NeurIPS 2021 Papers

Many recent AI architectures are inspired by zero-sum games, however, the behavior of their dynamics is still not well understood. Inspired by this, we study standard gradient descent ascent (GDA) dynamics in a specific class of non-convex non-concave zero-sum games, that we call hidden zero-sum games. In this class, players control the inputs of smooth but possibly non-linear functions whose outputs are being applied as inputs to a convex-concave game. Unlike general zero-sum games, these games have a well-defined notion of solution; outcomes that implement the von-Neumann equilibrium of the ``hidden" convex-concave game. We provide conditions under which vanilla GDA provably converges not merely to local Nash, but the actual von-Neumann solution. If the hidden game lacks strict convexity properties, GDA may fail to converge to any equilibrium, however, by applying standard regularization techniques we can prove convergence to a von-Neumann solution of a slightly perturbed zero-sum game. Our convergence results are non-local despite working in the setting of non-convex non-concave games. Critically, under proper assumptions we combine the Center-Stable Manifold Theorem along with novel type of initialization dependent Lyapunov functions to prove that almost all initial conditions converge to the solution. Finally, we discuss diverse applications of our framework ranging from generative adversarial networks to evolutionary biology.

Reasoning in the real world is not divorced from situations. How to capture the present knowledge from surrounding situations and perform reasoning accordingly is crucial and challenging for machine intelligence. This paper introduces a new benchmark that evaluates the situated reasoning ability via situation abstraction and logic-grounded question answering for real-world videos, called Situated Reasoning in Real-World Videos (STAR). This benchmark is built upon the real-world videos associated with human actions or interactions, which are naturally dynamic, compositional, and logical. The dataset includes four types of questions, including interaction, sequence, prediction, and feasibility. We represent the situations in real-world videos by hyper-graphs connecting extracted atomic entities and relations (e.g., actions, persons, objects, and relationships). Besides visual perception, situated reasoning also requires structured situation comprehension and logical reasoning. Questions and answers are procedurally generated. The answering logic of each question is represented by a functional program based on a situation hyper-graph. We compare various existing video reasoning models and find that they all struggle on this challenging situated reasoning task. We further propose a diagnostic neuro-symbolic model that can disentangle visual perception, situation abstraction, language understanding, and functional reasoning to understand the challenges of this benchmark.

We study a quadrature, proposed by Ermakov and Zolotukhin in the sixties, through the lens of kernel methods. The nodes of this quadrature rule follow the distribution of a determinantal point process, while the weights are defined through a linear system, similarly to the optimal kernel quadrature. In this work, we show how these two classes of quadrature are related, and we prove a tractable formula of the expected value of the squared worst-case integration error on the unit ball of an RKHS of the former quadrature. In particular, this formula involves the eigenvalues of the corresponding kernel and leads to improving on the existing theoretical guarantees of the optimal kernel quadrature with determinantal point processes.

We study the sample complexity of teaching, termed as "teaching dimension" (TD) in the literature, for the learning-with-equivalence-queries (LwEQ) paradigm. More concretely, we consider a learner who asks equivalence queries (i.e., "is the queried hypothesis the target hypothesis?"), and a teacher responds either "yes" or "no" along with a counterexample to the queried hypothesis. This learning paradigm has been extensively studied when the learner receives worst-case or random counterexamples; in this paper, we consider the optimal teacher who picks best-case counterexamples to teach the target hypothesis within a hypothesis class. For this optimal teacher, we introduce LwEQ-TD, a notion of TD capturing the teaching complexity (i.e., the number of queries made) in this paradigm. We show that a significant reduction in queries can be achieved with best-case counterexamples, in contrast to worst-case or random counterexamples, for different hypothesis classes. Furthermore, we establish new connections of LwEQ-TD to the well-studied notions of TD in the learning-from-samples paradigm.

Multimodal regression is a fundamental task, which integrates the information from different sources to improve the performance of follow-up applications. However, existing methods mainly focus on improving the performance and often ignore the confidence of prediction for diverse situations. In this study, we are devoted to trustworthy multimodal regression which is critical in cost-sensitive domains. To this end, we introduce a novel Mixture of Normal-Inverse Gamma distributions (MoNIG) algorithm, which efficiently estimates uncertainty in principle for adaptive integration of different modalities and produces a trustworthy regression result. Our model can be dynamically aware of uncertainty for each modality, and also robust for corrupted modalities. Furthermore, the proposed MoNIG ensures explicitly representation of (modality-specific/global) epistemic and aleatoric uncertainties, respectively. Experimental results on both synthetic and different real-world data demonstrate the effectiveness and trustworthiness of our method on various multimodal regression tasks (e.g., temperature prediction for superconductivity, relative location prediction for CT slices, and multimodal sentiment analysis).

We consider the exploration-exploitation trade-off in reinforcement learning and show that an agent endowed with an exponential epistemic-risk-seeking utility function explores efficiently, as measured by regret. The state-action values induced by the exponential utility satisfy a Bellman recursion, so we can use dynamic programming to compute them. We call the resulting algorithm K-learning (for knowledge) and the risk-seeking utility ensures that the associated state-action values (K-values) are optimistic for the expected optimal Q-values under the posterior. The exponential utility function induces a Boltzmann exploration policy for which the 'temperature' parameter is equal to the risk-seeking parameter and is carefully controlled to yield a Bayes regret bound of $\tilde O(L^{3/2} \sqrt{S A T})$, where $L$ is the time horizon, $S$ is the number of states, $A$ is the number of actions, and $T$ is the total number of elapsed timesteps. We conclude with a numerical example demonstrating that K-learning is competitive with other state-of-the-art algorithms in practice.

We study the online problem of minimizing power consumption in systems with multiple power-saving states. During idle periods of unknown lengths, an algorithm has to choose between power-saving states of different energy consumption and wake-up costs. We develop a learning-augmented online algorithm that makes decisions based on (potentially inaccurate) predicted lengths of the idle periods. The algorithm's performance is near-optimal when predictions are accurate and degrades gracefully with increasing prediction error, with a worst-case guarantee almost identical to the optimal classical online algorithm for the problem. A key ingredient in our approach is a new algorithm for the online ski-rental problem in the learning augmented setting with tight dependence on the prediction error. We support our theoretical findings with experiments.

Modern kernel-based two-sample tests have shown great success in distinguishing complex, high-dimensional distributions by learning appropriate kernels (or, as a special case, classifiers). Previous work, however, has assumed that many samples are observed from both of the distributions being distinguished. In realistic scenarios with very limited numbers of data samples, it can be challenging to identify a kernel powerful enough to distinguish complex distributions. We address this issue by introducing the problem of meta two-sample testing (M2ST), which aims to exploit (abundant) auxiliary data on related tasks to find an algorithm that can quickly identify a powerful test on new target tasks. We propose two specific algorithms for this task: a generic scheme which improves over baselines, and a more tailored approach which performs even better. We provide both theoretical justification and empirical evidence that our proposed meta-testing schemes outperform learning kernel-based tests directly from scarce observations, and identify when such schemes will be successful.

We consider a stochastic bandit problem with a possibly infinite number of arms. We write $p^*$ for the proportion of optimal arms and $\Delta$ for the minimal mean-gap between optimal and sub-optimal arms. We characterize the optimal learning rates both in the cumulative regret setting, and in the best-arm identification setting in terms of the problem parameters $T$ (the budget), $p^*$ and $\Delta$. For the objective of minimizing the cumulative regret, we provide a lower bound of order $\Omega(\log(T)/(p^*\Delta))$ and a UCB-style algorithm with matching upper bound up to a factor of $\log(1/\Delta)$. Our algorithm needs $p^*$ to calibrate its parameters, and we prove that this knowledge is necessary, since adapting to $p^*$ in this setting is impossible. For best-arm identification we also provide a lower bound of order $\Omega(\exp(-cT\Delta^2p^*))$ on the probability of outputting a sub-optimal arm where $c>0$ is an absolute constant. We also provide an elimination algorithm with an upper bound matching the lower bound up to a factor of order $\log(T)$ in the exponential, and that does not need $p^*$ or $\Delta$ as parameter. Our results apply directly to the three related problems of competing against the $j$-th best arm, identifying an $\epsilon$ good arm, and finding an arm with mean larger than a quantile of a known order.

Machine learning-based program analyses have recently shown the promise of integrating formal and probabilistic reasoning towards aiding software development. However, in the absence of large annotated corpora, training these analyses is challenging. Towards addressing this, we present BugLab, an approach for self-supervised learning of bug detection and repair. BugLab co-trains two models: (1) a detector model that learns to detect and repair bugs in code, (2) a selector model that learns to create buggy code for the detector to use as training data. A Python implementation of BugLab improves by 30% upon baseline methods on a test dataset of 2374 real-life bugs and finds 19 previously unknown bugs in open-source software.

Reasoning about 3D scenes from their 2D image projections is one of the core problems in computer vision. Solutions to this inverse and ill-posed problem typically involve a search for models that best explain observed image data. Notably, images depend both on the properties of observed scenes and on the process of image formation. Hence, if optimization techniques should be used to explain images, it is crucial to design differentable functions for the projection of 3D scenes into images, also known as differentiable rendering. Previous approaches to differentiable rendering typically replace non-differentiable operations by smooth approximations, impacting the subsequent 3D estimation. In this paper, we take a more general approach and study differentiable renderers through the prism of randomized optimization and the related notion of perturbed optimizers. In particular, our work highlights the link between some well-known differentiable renderer formulations and randomly smoothed optimizers, and introduces differentiable perturbed renderers. We also propose a variance reduction mechanism to alleviate the computational burden inherent to perturbed optimizers and introduce an adaptive scheme to automatically adjust the smoothing parameters of the rendering process. We apply our method to 3D scene reconstruction and demonstrate its advantages on the tasks of 6D pose estimation and 3D mesh reconstruction. By providing informative gradients that can be used as a strong supervisory signal, we demonstrate the benefits of perturbed renderers to obtain more accurate solutions when compared to the state-of-the-art alternatives using smooth gradient approximations.

Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or subgraph-sampling techniques are proposed to alleviate the "neighbor explosion" problem by considering only a small subset of messages passed to the nodes in a mini-batch. However, sampling-based methods are difficult to apply to GNNs that utilize many-hops-away or global context each layer, show unstable performance for different tasks and datasets, and do not speed up model inference. We propose a principled and fundamentally different approach, VQ-GNN, a universal framework to scale up any convolution-based GNNs using Vector Quantization (VQ) without compromising the performance. In contrast to sampling-based techniques, our approach can effectively preserve all the messages passed to a mini-batch of nodes by learning and updating a small number of quantized reference vectors of global node representations, using VQ within each GNN layer. Our framework avoids the "neighbor explosion" problem of GNNs using quantized representations combined with a low-rank version of the graph convolution matrix. We show that such a compact low-rank version of the gigantic convolution matrix is sufficient both theoretically and experimentally. In company with VQ, we design a novel approximated message passing algorithm and a nontrivial back-propagation rule for our framework. Experiments on various types of GNN backbones demonstrate the scalability and competitive performance of our framework on large-graph node classification and link prediction benchmarks.

Reinforcement learning (RL) promises to enable autonomous acquisition of complex behaviors for diverse agents. However, the success of current reinforcement learning algorithms is predicated on an often under-emphasised requirement -- each trial needs to start from a fixed initial state distribution. Unfortunately, resetting the environment to its initial state after each trial requires substantial amount of human supervision and extensive instrumentation of the environment which defeats the goal of autonomous acquisition of complex behaviors. In this work, we propose Value-accelerated Persistent Reinforcement Learning (VaPRL), which generates a curriculum of initial states such that the agent can bootstrap on the success of easier tasks to efficiently learn harder tasks. The agent also learns to reach the initial states proposed by the curriculum, minimizing the reliance on human interventions into the learning. We observe that VaPRL reduces the interventions required by three orders of magnitude compared to episodic RL while outperforming prior state-of-the art methods for reset-free RL both in terms of sample efficiency and asymptotic performance on a variety of simulated robotics problems.

Contrastive learning approaches have achieved great success in learning visual representations with few labels of the target classes. That implies a tantalizing possibility of scaling them up beyond a curated “seed" benchmark, to incorporating more unlabeled images from the internet-scale external sources to enhance its performance. However, in practice, larger amount of unlabeled data will require more computing resources due to the bigger model size and longer training needed. Moreover, open-world unlabeled data usually follows an implicit long-tail class or attribute distribution, many of which also do not belong to the target classes. Blindly leveraging all unlabeled data hence can lead to the data imbalance as well as distraction issues. This motivates us to seek a principled approach to strategically select unlabeled data from an external source, in order to learn generalizable, balanced and diverse representations for relevant classes. In this work, we present an open-world unlabeled data sampling framework called Model-Aware K-center (MAK), which follows three simple principles: (1) tailness, which encourages sampling of examples from tail classes, by sorting the empirical contrastive loss expectation (ECLE) of samples over random data augmentations; (2) proximity, which rejects the out-of-distribution outliers that may distract training; and (3) diversity, which ensures diversity in the set of sampled examples. Empirically, using ImageNet-100-LT (without labels) as the seed dataset and two “noisy” external data sources, we demonstrate that MAK can consistently improve both the overall representation quality and the class balancedness of the learned features, as evaluated via linear classifier evaluation on full-shot and few-shot settings. The code is available at: https://github.com/VITA-Group/MAK.

Convolutional Neural Networks (CNNs) are the go-to model for computer vision. Recently, attention-based networks, such as the Vision Transformer, have also become popular. In this paper we show that while convolutions and attention are both sufficient for good performance, neither of them are necessary. We present MLP-Mixer, an architecture based exclusively on multi-layer perceptrons (MLPs). MLP-Mixer contains two types of layers: one with MLPs applied independently to image patches (i.e. "mixing" the per-location features), and one with MLPs applied across patches (i.e. "mixing" spatial information). When trained on large datasets, or with modern regularization schemes, MLP-Mixer attains competitive scores on image classification benchmarks, with pre-training and inference cost comparable to state-of-the-art models. We hope that these results spark further research beyond the realms of well established CNNs and Transformers.

Current theoretical results on optimization trajectories of neural networks trained by gradient descent typically have the form of rigorous but potentially loose bounds on the loss values. In the present work we take a different approach and show that the learning trajectory of a wide network in a lazy training regime can be characterized by an explicit asymptotic at large training times. Specifically, the leading term in the asymptotic expansion of the loss behaves as a power law $L(t) \sim C t^{-\xi}$ with exponent $\xi$ expressed only through the data dimension, the smoothness of the activation function, and the class of function being approximated. Our results are based on spectral analysis of the integral operator representing the linearized evolution of a large network trained on the expected loss. Importantly, the techniques we employ do not require a specific form of the data distribution, for example Gaussian, thus making our findings sufficiently universal.

Efficiently approximating local curvature information of the loss function is a useful tool for the optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, limiting their practicality. In this work, we investigate matrix-free approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. The first algorithm we propose is tailored towards network compression and can compute the IHVP for dimension $d$ given a fixed set of $m$ rank-one matrices using $O(dm^2)$ precomputation, $O(dm)$ cost for computing the IHVP and query cost $O(m)$ for computing any single element of the inverse Hessian approximation. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding window of optimization steps, and a given gradient direction. We give an algorithm with cost $O(dm + m^2)$ for computing the IHVP and $O(dm + m^3)$ for adding or removing any gradient from the sliding window. We show that both algorithms yield competitive results for network pruning and optimization, respectively, with significantly lower computational overhead relative to existing second-order methods.

Unsupervised domain adaptation has attracted appealing academic attentions by transferring knowledge from labeled source domain to unlabeled target domain. However, most existing methods assume the source data are drawn from a single domain, which cannot be successfully applied to explore complementarily transferable knowledge from multiple source domains with large distribution discrepancies. Moreover, they require access to source data during training, which are inefficient and unpractical due to privacy preservation and memory storage. To address these challenges, we develop a novel Confident-Anchor-induced multi-source-free Domain Adaptation (CAiDA) model, which is a pioneer exploration of knowledge adaptation from multiple source domains to the unlabeled target domain without any source data, but with only pre-trained source models. Specifically, a source-specific transferable perception module is proposed to automatically quantify the contributions of the complementary knowledge transferred from multi-source domains to the target domain. To generate pseudo labels for the target domain without access to the source data, we develop a confident-anchor-induced pseudo label generator by constructing a confident anchor group and assigning each unconfident target sample with a semantic-nearest confident anchor. Furthermore, a class-relationship-aware consistency loss is proposed to preserve consistent inter-class relationships by aligning soft confusion matrices across domains. Theoretical analysis answers why multi-source domains are better than a single source domain, and establishes a novel learning bound to show the effectiveness of exploiting multi-source domains. Experiments on several representative datasets illustrate the superiority of our proposed CAiDA model. The code is available at https://github.com/Learning-group123/CAiDA.

Inferring the parameters of a stochastic model based on experimental observations is central to the scientific method. A particularly challenging setting is when the model is strongly indeterminate, i.e. when distinct sets of parameters yield identical observations. This arises in many practical situations, such as when inferring the distance and power of a radio source (is the source close and weak or far and strong?) or when estimating the amplifier gain and underlying brain activity of an electrophysiological experiment. In this work, we present hierarchical neural posterior estimation (HNPE), a novel method for cracking such indeterminacy by exploiting additional information conveyed by an auxiliary set of observations sharing global parameters. Our method extends recent developments in simulation-based inference (SBI) based on normalizing flows to Bayesian hierarchical models. We validate quantitatively our proposal on a motivating example amenable to analytical solutions and then apply it to invert a well known non-linear model from computational neuroscience, using both simulated and real EEG data.