NeurIPS 2021 Papers

Grounded language acquisition is a major area of research combining aspects of natural language processing, computer vision, and signal processing, compounded by domain issues requiring sample efficiency and other deployment constraints. In this work, we present a multimodal dataset of RGB+depth objects with spoken as well as textual descriptions. We analyze the differences between the two types of descriptive language and our experiments demonstrate that the different modalities affect learning. This will enable researchers studying the intersection of robotics, NLP, and HCI to better investigate how the multiple modalities of image, depth, text, speech, and transcription interact, as well as how differences in the vernacular of these modalities impact results.

Self-supervised representation learning solves auxiliary prediction tasks (known as pretext tasks), that do not require labeled data, to learn semantic representations. These pretext tasks are created solely using the input features, such as predicting a missing image patch, recovering the color channels of an image from context, or predicting missing words, yet predicting this \textit{known} information helps in learning representations effective for downstream prediction tasks. This paper posits a mechanism based on approximate conditional independence to formalize how solving certain pretext tasks can learn representations that provably decrease the sample complexity of downstream supervised tasks. Formally, we quantify how the approximate independence between the components of the pretext task (conditional on the label and latent variables) allows us to learn representations that can solve the downstream task with drastically reduced sample complexity by just training a linear layer on top of the learned representation.

Nonparametric regression on complex domains has been a challenging task as most existing methods, such as ensemble models based on binary decision trees, are not designed to account for intrinsic geometries and domain boundaries. This article proposes a Bayesian additive regression spanning trees (BAST) model for nonparametric regression on manifolds, with an emphasis on complex constrained domains or irregularly shaped spaces embedded in Euclidean spaces. Our model is built upon a random spanning tree manifold partition model as each weak learner, which is capable of capturing any irregularly shaped spatially contiguous partitions while respecting intrinsic geometries and domain boundary constraints. Utilizing many nice properties of spanning tree structures, we design an efficient Bayesian inference algorithm. Equipped with a soft prediction scheme, BAST is demonstrated to significantly outperform other competing methods in simulation experiments and in an application to the chlorophyll data in Aral Sea, due to its strong local adaptivity to different levels of smoothness.

Learning in the brain is poorly understood and learning rules that respect biological constraints, yet yield deep hierarchical representations, are still unknown. Here, we propose a learning rule that takes inspiration from neuroscience and recent advances in self-supervised deep learning. Learning minimizes a simple layer-specific loss function and does not need to back-propagate error signals within or between layers. Instead, weight updates follow a local, Hebbian, learning rule that only depends on pre- and post-synaptic neuronal activity, predictive dendritic input and widely broadcasted modulation factors which are identical for large groups of neurons. The learning rule applies contrastive predictive learning to a causal, biological setting using saccades (i.e. rapid shifts in gaze direction). We find that networks trained with this self-supervised and local rule build deep hierarchical representations of images, speech and video.

Understanding the generalization of deep neural networks is one of the most important tasks in deep learning. Although much progress has been made, theoretical error bounds still often behave disparately from empirical observations. In this work, we develop margin-based generalization bounds, where the margins are normalized with optimal transport costs between independent random subsets sampled from the training distribution. In particular, the optimal transport cost can be interpreted as a generalization of variance which captures the structural properties of the learned feature space. Our bounds robustly predict the generalization error, given training data and network parameters, on large scale datasets. Theoretically, we demonstrate that the concentration and separation of features play crucial roles in generalization, supporting empirical results in the literature.

Perhaps the single most important use case for differential privacy is to privately answer numerical queries, which is usually achieved by adding noise to the answer vector. The central question is, therefore, to understand which noise distribution optimizes the privacy-accuracy trade-off, especially when the dimension of the answer vector is high. Accordingly, an extensive literature has been dedicated to the question and the upper and lower bounds have been successfully matched up to constant factors (Bun et al., 2018; Steinke & Ullman, 2017). In this paper, we take a novel approach to address this important optimality question. We first demonstrate an intriguing central limit theorem phenomenon in the high-dimensional regime. More precisely, we prove that a mechanism is approximately Gaussian Differentially Private (Dong et al., 2021) if the added noise satisfies certain conditions. In particular, densities proportional to $\mathrm{e}^{-\|x\|_p^\alpha}$, where $\|x\|_p$ is the standard $\ell_p$-norm, satisfies the conditions. Taking this perspective, we make use of the Cramer--Rao inequality and show an "uncertainty principle"-style result: the product of privacy parameter and the $\ell_2$-loss of the mechanism is lower bounded by the dimension. Furthermore, the Gaussian mechanism achieves the constant-sharp optimal privacy-accuracy trade-off among all such noises. Our findings are corroborated by numerical experiments.

Given an unnormalized target distribution we want to obtain approximate samples from it and a tight lower bound on its (log) normalization constant log Z. Annealed Importance Sampling (AIS) with Hamiltonian MCMC is a powerful method that can be used to do this. Its main drawback is that it uses non-differentiable transition kernels, which makes tuning its many parameters hard. We propose a framework to use an AIS-like procedure with Uncorrected Hamiltonian MCMC, called Uncorrected Hamiltonian Annealing. Our method leads to tight and differentiable lower bounds on log Z. We show empirically that our method yields better performances than other competing approaches, and that the ability to tune its parameters using reparameterization gradients may lead to large performance improvements.

Bayesian structure learning allows inferring Bayesian network structure from data while reasoning about the epistemic uncertainty---a key element towards enabling active causal discovery and designing interventions in real world systems. In this work, we propose a general, fully differentiable framework for Bayesian structure learning (DiBS) that operates in the continuous space of a latent probabilistic graph representation. Contrary to existing work, DiBS is agnostic to the form of the local conditional distributions and allows for joint posterior inference of both the graph structure and the conditional distribution parameters. This makes our formulation directly applicable to posterior inference of nonstandard Bayesian network models, e.g., with nonlinear dependencies encoded by neural networks. Using DiBS, we devise an efficient, general purpose variational inference method for approximating distributions over structural models. In evaluations on simulated and real-world data, our method significantly outperforms related approaches to joint posterior inference.

With the proliferation of machine learning applications in the real world, the demand for explaining machine learning predictions continues to grow especially in high-stakes fields. Recent studies have found that interpretation methods can be sensitive and unreliable, where the interpretations can be disturbed by perturbations or transformations of input data. To address this issue, we propose to learn robust interpretation through transformation equivariant regularization in a self-interpretable model. The resulting model is capable of capturing valid interpretation that is equivariant to geometric transformations. Moreover, since our model is self-interpretable, it enables faithful interpretations that reflect the true predictive mechanism. Unlike existing self-interpretable models, which usually sacrifice expressive power for the sake of interpretation quality, our model preserves the high expressive capability comparable to the state-of-the-art deep learning models in complex tasks, while providing visualizable and faithful high-quality interpretation. We compare with various related methods and validate the interpretation quality and consistency of our model.

When machine learning systems meet real world applications, accuracy is only one of several requirements. In this paper, we assay a complementary perspective originating from the increasing availability of pre-trained and regularly improving state-of-the-art models. While new improved models develop at a fast pace, downstream tasks vary more slowly or stay constant. Assume that we have a large unlabelled data set for which we want to maintain accurate predictions. Whenever a new and presumably better ML models becomes available, we encounter two problems: (i) given a limited budget, which data points should be re-evaluated using the new model?; and (ii) if the new predictions differ from the current ones, should we update? Problem (i) is about compute cost, which matters for very large data sets and models. Problem (ii) is about maintaining consistency of the predictions, which can be highly relevant for downstream applications; our demand is to avoid negative flips, i.e., changing correct to incorrect predictions. In this paper, we formalize the Prediction Update Problem and present an efficient probabilistic approach as answer to the above questions. In extensive experiments on standard classification benchmark data sets, we show that our method outperforms alternative strategies along key metrics for backward-compatible prediction updates.

Existing works have generated explanations for deep neural network decisions to provide insights into model behavior. We observe that these explanations can also be used to identify concepts that caused misclassifications. This allows us to understand the possible limitations of the dataset used to train the model, particularly the under-represented regions in the dataset. This work proposes a framework that utilizes concept-based explanations to automatically augment the dataset with new images that can cover these under-represented regions to improve the model performance. The framework is able to use the explanations generated by both interpretable classifiers and post-hoc explanations from black-box classifiers. Experiment results demonstrate that the proposed approach improves the accuracy of classifiers compared to state-of-the-art augmentation strategies.

Self-Driven Particles (SDP) describe a category of multi-agent systems common in everyday life, such as flocking birds and traffic flows. In a SDP system, each agent pursues its own goal and constantly changes its cooperative or competitive behaviors with its nearby agents. Manually designing the controllers for such SDP system is time-consuming, while the resulting emergent behaviors are often not realistic nor generalizable. Thus the realistic simulation of SDP systems remains challenging. Reinforcement learning provides an appealing alternative for automating the development of the controller for SDP. However, previous multi-agent reinforcement learning (MARL) methods define the agents to be teammates or enemies before hand, which fail to capture the essence of SDP where the role of each agent varies to be cooperative or competitive even within one episode. To simulate SDP with MARL, a key challenge is to coordinate agents' behaviors while still maximizing individual objectives. Taking traffic simulation as the testing bed, in this work we develop a novel MARL method called Coordinated Policy Optimization (CoPO), which incorporates social psychology principle to learn neural controller for SDP. Experiments show that the proposed method can achieve superior performance compared to MARL baselines in various metrics. Noticeably the trained vehicles exhibit complex and diverse social behaviors that improve performance and safety of the population as a whole. Demo video and source code are available at: https://decisionforce.github.io/CoPO/

Temporal information is essential to learning effective policies with Reinforcement Learning (RL). However, current state-of-the-art RL algorithms either assume that such information is given as part of the state space or, when learning from pixels, use the simple heuristic of frame-stacking to implicitly capture temporal information present in the image observations. This heuristic is in contrast to the current paradigm in video classification architectures, which utilize explicit encodings of temporal information through methods such as optical flow and two-stream architectures to achieve state-of-the-art performance. Inspired by leading video classification architectures, we introduce the Flow of Latents for Reinforcement Learning (Flare), a network architecture for RL that explicitly encodes temporal information through latent vector differences. We show that Flare recovers optimal performance in state-based RL without explicit access to the state velocity, solely with positional state information. Flare is the most sample efficient model-free pixel-based RL algorithm on the DeepMind Control suite when evaluated on the 500k and 1M step benchmarks across 5 challenging control tasks, and, when used with Rainbow DQN, outperforms the competitive baseline on Atari games at 100M time step benchmark across 8 challenging games.

We study first-order optimization algorithms for computing the barycenter of Gaussian distributions with respect to the optimal transport metric. Although the objective is geodesically non-convex, Riemannian gradient descent empirically converges rapidly, in fact faster than off-the-shelf methods such as Euclidean gradient descent and SDP solvers. This stands in stark contrast to the best-known theoretical results, which depend exponentially on the dimension. In this work, we prove new geodesic convexity results which provide stronger control of the iterates, yielding a dimension-free convergence rate. Our techniques also enable the analysis of two related notions of averaging, the entropically-regularized barycenter and the geometric median, providing the first convergence guarantees for these problems.

As black box explanations are increasingly being employed to establish model credibility in high stakes settings, it is important to ensure that these explanations are accurate and reliable. However, prior work demonstrates that explanations generated by state-of-the-art techniques are inconsistent, unstable, and provide very little insight into their correctness and reliability. In addition, these methods are also computationally inefficient, and require significant hyper-parameter tuning. In this paper, we address the aforementioned challenges by developing a novel Bayesian framework for generating local explanations along with their associated uncertainty. We instantiate this framework to obtain Bayesian versions of LIME and KernelSHAP which output credible intervals for the feature importances, capturing the associated uncertainty. The resulting explanations not only enable us to make concrete inferences about their quality (e.g., there is a 95% chance that the feature importance lies within the given range), but are also highly consistent and stable. We carry out a detailed theoretical analysis that leverages the aforementioned uncertainty to estimate how many perturbations to sample, and how to sample for faster convergence. This work makes the first attempt at addressing several critical issues with popular explanation methods in one shot, thereby generating consistent, stable, and reliable explanations with guarantees in a computationally efficient manner. Experimental evaluation with multiple real world datasets and user studies demonstrate that the efficacy of the proposed framework.

The first order derivative of a data density can be estimated efficiently by denoising score matching, and has become an important component in many applications, such as image generation and audio synthesis. Higher order derivatives provide additional local information about the data distribution and enable new applications. Although they can be estimated via automatic differentiation of a learned density model, this can amplify estimation errors and is expensive in high dimensional settings. To overcome these limitations, we propose a method to directly estimate high order derivatives (scores) of a data density from samples. We first show that denoising score matching can be interpreted as a particular case of Tweedie’s formula. By leveraging Tweedie’s formula on higher order moments, we generalize denoising score matching to estimate higher order derivatives. We demonstrate empirically that models trained with the proposed method can approximate second order derivatives more efficiently and accurately than via automatic differentiation. We show that our models can be used to quantify uncertainty in denoising and to improve the mixing speed of Langevin dynamics via Ozaki discretization for sampling synthetic data and natural images.

Gradient-based meta-learning and hyperparameter optimization have seen significant progress recently, enabling practical end-to-end training of neural networks together with many hyperparameters. Nevertheless, existing approaches are relatively expensive as they need to compute second-order derivatives and store a longer computational graph. This cost prevents scaling them to larger network architectures. We present EvoGrad, a new approach to meta-learning that draws upon evolutionary techniques to more efficiently compute hypergradients. EvoGrad estimates hypergradient with respect to hyperparameters without calculating second-order gradients, or storing a longer computational graph, leading to significant improvements in efficiency. We evaluate EvoGrad on three substantial recent meta-learning applications, namely cross-domain few-shot learning with feature-wise transformations, noisy label learning with Meta-Weight-Net and low-resource cross-lingual learning with meta representation transformation. The results show that EvoGrad significantly improves efficiency and enables scaling meta-learning to bigger architectures such as from ResNet10 to ResNet34.

We propose FMMformers, a class of efficient and flexible transformers inspired by the celebrated fast multipole method (FMM) for accelerating interacting particle simulation. FMM decomposes particle-particle interaction into near-field and far-field components and then performs direct and coarse-grained computation, respectively. Similarly, FMMformers decompose the attention into near-field and far-field attention, modeling the near-field attention by a banded matrix and the far-field attention by a low-rank matrix. Computing the attention matrix for FMMformers requires linear complexity in computational time and memory footprint with respect to the sequence length. In contrast, standard transformers suffer from quadratic complexity. We analyze and validate the advantage of FMMformers over the standard transformer on the Long Range Arena and language modeling benchmarks. FMMformers can even outperform the standard transformer in terms of accuracy by a significant margin. For instance, FMMformers achieve an average classification accuracy of $60.74\%$ over the five Long Range Arena tasks, which is significantly better than the standard transformer's average accuracy of $58.70\%$.

To help agents reason about scenes in terms of their building blocks, we wish to extract the compositional structure of any given scene (in particular, the configuration and characteristics of objects comprising the scene). This problem is especially difficult when scene structure needs to be inferred while also estimating the agent’s location/viewpoint, as the two variables jointly give rise to the agent’s observations. We present an unsupervised variational approach to this problem. Leveraging the shared structure that exists across different scenes, our model learns to infer two sets of latent representations from RGB video input alone: a set of "object" latents, corresponding to the time-invariant, object-level contents of the scene, as well as a set of "frame" latents, corresponding to global time-varying elements such as viewpoint. This factorization of latents allows our model, SIMONe, to represent object attributes in an allocentric manner which does not depend on viewpoint. Moreover, it allows us to disentangle object dynamics and summarize their trajectories as time-abstracted, view-invariant, per-object properties. We demonstrate these capabilities, as well as the model's performance in terms of view synthesis and instance segmentation, across three procedurally generated video datasets.