NeurIPS 2022 Papers

We develop a rigorous mathematical analysis of zero-shot learning with attributes. In this setting, the goal is to label novel classes with no training data, only detectors for attributes and a description of how those attributes are correlated with the target classes, called the class-attribute matrix. We develop the first non-trivial lower bound on the worst-case error of the best map from attributes to classes for this setting, even with perfect attribute detectors. The lower bound characterizes the theoretical intrinsic difficulty of the zero-shot problem based on the available information---the class-attribute matrix---and the bound is practically computable from it. Our lower bound is tight, as we show that we can always find a randomized map from attributes to classes whose expected error is upper bounded by the value of the lower bound. We show that our analysis can be predictive of how standard zero-shot methods behave in practice, including which classes will likely be confused with others.

To enable large-scale machine learning in bandwidth-hungry environments such as wireless networks, significant progress has been made recently in designing communication-efficient federated learning algorithms with the aid of communication compression. On the other end, privacy preserving, especially at the client level, is another important desideratum that has not been addressed simultaneously in the presence of advanced communication compression techniques yet. In this paper, we propose a unified framework that enhances the communication efficiency of private federated learning with communication compression. Exploiting both general compression operators and local differential privacy, we first examine a simple algorithm that applies compression directly to differentially-private stochastic gradient descent, and identify its limitations. We then propose a unified framework SoteriaFL for private federated learning, which accommodates a general family of local gradient estimators including popular stochastic variance-reduced gradient methods and the state-of-the-art shifted compression scheme. We provide a comprehensive characterization of its performance trade-offs in terms of privacy, utility, and communication complexity, where SoteriaFL is shown to achieve better communication complexity without sacrificing privacy nor utility than other private federated learning algorithms without communication compression.

In this paper, we address the "dual problem" of multi-view scene reconstruction in which we utilize single-view images captured under different point lights to learn a neural scene representation. Different from existing single-view methods which can only recover a 2.5D scene representation (i.e., a normal / depth map for the visible surface), our method learns a neural reflectance field to represent the 3D geometry and BRDFs of a scene. Instead of relying on multi-view photo-consistency, our method exploits two information-rich monocular cues, namely shading and shadow, to infer scene geometry. Experiments on multiple challenging datasets show that our method is capable of recovering 3D geometry, including both visible and invisible parts, of a scene from single-view images. Thanks to the neural reflectance field representation, our method is robust to depth discontinuities. It supports applications like novel-view synthesis and relighting. Our code and model can be found at https://ywq.github.io/s3nerf.

Network quantization has gained increasing attention with the rapid growth of large pre-trained language models~(PLMs). However, most existing quantization methods for PLMs follow quantization-aware training~(QAT) that requires end-to-end training with full access to the entire dataset. Therefore, they suffer from slow training, large memory overhead, and data accessibility issues. In this paper, we study post-training quantization~(PTQ) of PLMs, and propose module-wise quantization error minimization~(MREM), an efficient solution to mitigate these issues. By partitioning the PLM into multiple modules, we minimize the reconstruction error incurred by quantization for each module. In addition, we design a new model parallel training strategy such that each module can be trained locally on separate computing devices without waiting for preceding modules, which brings nearly the theoretical training speed-up (e.g., $4\times$ on $4$ GPUs). Experiments on GLUE and SQuAD benchmarks show that our proposed PTQ solution not only performs close to QAT, but also enjoys significant reductions in training time, memory overhead, and data consumption.

Learning adversarially robust models require invariant predictions to a small neighborhood of its natural inputs, often encountering insufficient model capacity. There is research showing that learning multiple sub-models in an ensemble could mitigate this insufficiency, further improving the generalization and the robustness. However, the ensemble's voting-based strategy excludes the possibility that the true predictions remain with the minority. Therefore, this paper further improves the ensemble through a collaboration scheme---Synergy-of-Experts (SoE). Compared with the voting-based strategy, the SoE enables the possibility of correct predictions even if there exists a single correct sub-model. In SoE, every sub-model fits its specific vulnerability area and reserves the rest of the sub-models to fit other vulnerability areas, which effectively optimizes the utilization of the model capacity. Empirical experiments verify that SoE outperforms various ensemble methods against white-box and transfer-based adversarial attacks.

Understanding human tasks through video observations is an essential capability of intelligent agents. The challenges of such capability lie in the difficulty of generating a detailed understanding of situated actions, their effects on object states (\ie, state changes), and their causal dependencies. These challenges are further aggravated by the natural parallelism from multi-tasking and partial observations in multi-agent collaboration. Most prior works leverage action localization or future prediction as an \textit{indirect} metric for evaluating such task understanding from videos. To make a \textit{direct} evaluation, we introduce the EgoTaskQA benchmark that provides a single home for the crucial dimensions of task understanding through question answering on real-world egocentric videos. We meticulously design questions that target the understanding of (1) action dependencies and effects, (2) intents and goals, and (3) agents' beliefs about others. These questions are divided into four types, including descriptive (what status?), predictive (what will?), explanatory (what caused?), and counterfactual (what if?) to provide diagnostic analyses on \textit{spatial, temporal, and causal} understandings of goal-oriented tasks. We evaluate state-of-the-art video reasoning models on our benchmark and show their significant gaps between humans in understanding complex goal-oriented egocentric videos. We hope this effort would drive the vision community to move onward with goal-oriented video understanding and reasoning.

Equilibrium systems are a powerful way to express neural computations. As special cases, they include models of great current interest in both neuroscience and machine learning, such as deep neural networks, equilibrium recurrent neural networks, deep equilibrium models, or meta-learning. Here, we present a new principle for learning such systems with a temporally- and spatially-local rule. Our principle casts learning as a \emph{least-control} problem, where we first introduce an optimal controller to lead the system towards a solution state, and then define learning as reducing the amount of control needed to reach such a state. We show that incorporating learning signals within a dynamics as an optimal control enables transmitting activity-dependent credit assignment information, avoids storing intermediate states in memory, and does not rely on infinitesimal learning signals. In practice, our principle leads to strong performance matching that of leading gradient-based learning methods when applied to an array of problems involving recurrent neural networks and meta-learning. Our results shed light on how the brain might learn and offer new ways of approaching a broad class of machine learning problems.

One of the most effective continuous deep reinforcement learning algorithms is normalized advantage functions (NAF). The main idea of NAF consists in the approximation of the Q-function by functions quadratic with respect to the action variable. This idea allows to apply the algorithm to continuous reinforcement learning problems, but on the other hand, it brings up the question of classes of problems in which this approximation is acceptable. The presented paper describes one such class. We consider reinforcement learning problems obtained by the discretization of certain optimal control problems. Based on the idea of NAF, we present a new family of quadratic functions and prove its suitable approximation properties. Taking these properties into account, we provide several ways to improve NAF. The experimental results confirm the efficiency of our improvements.

Recent progress in vision Transformers exhibits great success in various tasks driven by the new spatial modeling mechanism based on dot-product self-attention. In this paper, we show that the key ingredients behind the vision Transformers, namely input-adaptive, long-range and high-order spatial interactions, can also be efficiently implemented with a convolution-based framework. We present the Recursive Gated Convolution ($\textit{g}^\textit{n}$Conv) that performs high-order spatial interactions with gated convolutions and recursive designs. The new operation is highly flexible and customizable, which is compatible with various variants of convolution and extends the two-order interactions in self-attention to arbitrary orders without introducing significant extra computation. $\textit{g}^\textit{n}$Conv can serve as a plug-and-play module to improve various vision Transformers and convolution-based models. Based on the operation, we construct a new family of generic vision backbones named HorNet. Extensive experiments on ImageNet classification, COCO object detection and ADE20K semantic segmentation show HorNet outperform Swin Transformers and ConvNeXt by a significant margin with similar overall architecture and training configurations. HorNet also shows favorable scalability to more training data and larger model sizes. Apart from the effectiveness in visual encoders, we also show $\textit{g}^\textit{n}$Conv can be applied to task-specific decoders and consistently improve dense prediction performance with less computation. Our results demonstrate that $\textit{g}^\textit{n}$Conv can be a new basic module for visual modeling that effectively combines the merits of both vision Transformers and CNNs. Code is available at https://github.com/raoyongming/HorNet.

Standard neural networks struggle to generalize under distribution shifts in computer vision. Fortunately, combining multiple networks can consistently improve out-of-distribution generalization. In particular, weight averaging (WA) strategies were shown to perform best on the competitive DomainBed benchmark; they directly average the weights of multiple networks despite their nonlinearities. In this paper, we propose Diverse Weight Averaging (DiWA), a new WA strategy whose main motivation is to increase the functional diversity across averaged models. To this end, DiWA averages weights obtained from several independent training runs: indeed, models obtained from different runs are more diverse than those collected along a single run thanks to differences in hyperparameters and training procedures. We motivate the need for diversity by a new bias-variance-covariance-locality decomposition of the expected error, exploiting similarities between WA and standard functional ensembling. Moreover, this decomposition highlights that WA succeeds when the variance term dominates, which we show occurs when the marginal distribution changes at test time. Experimentally, DiWA consistently improves the state of the art on DomainBed without inference overhead.

Over the past few years, numerous computational models have been developed to solve Optimal Transport (OT) in a stochastic setting, where distributions are represented by samples and where the goal is to find the closest map to the ground truth OT map, unknown in practical settings. So far, no quantitative criterion has yet been put forward to tune the parameter of these models and select maps that best approximate the ground truth. To perform this task, we propose to leverage the Brenier formulation of OT. Theoretically, we show that this formulation guarantees that, up to sharp a distortion parameter depending on the smoothness/strong convexity and a statistical deviation term, the selected map achieves the lowest quadratic error to the ground truth. This criterion, estimated via convex optimization, enables parameter tuning and model selection among entropic regularization of OT, input convex neural networks and smooth and strongly convex nearest-Brenier (SSNB) models. We also use this criterion to question the use of OT in Domain-Adaptation (DA). In a standard DA experiment, it enables us to identify the potential that is closest to the true OT map between the source and the target. Yet, we observe that this selected potential is far from being the one that performs best for the downstream transfer classification task.

We demonstrate for the first time that ill-conditioned, non-smooth, constrained distributions in very high dimension, upwards of 100,000, can be sampled efficiently \emph{in practice}. Our algorithm incorporates constraints into the Riemannian version of Hamiltonian Monte Carlo and maintains sparsity. This allows us to achieve a mixing rate independent of smoothness and condition numbers. On benchmark data sets in systems biology and linear programming, our algorithm outperforms existing packages by orders of magnitude. In particular, we achieve a 1,000-fold speed-up for sampling from the largest published human metabolic network (RECON3D). Our package has been incorporated into a popular Bioinformatics library.

Bayesian optimization (BO) is a popular method for efficiently inferring optima of an expensive black-box function via a sequence of queries. Existing information-theoretic BO procedures aim to make queries that most reduce the uncertainty about optima, where the uncertainty is captured by Shannon entropy. However, an optimal measure of uncertainty would, ideally, factor in how we intend to use the inferred quantity in some downstream procedure. In this paper, we instead consider a generalization of Shannon entropy from work in statistical decision theory (DeGroot 1962, Rao 1984), which contains a broad class of uncertainty measures parameterized by a problem-specific loss function corresponding to a downstream task. We first show that special cases of this entropy lead to popular acquisition functions used in BO procedures such as knowledge gradient, expected improvement, and entropy search. We then show how alternative choices for the loss yield a flexible family of acquisition functions that can be customized for use in novel optimization settings. Additionally, we develop gradient-based methods to efficiently optimize our proposed family of acquisition functions, and demonstrate strong empirical performance on a diverse set of sequential decision making tasks, including variants of top-$k$ optimization, multi-level set estimation, and sequence search.

The application of machine learning methods in quantum chemistry has enabled the study of numerous chemical phenomena, which are computationally intractable with traditional ab-initio methods. However, some quantum mechanical properties of molecules and materials depend on non-local electronic effects, which are often neglected due to the difficulty of modeling them efficiently. This work proposes a modified attention mechanism adapted to the underlying physics, which allows to recover the relevant non-local effects. Namely, we introduce spherical harmonic coordinates (SPHCs) to reflect higher-order geometric information for each atom in a molecule, enabling a non-local formulation of attention in the SPHC space. Our proposed model So3krates - a self-attention based message passing neural network - uncouples geometric information from atomic features, making them independently amenable to attention mechanisms. Thereby we construct spherical filters, which extend the concept of continuous filters in Euclidean space to SPHC space and serve as foundation for a spherical self-attention mechanism. We show that in contrast to other published methods, So3krates is able to describe non-local quantum mechanical effects over arbitrary length scales. Further, we find evidence that the inclusion of higher-order geometric correlations increases data efficiency and improves generalization. So3krates matches or exceeds state-of-the-art performance on popular benchmarks, notably, requiring a significantly lower number of parameters (0.25 - 0.4x) while at the same time giving a substantial speedup (6 - 14x for training and 2 - 11x for inference) compared to other models.

While language tasks are naturally expressed in a single, unified, modeling framework, i.e., generating sequences of tokens, this has not been the case in computer vision. As a result, there is a proliferation of distinct architectures and loss functions for different vision tasks. In this work we show that a diverse set of "core" computer vision tasks can also be unified if formulated in terms of a shared pixel-to-sequence interface. We focus on four tasks, namely, object detection, instance segmentation, keypoint detection, and image captioning, all with diverse types of outputs, e.g., bounding boxes or dense masks. Despite that, by formulating the output of each task as a sequence of discrete tokens with a unified interface, we show that one can train a neural network with a single model architecture and loss function on all these tasks, with no task-specific customization. To solve a specific task, we use a short prompt as task description, and the sequence output adapts to the prompt so it can produce task-specific output. We show that such a model can achieve competitive performance compared to well-established task-specific models.

We revisit the problem of learning mixtures of spherical Gaussians. Given samples from a mixture $\frac{1}{k}\sum_{j=1}^{k}\mathcal{N}(\mu_j, I_d)$, the goal is to estimate the means $\mu_1, \mu_2, \ldots, \mu_k \in \mathbb{R}^d$ up to a small error. The hardness of this learning problem can be measured by the \emph{separation} $\Delta$ defined as the minimum distance between all pairs of means. Regev and Vijayaraghavan (2017) showed that with $\Delta = \Omega(\sqrt{\log k})$ separation, the means can be learned using $\mathrm{poly}(k, d)$ samples, whereas super-polynomially many samples are required if $\Delta = o(\sqrt{\log k})$ and $d = \Omega(\log k)$. This leaves open the low-dimensional regime where $d = o(\log k)$. In this work, we give an algorithm that efficiently learns the means in $d = O(\log k/\log\log k)$ dimensions under separation $d/\sqrt{\log k}$ (modulo doubly logarithmic factors). This separation is strictly smaller than $\sqrt{\log k}$, and is also shown to be necessary. Along with the results of Regev and Vijayaraghavan (2017), our work almost pins down the critical separation threshold at which efficient parameter learning becomes possible for spherical Gaussian mixtures. More generally, our algorithm runs in time $\mathrm{poly}(k)\cdot f(d, \Delta, \epsilon)$, and is thus fixed-parameter tractable in parameters $d$, $\Delta$ and $\epsilon$. Our approach is based on estimating the Fourier transform of the mixture at carefully chosen frequencies, and both the algorithm and its analysis are simple and elementary. Our positive results can be easily extended to learning mixtures of non-Gaussian distributions, under a mild condition on the Fourier spectrum of the distribution.

Recent findings demonstrate that modern neural networks trained by full-batch gradient descent typically enter a regime called Edge of Stability (EOS). In this regime, the sharpness, i.e., the maximum Hessian eigenvalue, first increases to the value 2/(step size) (the progressive sharpening phase) and then oscillates around this value (the EOS phase). This paper aims to analyze the GD dynamics and the sharpness along the optimization trajectory. Our analysis naturally divides the GD trajectory into four phases depending on the change in the sharpness value. We empirically identify the norm of output layer weight as an interesting indicator of the sharpness dynamics. Based on this empirical observation, we attempt to theoretically and empirically explain the dynamics of various key quantities that lead to the change of the sharpness in each phase of EOS. Moreover, based on certain assumptions, we provide a theoretical proof of the sharpness behavior in the EOS regime in two-layer fully-connected linear neural networks. We also discuss some other empirical findings and the limitation of our theoretical results.

Concept bottleneck models (CBMs) enhance the interpretability of their predictions by first predicting high-level concepts given features, and subsequently predicting outcomes on the basis of these concepts. Recently, it was demonstrated that training the label predictor directly on the probabilities produced by the concept predictor as opposed to the ground-truth concepts, improves label predictions. However, this results in corruptions in the concept predictions that impact the concept accuracy as well as our ability to intervene on the concepts -- a key proposed benefit of CBMs. In this work, we investigate and address two issues with CBMs that cause this disparity in performance: having an insufficient concept set and using inexpressive concept predictor. With our modifications, CBMs become competitive in terms of predictive performance, with models that otherwise leak additional information in the concept probabilities, while having dramatically increased concept accuracy and intervention accuracy.

We study the fundamental limits to the expressive power of neural networks. Given two sets $F$, $G$ of real-valued functions, we first prove a general lower bound on how well functions in $F$ can be approximated in $L^p(\mu)$ norm by functions in $G$, for any $p \geq 1$ and any probability measure $\mu$. The lower bound depends on the packing number of $F$, the range of $F$, and the fat-shattering dimension of $G$. We then instantiate this bound to the case where $G$ corresponds to a piecewise-polynomial feedforward neural network, and describe in details the application to two sets $F$: Hölder balls and multivariate monotonic functions. Beside matching (known or new) upper bounds up to log factors, our lower bounds shed some light on the similarities or differences between approximation in $L^p$ norm or in sup norm, solving an open question by DeVore et al. (2021). Our proof strategy differs from the sup norm case and uses a key probability result of Mendelson (2002).