NeurIPS 2022 Papers

We present the problem of reinforcement learning with exogenous termination. We define the Termination Markov Decision Process (TerMDP), an extension of the MDP framework, in which episodes may be interrupted by an external non-Markovian observer. This formulation accounts for numerous real-world situations, such as a human interrupting an autonomous driving agent for reasons of discomfort. We learn the parameters of the TerMDP and leverage the structure of the estimation problem to provide state-wise confidence bounds. We use these to construct a provably-efficient algorithm, which accounts for termination, and bound its regret. Motivated by our theoretical analysis, we design and implement a scalable approach, which combines optimism (w.r.t. termination) and a dynamic discount factor, incorporating the termination probability. We deploy our method on high-dimensional driving and MinAtar benchmarks. Additionally, we test our approach on human data in a driving setting. Our results demonstrate fast convergence and significant improvement over various baseline approaches.

Designing an incentive-compatible auction mechanism that maximizes the auctioneer's revenue while minimizes the bidders’ ex-post regret is an important yet intricate problem in economics. Remarkable progress has been achieved through learning the optimal auction mechanism by neural networks. In this paper, we consider the popular additive valuation and symmetric valuation setting; i.e., the valuation for a set of items is defined as the sum of all items’ valuations in the set, and the valuation distribution is invariant when the bidders and/or the items are permutated. We prove that permutation-equivariant neural networks have significant advantages: the permutation-equivariance decreases the expected ex-post regret, improves the model generalizability, while maintains the expected revenue invariant. This implies that the permutation-equivariance helps approach the theoretically optimal dominant strategy incentive compatible condition, and reduces the required sample complexity for desired generalization. Extensive experiments fully support our theory. To our best knowledge, this is the first work towards understanding the benefits of permutation-equivariance in auction mechanisms.

Self-training based semi-supervised learning algorithms have enabled the learning of highly accurate deep neural networks, using only a fraction of labeled data. However, the majority of work on self-training has focused on the objective of improving accuracy whereas practical machine learning systems can have complex goals (e.g. maximizing the minimum of recall across classes, etc.) that are non-decomposable in nature. In this work, we introduce the Cost-Sensitive Self-Training (CSST) framework which generalizes the self-training-based methods for optimizing non-decomposable metrics. We prove that our framework can better optimize the desired non-decomposable metric utilizing unlabeled data, under similar data distribution assumptions made for the analysis of self-training. Using the proposed CSST framework, we obtain practical self-training methods (for both vision and NLP tasks) for optimizing different non-decomposable metrics using deep neural networks. Our results demonstrate that CSST achieves an improvement over the state-of-the-art in majority of the cases across datasets and objectives.

We propose a very general framework for deriving rigorous bounds on the approximation error for physics-informed neural networks (PINNs) and operator learning architectures such as DeepONets and FNOs as well as for physics-informed operator learning. These bounds guarantee that PINNs and (physics-informed) DeepONets or FNOs will efficiently approximate the underlying solution or solution-operator of generic partial differential equations (PDEs). Our framework utilizes existing neural network approximation results to obtain bounds on more-involved learning architectures for PDEs. We illustrate the general framework by deriving the first rigorous bounds on the approximation error of physics-informed operator learning and by showing that PINNs (and physics-informed DeepONets and FNOs) mitigate the curse of dimensionality in approximating nonlinear parabolic PDEs.

We propose a general framework to design posterior sampling methods for model-based RL. We show that the proposed algorithms can be analyzed by reducing regret to Hellinger distance in conditional probability estimation. We further show that optimistic posterior sampling can control this Hellinger distance, when we measure model error via data likelihood. This technique allows us to design and analyze unified posterior sampling algorithms with state-of-the-art sample complexity guarantees for many model-based RL settings. We illustrate our general result in many special cases, demonstrating the versatility of our framework.

Sequential Monte Carlo (SMC) is an inference algorithm for state space models that approximates the posterior by sampling from a sequence of target distributions. The target distributions are often chosen to be the filtering distributions, but these ignore information from future observations, leading to practical and theoretical limitations in inference and model learning. We introduce SIXO, a method that instead learns target distributions that approximate the smoothing distributions, incorporating information from all observations. The key idea is to use density ratio estimation to fit functions that warp the filtering distributions into the smoothing distributions. We then use SMC with these learned targets to define a variational objective for model and proposal learning. SIXO yields provably tighter log marginal lower bounds and offers more accurate posterior inferences and parameter estimates in a variety of domains.

Allowing agents to share information through communication is crucial for solving complex tasks in multi-agent reinforcement learning. In this work, we consider the question of whether a given communication protocol can express an arbitrary policy. By observing that many existing protocols can be viewed as instances of graph neural networks (GNNs), we demonstrate the equivalence of joint action selection to node labelling. With standard GNN approaches provably limited in their expressive capacity, we draw from existing GNN literature and consider augmenting agent observations with: (1) unique agent IDs and (2) random noise. We provide a theoretical analysis as to how these approaches yield universally expressive communication, and also prove them capable of targeting arbitrary sets of actions for identical agents. Empirically, these augmentations are found to improve performance on tasks where expressive communication is required, whilst, in general, the optimal communication protocol is found to be task-dependent.

Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the experimental setting, the empirical results in different research papers are often not comparable and even not reproducible, leading to unfair comparisons. Secondly, GraphNAS often needs extensive computations, which makes it highly inefficient and inaccessible to researchers without access to large-scale computation. To solve these challenges, we propose NAS-Bench-Graph, a tailored benchmark that supports unified, reproducible, and efficient evaluations for GraphNAS. Specifically, we construct a unified, expressive yet compact search space, covering 26,206 unique graph neural network (GNN) architectures and propose a principled evaluation protocol. To avoid unnecessary repetitive training, we have trained and evaluated all of these architectures on nine representative graph datasets, recording detailed metrics including train, validation, and test performance in each epoch, the latency, the number of parameters, etc. Based on our proposed benchmark, the performance of GNN architectures can be directly obtained by a look-up table without any further computation, which enables fair, fully reproducible, and efficient comparisons. To demonstrate its usage, we make in-depth analyses of our proposed NAS-Bench-Graph, revealing several interesting findings for GraphNAS. We also showcase how the benchmark can be easily compatible with GraphNAS open libraries such as AutoGL and NNI. To the best of our knowledge, our work is the first benchmark for graph neural architecture search.

The ability to detect anomaly has long been recognized as an inherent human ability, yet to date, practical AI solutions to mimic such capability have been lacking. This lack of progress can be attributed to several factors. To begin with, the distribution of ``abnormalities'' is intractable. Anything outside of a given normal population is by definition an anomaly. This explains why a large volume of work in this area has been dedicated to modeling the normal distribution of a given task followed by detecting deviations from it. This direction is however unsatisfying as it would require modeling the normal distribution of every task that comes along, which includes tedious data collection. In this paper, we report our work aiming to handle these issues. To deal with the intractability of abnormal distribution, we leverage Energy Based Model (EBM). EBMs learn to associates low energies to correct values and higher energies to incorrect values. At its core, the EBM employs Langevin Dynamics (LD) in generating these incorrect samples based on an iterative optimization procedure, alleviating the intractable problem of modeling the world of anomalies. Then, in order to avoid training an anomaly detector for every task, we utilize an adaptive sparse coding layer. Our intention is to design a plug and play feature that can be used to quickly update what is normal during inference time. Lastly, to avoid tedious data collection, this mentioned update of the sparse coding layer needs to be achievable with just a few shots. Here, we employ a meta learning scheme that simulates such a few shot setting during training. We support our findings with strong empirical evidence.

Continual learning (CL) learns a sequence of tasks incrementally. There are two popular CL settings, class incremental learning (CIL) and task incremental learning (TIL). A major challenge of CL is catastrophic forgetting (CF). While a number of techniques are already available to effectively overcome CF for TIL, CIL remains to be highly challenging. So far, little theoretical study has been done to provide a principled guidance on how to solve the CIL problem. This paper performs such a study. It first shows that probabilistically, the CIL problem can be decomposed into two sub-problems: Within-task Prediction (WP) and Task-id Prediction (TP). It further proves that TP is correlated with out-of-distribution (OOD) detection, which connects CIL and OOD detection. The key conclusion of this study is that regardless of whether WP and TP or OOD detection are defined explicitly or implicitly by a CIL algorithm, good WP and good TP or OOD detection are necessary and sufficient for good CIL performances. Additionally, TIL is simply WP. Based on the theoretical result, new CIL methods are also designed, which outperform strong baselines in both CIL and TIL settings by a large margin.

State-of-the-art 3D-aware generative models rely on coordinate-based MLPs to parameterize 3D radiance fields. While demonstrating impressive results, querying an MLP for every sample along each ray leads to slow rendering. Therefore, existing approaches often render low-resolution feature maps and process them with an upsampling network to obtain the final image. Albeit efficient, neural rendering often entangles viewpoint and content such that changing the camera pose results in unwanted changes of geometry or appearance. Motivated by recent results in voxel-based novel view synthesis, we investigate the utility of sparse voxel grid representations for fast and 3D-consistent generative modeling in this paper. Our results demonstrate that monolithic MLPs can indeed be replaced by 3D convolutions when combining sparse voxel grids with progressive growing, free space pruning and appropriate regularization. To obtain a compact representation of the scene and allow for scaling to higher voxel resolutions, our model disentangles the foreground object (modeled in 3D) from the background (modeled in 2D). In contrast to existing approaches, our method requires only a single forward pass to generate a full 3D scene. It hence allows for efficient rendering from arbitrary viewpoints while yielding 3D consistent results with high visual fidelity. Code and models are available at https://github.com/autonomousvision/voxgraf.

Identifying the effects of new interventions from data is a significant challenge found across a wide range of the empirical sciences. A well-known strategy for identifying such effects is Pearl's front-door (FD) criterion. The definition of the FD criterion is declarative, only allowing one to decide whether a specific set satisfies the criterion. In this paper, we present algorithms for finding and enumerating possible sets satisfying the FD criterion in a given causal diagram. These results are useful in facilitating the practical applications of the FD criterion for causal effects estimation and helping scientists to select estimands with desired properties, e.g., based on cost, feasibility of measurement, or statistical power.

Despite the success of practical solvers in various NP-complete domains such as SAT and CSP as well as using deep reinforcement learning to tackle two-player games such as Go, certain classes of PSPACE-hard planning problems have remained out of reach. Even carefully designed domain-specialized solvers can fail quickly due to the exponential search space on hard instances. Recent works that combine traditional search methods, such as best-first search and Monte Carlo tree search, with Deep Neural Networks' (DNN) heuristics have shown promising progress and can solve a significant number of hard planning instances beyond specialized solvers. To better understand why these approaches work, we studied the interplay of the policy and value networks of DNN-based best-first search on Sokoban and show the surprising effectiveness of the policy network, further enhanced by the value network, as a guiding heuristic for the search. To further understand the phenomena, we studied the cost distribution of the search algorithms and found that Sokoban instances can have heavy-tailed runtime distributions, with tails both on the left and right-hand sides. In particular, for the first time, we show the existence of \textit{left heavy tails} and propose an abstract tree model that can empirically explain the appearance of these tails. The experiments show the critical role of the policy network as a powerful heuristic guiding the search, which can lead to left heavy tails with polynomial scaling by avoiding exploring exponentially sized subtrees. Our results also demonstrate the importance of random restarts, as are widely used in traditional combinatorial solvers, for DNN-based search methods to avoid left and right heavy tails.

Computing the Jacobian of the solution of an optimization problem is a central problem in machine learning, with applications in hyperparameter optimization, meta-learning, optimization as a layer, and dataset distillation, to name a few. Unrolled differentiation is a popular heuristic that approximates the solution using an iterative solver and differentiates it through the computational path. This work provides a non-asymptotic convergence-rate analysis of this approach on quadratic objectives for gradient descent and the Chebyshev method. We show that to ensure convergence of the Jacobian, we can either 1) choose a large learning rate leading to a fast asymptotic convergence but accept that the algorithm may have an arbitrarily long burn-in phase or 2) choose a smaller learning rate leading to an immediate but slower convergence. We refer to this phenomenon as the curse of unrolling. Finally, we discuss open problems relative to this approach, such as deriving a practical update rule for the optimal unrolling strategy and making novel connections with the field of Sobolev orthogonal polynomials.

Echocardiography is one of the most commonly used diagnostic imaging modalities in cardiology. Application of deep learning models to echocardiograms can enable automated identification of cardiac structures, estimation of cardiac function, and prediction of clinical outcomes. However, a major hindrance to realizing the full potential of deep learning is the lack of large-scale, fully curated and annotated data sets required for supervised training. High-quality pre-trained representations that can transfer useful visual features of echocardiograms to downstream tasks can help adapt deep learning models to new setups using fewer examples. In this paper, we design a suite of benchmarks that can be used to pre-train and evaluate echocardiographic representations with respect to various clinically-relevant tasks using publicly accessible data sets. In addition, we develop a unified evaluation protocol---which we call the echocardiographic task adaptation benchmark (ETAB)---that measures how well a visual representation of echocardiograms generalizes to common downstream tasks of interest. We use our benchmarking framework to evaluate state-of-the-art vision modeling pipelines. We envision that our standardized, publicly accessible benchmarks would encourage future research and expedite progress in applying deep learning to high-impact problems in cardiovascular medicine.

This paper introduces an interpretable contextual bandit algorithm using Tsetlin Machines, which solves complex pattern recognition tasks using propositional (Boolean) logic. The proposed bandit learning algorithm relies on straightforward bit manipulation, thus simplifying computation and interpretation. We then present a mechanism for performing Thompson sampling with Tsetlin Machine, given its non-parametric nature. Our empirical analysis shows that Tsetlin Machine as a base contextual bandit learner outperforms other popular base learners on eight out of nine datasets. We further analyze the interpretability of our learner, investigating how arms are selected based on propositional expressions that model the context.

We propose a projection-free conditional gradient-type algorithm for smooth stochastic multi-level composition optimization, where the objective function is a nested composition of $T$ functions and the constraint set is a closed convex set. Our algorithm assumes access to noisy evaluations of the functions and their gradients, through a stochastic first-order oracle satisfying certain standard unbiasedness and second-moment assumptions. We show that the number of calls to the stochastic first-order oracle and the linear-minimization oracle required by the proposed algorithm, to obtain an $\epsilon$-stationary solution, are of order $\mathcal{O}_T(\epsilon^{-2})$ and $\mathcal{O}_T(\epsilon^{-3})$ respectively, where $\mathcal{O}_T$ hides constants in $T$. Notably, the dependence of these complexity bounds on $\epsilon$ and $T$ are separate in the sense that changing one does not impact the dependence of the bounds on the other. For the case of $T=1$, we also provide a high-probability convergence result that depends poly-logarithmically on the inverse confidence level. Moreover, our algorithm is parameter-free and does not require any (increasing) order of mini-batches to converge unlike the common practice in the analysis of stochastic conditional gradient-type algorithms.

Generative adversarial nets (GANs) have been remarkably successful at learning to sample from distributions specified by a given dataset, particularly if the given dataset is reasonably large compared to its dimensionality. However, given limited data, classical GANs have struggled, and strategies like output-regularization, data-augmentation, use of pre-trained models and pruning have been shown to lead to improvements. Notably, the applicability of these strategies is often constrained to particular settings, e.g., availability of a pretrained GAN, or increases training time, e.g., when using pruning. In contrast, we propose a Discriminator gradIent Gap regularized GAN (DigGAN) formulation which can be added to any existing GAN. DigGAN augments existing GANs by encouraging to narrow the gap between the norm of the gradient of a discriminator's prediction w.r.t. real images and w.r.t. the generated samples. We observe this formulation to avoid bad attractors within the GAN loss landscape, and we find DigGAN to significantly improve the results of GAN training when limited data is available.

This paper presents HierSpeech, a high-quality end-to-end text-to-speech (TTS) system based on a hierarchical conditional variational autoencoder (VAE) utilizing self-supervised speech representations. Recently, single-stage TTS systems, which directly generate raw speech waveform from text, have been getting interest thanks to their ability in generating high-quality audio within a fully end-to-end training pipeline. However, there is still a room for improvement in the conventional TTS systems. Since it is challenging to infer both the linguistic and acoustic attributes from the text directly, missing the details of attributes, specifically linguistic information, is inevitable, which results in mispronunciation and over-smoothing problem in their synthetic speech. To address the aforementioned problem, we leverage self-supervised speech representations as additional linguistic representations to bridge an information gap between text and speech. Then, the hierarchical conditional VAE is adopted to connect these representations and to learn each attribute hierarchically by improving the linguistic capability in latent representations. Compared with the state-of-the-art TTS system, HierSpeech achieves +0.303 comparative mean opinion score, and reduces the phoneme error rate of synthesized speech from 9.16% to 5.78% on the VCTK dataset. Furthermore, we extend our model to HierSpeech-U, an untranscribed text-to-speech system. Specifically, HierSpeech-U can adapt to a novel speaker by utilizing self-supervised speech representations without text transcripts. The experimental results reveal that our method outperforms publicly available TTS models, and show the effectiveness of speaker adaptation with untranscribed speech.