the Incremental Gradient algorithm (IG), which does not shuffle the data at all.

Recent work on automated data augmentation strategies has led to state-of-the-art results in image classification and object detection. An obstacle to a large-scale adoption of these methods is that they require a separate and expensive search phase. A common way to overcome the expense of the search phase was to use a smaller proxy task. However, it was not clear if the optimized hyperparameters found on the proxy task are also optimal for the actual task. In this work, we rethink the process of designing automated data augmentation strategies. We find that while previous work required searching for many augmentation parameters (e.g. magnitude and probability) independently for each augmentation operation, it is sufficient to only search for a single parameter that jointly controls all operations. Hence, we propose a search space that is vastly smaller (e.g. from 10^32 to 10^2 potential candidates). The smaller search space significantly reduces the computational expense of automated data augmentation and permits the removal of a separate proxy task. Despite the simplifications, our method achieves state-of-the-art performance on CIFAR-10, SVHN, and ImageNet. On EfficientNet-B7, we achieve 84.7% accuracy, a 1.0% increase over baseline augmentation and a 0.4% improvement over AutoAugment on the ImageNet dataset. On object detection, the same method used for classification leads to 1.0-1.3% improvement over the baseline augmentation method on COCO. Code is available online.

Keypoint detector and descriptor are two main components of point cloud registration. Previous learning-based keypoint detectors rely on saliency estimation for each point or farthest point sample (FPS) for candidate points selection, which are inefficient and not applicable in large scale scenes. This paper proposes Random Sample-based Keypoint Detector and Descriptor Network (RSKDD-Net) for large scale point cloud registration. The key idea is using random sampling to efficiently select candidate points and using a learning-based method to jointly generate keypoints and corresponding descriptors. To tackle the information loss of random sampling, we exploit a novel random dilation cluster strategy to enlarge the receptive field of each sampled point and an attention mechanism to aggregate the positions and features of neighbor points. Furthermore, we propose a matching loss to train the descriptor in a weakly supervised manner. Extensive experiments on two large scale outdoor LiDAR datasets show that the proposed RSKDD-Net achieves state-of-the-art performance with more than 15 times faster than existing methods. Our code is available at https://github.com/ispc-lab/RSKDD-Net.

Offline methods for reinforcement learning have a potential to help bridge the gap between reinforcement learning research and real-world applications. They make it possible to learn policies from offline datasets, thus overcoming concerns associated with online data collection in the real-world, including cost, safety, or ethical concerns. In this paper, we propose a benchmark called RL Unplugged to evaluate and compare offline RL methods. RL Unplugged includes data from a diverse range of domains including games e.g., Atari benchmark) and simulated motor control problems (e.g., DM Control Suite). The datasets include domains that are partially or fully observable, use continuous or discrete actions, and have stochastic vs. deterministic dynamics. We propose detailed evaluation protocols for each domain in RL Unplugged and provide an extensive analysis of supervised learning and offline RL methods using these protocols. We will release data for all our tasks and open-source all algorithms presented in this paper. We hope that our suite of benchmarks will increase the reproducibility of experiments and make it possible to study challenging tasks with a limited computational budget, thus making RL research both more systematic and more accessible across the community. Moving forward, we view RL Unplugged as a living benchmark suite that will evolve and grow with datasets contributed by the research community and ourselves. Our project page is available on github.

We present RELATE, a model that learns to generate physically plausible scenes and videos of multiple interacting objects. Similar to other generative approaches, RELATE is trained end-to-end on raw, unlabeled data. RELATE combines an object-centric GAN formulation with a model that explicitly accounts for correlations between individual objects. This allows the model to generate realistic scenes and videos from a physically-interpretable parameterization. Furthermore, we show that modeling the object correlation is necessary to learn to disentangle object positions and identity. We find that RELATE is also amenable to physically realistic scene editing and that it significantly outperforms prior art in object-centric scene generation in both synthetic (CLEVR, ShapeStacks) and real-world data (cars). In addition, in contrast to state-of-the-art methods in object-centric generative modeling, RELATE also extends naturally to dynamic scenes and generates videos of high visual fidelity. Source code, datasets and more results are available at http://geometry.cs.ucl.ac.uk/projects/2020/relate/.

Reward decomposition, which aims to decompose the full reward into multiple sub-rewards, has been proven beneficial for improving sample efficiency in reinforcement learning. Existing works on discovering reward decomposition are mostly policy dependent, which constrains diverse or disentangled behavior between different policies induced by different sub-rewards. In this work, we propose a set of novel reward decomposition principles by constraining uniqueness and compactness of different state features/representations relevant to different sub-rewards. Our principles encourage sub-rewards with minimal relevant features, while maintaining the uniqueness of each sub-reward. We derive a deep learning algorithm based on our principle, and term our method as RD$^2$, since we learn reward decomposition and representation decomposition jointly. RD$^2$ is evaluated on a toy case, where we have the true reward structure, and some Atari environments where reward structure exists but is unknown to the agent to demonstrate the effectiveness of RD$^2$ against existing reward decomposition methods.

Research on continual learning has led to a variety of approaches to mitigating catastrophic forgetting in feed-forward classification networks. Until now surprisingly little attention has been focused on continual learning of recurrent models applied to problems like image captioning. In this paper we take a systematic look at continual learning of LSTM-based models for image captioning. We propose an attention-based approach that explicitly accommodates the transient nature of vocabularies in continual image captioning tasks -- i.e. that task vocabularies are not disjoint. We call our method Recurrent Attention to Transient Tasks (RATT), and also show how to adapt continual learning approaches based on weight regularization and knowledge distillation to recurrent continual learning problems. We apply our approaches to incremental image captioning problem on two new continual learning benchmarks we define using the MS-COCO and Flickr30 datasets. Our results demonstrate that RATT is able to sequentially learn five captioning tasks while incurring no forgetting of previously learned ones.

Recent semantic segmentation methods model the relationship between pixels to construct the contextual representations. In this paper, we introduce the \emph{Region Attention Network} (RANet), a novel attention network for modeling the relationship between object regions. RANet divides the image into object regions, where we select representative information. In contrast to the previous methods, RANet configures the information pathways between the pixels in different regions, enabling the region interaction to exchange the regional context for enhancing all of the pixels in the image. We train the construction of object regions, the selection of the representative regional contents, the configuration of information pathways and the context exchange between pixels, jointly, to improve the segmentation accuracy. We extensively evaluate our method on the challenging segmentation benchmarks, demonstrating that RANet effectively helps to achieve the state-of-the-art results.

In real-world settings, we repeatedly decide whether to pursue better conditions or to keep things unchanged. Examples include time investment, employment, entertainment preferences etc. How do we make such decisions? To address this question, the field of behavioral ecology has developed foraging paradigms – the model settings in which human and non-human subjects decided when to leave depleting food resources. Foraging theory, represented by the marginal value theorem (MVT), provided accurate average-case stay-or-leave rules consistent with behaviors of subjects towards depleting resources. Yet, the algorithms underlying individual choices and ways to learn such algorithms remained unclear. In this work, we build interpretable deep actor-critic models to show that R-learning – a reinforcement learning (RL) approach balancing short-term and long-term rewards – is consistent with the way real-life agents may learn making stay-or-leave decisions. Specifically we show that deep R-learning predicts choice patterns consistent with behavior of mice in foraging tasks; its TD error, the training signal in our model, correlates with dopamine activity of ventral tegmental area (VTA) neurons in the brain. Our theoretical and experimental results show that deep R-learning agents leave depleting reward resources when reward intake rates fall below their exponential averages over past trials. This individual-case decision rule, learned within RL and matching the MVT on average, bridges the gap between these major approaches to sequential decision-making. We further argue that our proposed decision rule, resulting from R-learning and consistent with animals’ behavior, is Bayes optimal in dynamic real-world environments. Overall, our work links available sequential decision-making theories including the MVT, RL, and Bayesian approaches to propose the learning mechanism and an optimal decision rule for sequential stay-or-leave choices in natural environments.

We present Quantized Variational Inference, a new algorithm for Evidence Lower Bound minimization. We show how Optimal Voronoi Tesselation produces variance free gradients for Evidence Lower Bound (ELBO) optimization at the cost of introducing asymptotically decaying bias. Subsequently, we propose a Richardson extrapolation type method to improve this bound. We show that using the Quantized Variational Inference framework leads to fast convergence for both score function and the reparametrized gradient estimator at a comparable computational cost. Finally, we propose several experiments to assess the performance of our method and its limitations.

In this paper, we investigate the limiting behavior of a continuous-time counterpart of the Stochastic Gradient Descent (SGD) algorithm applied to two-layer overparameterized neural networks, as the number or neurons (i.e., the size of the hidden layer) $N \to \plusinfty$. Following a probabilistic approach, we show `propagation of chaos' for the particle system defined by this continuous-time dynamics under different scenarios, indicating that the statistical interaction between the particles asymptotically vanishes. In particular, we establish quantitative convergence with respect to $N$ of any particle to a solution of a mean-field McKean-Vlasov equation in the metric space endowed with the Wasserstein distance. In comparison to previous works on the subject, we consider settings in which the sequence of stepsizes in SGD can potentially depend on the number of neurons and the iterations. We then identify two regimes under which different mean-field limits are obtained, one of them corresponding to an implicitly regularized version of the minimization problem at hand. We perform various experiments on real datasets to validate our theoretical results, assessing the existence of these two regimes on classification problems and illustrating our convergence results.

Approximate inference techniques are the cornerstone of probabilistic methods based on Gaussian process priors. Despite this, most work approximately optimizes standard divergence measures such as the Kullback-Leibler (KL) divergence, which lack the basic desiderata for the task at hand, while chiefly offering merely technical convenience. We develop a new approximate inference method for Gaussian process models which overcomes the technical challenges arising from abandoning these convenient divergences. Our method---dubbed Quantile Propagation (QP)---is similar to expectation propagation (EP) but minimizes the $L_2$ Wasserstein distance (WD) instead of the KL divergence. The WD exhibits all the required properties of a distance metric, while respecting the geometry of the underlying sample space. We show that QP matches quantile functions rather than moments as in EP and has the same mean update but a smaller variance update than EP, thereby alleviating EP's tendency to over-estimate posterior variances. Crucially, despite the significant complexity of dealing with the WD, QP has the same favorable locality property as EP, and thereby admits an efficient algorithm. Experiments on classification and Poisson regression show that QP outperforms both EP and variational Bayes.

The increasing impact of black box models, and particularly of unsupervised ones, comes with an increasing interest in tools to understand and interpret them. In this paper, we consider in particular how to characterise visual groupings discovered automatically by deep neural networks, starting with state-of-the-art clustering methods. In some cases, clusters readily correspond to an existing labelled dataset. However, often they do not, yet they still maintain an "intuitive interpretability''. We introduce two concepts, visual learnability and describability, that can be used to quantify the interpretability of arbitrary image groupings, including unsupervised ones. The idea is to measure (1) how well humans can learn to reproduce a grouping by measuring their ability to generalise from a small set of visual examples (learnability) and (2) whether the set of visual examples can be replaced by a succinct, textual description (describability). By assessing human annotators as classifiers, we remove the subjective quality of existing evaluation metrics. For better scalability, we finally propose a class-level captioning system to generate descriptions for visual groupings automatically and compare it to human annotators using the describability metric.

In this paper, we explore the limits of Microsoft Floating Point (MSFP), a new class of datatypes developed for production cloud-scale inferencing on custom hardware. Through the co-evolution of hardware design and algorithms, MSFP achieves accuracy comparable to or better than industry standards Bfloat16 and INT8 at 3x and 4x lower cost, respectively. MSFP incurs negligible impact to accuracy (<1%), requires no changes to the model topology, and is integrated with a mature cloud production pipeline. MSFP supports various classes of deep learning models including CNNs, RNNs, and Transformers without modification. Finally, we characterize the accuracy and implementation of MSFP and demonstrate its efficacy on a number of production scenarios, including models that power major online scenarios such as web search, question-answering, and image classification.

Pruning the parameters of deep neural networks has generated intense interest due to potential savings in time, memory and energy both during training and at test time. Recent works have identified, through an expensive sequence of training and pruning cycles, the existence of winning lottery tickets or sparse trainable subnetworks at initialization. This raises a foundational question: can we identify highly sparse trainable subnetworks at initialization, without ever training, or indeed without ever looking at the data? We provide an affirmative answer to this question through theory driven algorithm design. We first mathematically formulate and experimentally verify a conservation law that explains why existing gradient-based pruning algorithms at initialization suffer from layer-collapse, the premature pruning of an entire layer rendering a network untrainable. This theory also elucidates how layer-collapse can be entirely avoided, motivating a novel pruning algorithm Iterative Synaptic Flow Pruning (SynFlow). This algorithm can be interpreted as preserving the total flow of synaptic strengths through the network at initialization subject to a sparsity constraint. Notably, this algorithm makes no reference to the training data and consistently competes with or outperforms existing state-of-the-art pruning algorithms at initialization over a range of models (VGG and ResNet), datasets (CIFAR-10/100 and Tiny ImageNet), and sparsity constraints (up to 99.99 percent). Thus our data-agnostic pruning algorithm challenges the existing paradigm that, at initialization, data must be used to quantify which synapses are important.

Pruning has become a very powerful and effective technique to compress and accelerate modern neural networks. Existing pruning methods can be grouped into two categories: filter pruning (FP) and weight pruning (WP). FP wins at hardware compatibility but loses at the compression ratio compared with WP. To converge the strength of both methods, we propose to prune the filter in the filter. Specifically, we treat a filter F, whose size is C

We show that the matrix perspective function, which is jointly convex in the Cartesian product of a standard Euclidean vector space and a conformal space of symmetric matrices, has a proximity operator in an almost closed form. The only implicit part is to solve a semismooth, univariate root finding problem. We uncover the connection between our problem of study and the matrix nearness problem. Through this connection, we propose a quadratically convergent Newton algorithm for the root finding problem.Experiments verify that the evaluation of the proximity operator requires at most 8 Newton steps, taking less than 5s for 2000 by 2000 matrices on a standard laptop. Using this routine as a building block, we demonstrate the usefulness of the studied proximity operator in constrained maximum likelihood estimation of Gaussian mean and covariance, peudolikelihood-based graphical model selection, and a matrix variant of the scaled lasso problem.

We study reinforcement learning in continuous state and action spaces endowed with a metric. We provide a refined analysis of the algorithm of Sinclair, Banerjee, and Yu (2019) and show that its regret scales with the zooming dimension of the instance. This parameter, which originates in the bandit literature, captures the size of the subsets of near optimal actions and is always smaller than the covering dimension used in previous analyses. As such, our results are the first provably adaptive guarantees for reinforcement learning in metric spaces.