NeurIPS 2020 Papers

We propose a flexible gradient-based framework for learning linear programs from optimal decisions. Linear programs are often specified by hand, using prior knowledge of relevant costs and constraints. In some applications, linear programs must instead be learned from observations of optimal decisions. Learning from optimal decisions is a particularly challenging bilevel problem, and much of the related inverse optimization literature is dedicated to special cases. We tackle the general problem, learning all parameters jointly while allowing flexible parameterizations of costs, constraints, and loss functions. We also address challenges specific to learning linear programs, such as empty feasible regions and non-unique optimal decisions. Experiments show that our method successfully learns synthetic linear programs and minimum-cost multi-commodity flow instances for which previous methods are not directly applicable. We also provide a fast batch-mode PyTorch implementation of the homogeneous interior point algorithm, which supports gradients by implicit differentiation or backpropagation.

We propose an energy-based model (EBM) in the latent space of a generator model, so that the EBM serves as a prior model that stands on the top-down network of the generator model. Both the latent space EBM and the top-down network can be learned jointly by maximum likelihood, which involves short-run MCMC sampling from both the prior and posterior distributions of the latent vector. Due to the low dimensionality of the latent space and the expressiveness of the top-down network, a simple EBM in latent space can capture regularities in the data effectively, and MCMC sampling in latent space is efficient and mixes well. We show that the learned model exhibits strong performances in terms of image and text generation and anomaly detection. The one-page code can be found in supplementary materials.

Modern large-scale kernel-based tests such as maximum mean discrepancy (MMD) and kernelized Stein discrepancy (KSD) optimize kernel hyperparameters on a held-out sample via data splitting to obtain the most powerful test statistics. While data splitting results in a tractable null distribution, it suffers from a reduction in test power due to smaller test sample size. Inspired by the selective inference framework, we propose an approach that enables learning the hyperparameters and testing on the full sample without data splitting. Our approach can correctly calibrate the test in the presence of such dependency, and yield a test threshold in closed form. At the same significance level, our approach’s test power is empirically larger than that of the data-splitting approach, regardless of its split proportion.

Human reasoning involves recognising common underlying principles across many examples. The by-products of such reasoning are invariants that capture patterns such as "if someone went somewhere then they are there", expressed using variables "someone" and "somewhere" instead of mentioning specific people or places. Humans learn what variables are and how to use them at a young age. This paper explores whether machines can also learn and use variables solely from examples without requiring human pre-engineering. We propose Unification Networks, an end-to-end differentiable neural network approach capable of lifting examples into invariants and using those invariants to solve a given task. The core characteristic of our architecture is soft unification between examples that enables the network to generalise parts of the input into variables, thereby learning invariants. We evaluate our approach on five datasets to demonstrate that learning invariants captures patterns in the data and can improve performance over baselines.

Invariances to translations have imbued convolutional neural networks with powerful generalization properties. However, we often do not know a priori what invariances are present in the data, or to what extent a model should be invariant to a given augmentation. We show how to learn invariances by parameterizing a distribution over augmentations and optimizing the training loss simultaneously with respect to the network parameters and augmentation parameters. With this simple procedure we can recover the correct set and extent of invariances on image classification, regression, segmentation, and molecular property prediction from a large space of augmentations, on training data alone. We show our approach is competitive with methods that are specialized to each task with the appropriate hard-coded invariances, without providing any prior knowledge of which invariance is needed.

Communication lays the foundation for human cooperation. It is also crucial for multi-agent cooperation. However, existing work focuses on broadcast communication, which is not only impractical but also leads to information redundancy that could even impair the learning process. To tackle these difficulties, we propose Individually Inferred Communication (I2C), a simple yet effective model to enable agents to learn a prior for agent-agent communication. The prior knowledge is learned via causal inference and realized by a feed-forward neural network that maps the agent's local observation to a belief about who to communicate with. The influence of one agent on another is inferred via the joint action-value function in multi-agent reinforcement learning and quantified to label the necessity of agent-agent communication. Furthermore, the agent policy is regularized to better exploit communicated messages. Empirically, we show that I2C can not only reduce communication overhead but also improve the performance in a variety of multi-agent cooperative scenarios, comparing to existing methods.

The goal of this paper is to learn dense 3D shape correspondence for topology-varying objects in an unsupervised manner. Conventional implicit functions estimate the occupancy of a 3D point given a shape latent code. Instead, our novel implicit function produces a part embedding vector for each 3D point, which is assumed to be similar to its densely corresponded point in another 3D shape of the same object category. Furthermore, we implement dense correspondence through an inverse function mapping from the part embedding to a corresponded 3D point. Both functions are jointly learned with several effective loss functions to realize our assumption, together with the encoder generating the shape latent code. During inference, if a user selects an arbitrary point on the source shape, our algorithm can automatically generate a confidence score indicating whether there is a correspondence on the target shape, as well as the corresponding semantic point if there is. Such a mechanism inherently benefits man-made objects with different part constitutions. The effectiveness of our approach is demonstrated through unsupervised 3D semantic correspondence and shape segmentation.

We present a multi-agent actor-critic method that aims to implicitly address the credit assignment problem under fully cooperative settings. Our key motivation is that credit assignment among agents may not require an explicit formulation as long as (1) the policy gradients derived from a centralized critic carry sufficient information for the decentralized agents to maximize their joint action value through optimal cooperation and (2) a sustained level of exploration is enforced throughout training. Under the centralized training with decentralized execution (CTDE) paradigm, we achieve the former by formulating the centralized critic as a hypernetwork such that a latent state representation is integrated into the policy gradients through its multiplicative association with the stochastic policies; to achieve the latter, we derive a simple technique called adaptive entropy regularization where magnitudes of the entropy gradients are dynamically rescaled based on the current policy stochasticity to encourage consistent levels of exploration. Our algorithm, referred to as LICA, is evaluated on several benchmarks including the multi-agent particle environments and a set of challenging StarCraft II micromanagement tasks, and we show that LICA significantly outperforms previous methods.

Long-term temporal credit assignment is an important challenge in deep reinforcement learning (RL). It refers to the ability of the agent to attribute actions to consequences that may occur after a long time interval. Existing policy-gradient and Q-learning algorithms typically rely on dense environmental rewards that provide rich short-term supervision and help with credit assignment. However, they struggle to solve tasks with delays between an action and the corresponding rewarding feedback. To make credit assignment easier, recent works have proposed algorithms to learn dense "guidance" rewards that could be used in place of the sparse or delayed environmental rewards. This paper is in the same vein -- starting with a surrogate RL objective that involves smoothing in the trajectory-space, we arrive at a new algorithm for learning guidance rewards. We show that the guidance rewards have an intuitive interpretation, and can be obtained without training any additional neural networks. Due to the ease of integration, we use the guidance rewards in a few popular algorithms (Q-learning, Actor-Critic, Distributional-RL) and present results in single-agent and multi-agent tasks that elucidate the benefit of our approach when the environmental rewards are sparse or delayed.

Graph-based neural network models are producing strong results in a number of domains, in part because graphs provide flexibility to encode domain knowledge in the form of relational structure (edges) between nodes in the graph. In practice, edges are used both to represent intrinsic structure (e.g., abstract syntax trees of programs) and more abstract relations that aid reasoning for a downstream task (e.g., results of relevant program analyses). In this work, we study the problem of learning to derive abstract relations from the intrinsic graph structure. Motivated by their power in program analyses, we consider relations defined by paths on the base graph accepted by a finite-state automaton. We show how to learn these relations end-to-end by relaxing the problem into learning finite-state automata policies on a graph-based POMDP and then training these policies using implicit differentiation. The result is a differentiable Graph Finite-State Automaton (GFSA) layer that adds a new edge type (expressed as a weighted adjacency matrix) to a base graph. We demonstrate that this layer can find shortcuts in grid-world graphs and reproduce simple static analyses on Python programs. Additionally, we combine the GFSA layer with a larger graph-based model trained end-to-end on the variable misuse program understanding task, and find that using the GFSA layer leads to better performance than using hand-engineered semantic edges or other baseline methods for adding learned edge types.

There is a rich and growing literature on producing local contrastive/counterfactual explanations for black-box models (e.g. neural networks). In these methods, for an input, an explanation is in the form of a contrast point differing in very few features from the original input and lying in a different class. Other works try to build globally interpretable models like decision trees and rule lists based on the data using actual labels or based on the black-box models predictions. Although these interpretable global models can be useful, they may not be consistent with local explanations from a specific black-box of choice. In this work, we explore the question: Can we produce a transparent global model that is simultaneously accurate and consistent with the local (contrastive) explanations of the black-box model? We introduce a local consistency metric that quantifies if the local explanations for the black-box model are also applicable to the proxy/surrogate globally transparent model. Based on a key insight we propose a novel method where we create custom boolean features from local contrastive explanations of the black-box model and then train a globally transparent model that has higher local consistency compared with other known strategies in addition to being accurate.

This paper presents new algorithms to solve the feature-sparsity constrained PCA problem (FSPCA), which performs feature selection and PCA simultaneously. Existing optimization methods for FSPCA require data distribution assumptions and are lack of global convergence guarantee. Though the general FSPCA problem is NP-hard, we show that, for a low-rank covariance, FSPCA can be solved globally (Algorithm 1). Then, we propose another strategy (Algorithm 2) to solve FSPCA for the general covariance by iteratively building a carefully designed proxy. We prove (data-dependent) approximation bound and convergence guarantees for the new algorithms. For the spectrum of covariance with exponential/Zipf's distribution, we provide exponential/posynomial approximation bound. Experimental results show the promising performance and efficiency of the new algorithms compared with the state-of-the-arts on both synthetic and real-world datasets.

Playing text-based games requires skills in processing natural language and sequential decision making. Achieving human-level performance on text-based games remains an open challenge, and prior research has largely relied on hand-crafted structured representations and heuristics. In this work, we investigate how an agent can plan and generalize in text-based games using graph-structured representations learned end-to-end from raw text. We propose a novel graph-aided transformer agent (GATA) that infers and updates latent belief graphs during planning to enable effective action selection by capturing the underlying game dynamics. GATA is trained using a combination of reinforcement and self-supervised learning. Our work demonstrates that the learned graph-based representations help agents converge to better policies than their text-only counterparts and facilitate effective generalization across game configurations. Experiments on 500+ unique games from the TextWorld suite show that our best agent outperforms text-based baselines by an average of 24.2%.

To learn intrinsic low-dimensional structures from high-dimensional data that most discriminate between classes, we propose the principle of {\em Maximal Coding Rate Reduction} ($\text{MCR}^2$), an information-theoretic measure that maximizes the coding rate difference between the whole dataset and the sum of each individual class. We clarify its relationships with most existing frameworks such as cross-entropy, information bottleneck, information gain, contractive and contrastive learning, and provide theoretical guarantees for learning diverse and discriminative features. The coding rate can be accurately computed from finite samples of degenerate subspace-like distributions and can learn intrinsic representations in supervised, self-supervised, and unsupervised settings in a unified manner. Empirically, the representations learned using this principle alone are significantly more robust to label corruptions in classification than those using cross-entropy, and can lead to state-of-the-art results in clustering mixed data from self-learned invariant features.

Missing data poses significant challenges while learning representations of video sequences. We present Disentangled Imputed Video autoEncoder (DIVE), a deep generative model that imputes and predicts future video frames in the presence of missing data. Specifically, DIVE introduces a missingness latent variable, disentangles the hidden video representations into static and dynamic appearance, pose, and missingness factors for each object, while it imputes each object trajectory where data is missing. On a moving MNIST dataset with various missing scenarios, DIVE outperforms the state of the art baselines by a substantial margin. We also present comparisons on a real-world MOTSChallenge pedestrian dataset, which demonstrates the practical value of our method in a more realistic setting. Our code can be found in https://github.com/Rose-STL-Lab/DIVE.

Learning disentangled representations is a key step towards effectively discovering and modelling the underlying structure of environments. In the natural sciences, physics has found great success by describing the universe in terms of symmetry preserving transformations. Inspired by this formalism, we propose a framework, built upon the theory of group representation, for learning representations of a dynamical environment structured around the transformations that generate its evolution. Experimentally, we learn the structure of explicitly symmetric environments without supervision from observational data generated by sequential interactions. We further introduce an intuitive disentanglement regularisation to ensure the interpretability of the learnt representations. We show that our method enables accurate long-horizon predictions, and demonstrate a correlation between the quality of predictions and disentanglement in the latent space.

Discrete structures play an important role in applications like program language modeling and software engineering. Current approaches to predicting complex structures typically consider autoregressive models for their tractability, with some sacrifice in flexibility.

Differential equations parameterized by neural networks become expensive to solve numerically as training progresses. We propose a remedy that encourages learned dynamics to be easier to solve. Specifically, we introduce a differentiable surrogate for the time cost of standard numerical solvers, using higher-order derivatives of solution trajectories. These derivatives are efficient to compute with Taylor-mode automatic differentiation. Optimizing this additional objective trades model performance against the time cost of solving the learned dynamics. We demonstrate our approach by training substantially faster, while nearly as accurate, models in supervised classification, density estimation, and time-series modelling tasks.

We study the problem of learning differentiable functions expressed as programs in a domain-specific language. Such programmatic models can offer benefits such as composability and interpretability; however, learning them requires optimizing over a combinatorial space of program "architectures". We frame this optimization problem as a search in a weighted graph whose paths encode top-down derivations of program syntax. Our key innovation is to view various classes of neural networks as continuous relaxations over the space of programs, which can then be used to complete any partial program. All the parameters of this relaxed program can be trained end-to-end, and the resulting training loss is an approximately admissible heuristic that can guide the combinatorial search. We instantiate our approach on top of the A* and Iterative Deepening Depth-First Search algorithms and use these algorithms to learn programmatic classifiers in three sequence classification tasks. Our experiments show that the algorithms outperform state-of-the-art methods for program learning, and that they discover programmatic classifiers that yield natural interpretations and achieve competitive accuracy.