NeurIPS 2020 Papers

Feature attribution methods, which explain an individual prediction made by a model as a sum of attributions for each input feature, are an essential tool for understanding the behavior of complex deep learning models. However, ensuring that models produce meaningful explanations, rather than ones that rely on noise, is not straightforward. Exacerbating this problem is the fact that attribution methods do not provide insight as to why features are assigned their attribution values, leading to explanations that are difficult to interpret. In real-world problems we often have sets of additional information for each feature that are predictive of that feature's importance to the task at hand. Here, we propose the deep attribution prior (DAPr) framework to exploit such information to overcome the limitations of attribution methods. Our framework jointly learns a relationship between prior information and feature importance, as well as biases models to have explanations that rely on features predicted to be important. We find that our framework both results in networks that generalize better to out of sample data and admits new methods for interpreting model behavior.

Many real-world systems, such as moving planets, can be considered as multi-agent dynamic systems, where objects interact with each other and co-evolve along with the time. Such dynamics is usually difficult to capture, and understanding and predicting the dynamics based on observed trajectories of objects become a critical research problem in many domains. Most existing algorithms, however, assume the observations are regularly sampled and all the objects can be fully observed at each sampling time, which is impractical for many applications. In this paper, we pro-pose to learn system dynamics from irregularly-sampled and partial observations with underlying graph structure for the first time. To tackle the above challenge, we present LG-ODE, a latent ordinary differential equation generative model for modeling multi-agent dynamic system with known graph structure. It can simultaneously learn the embedding of high dimensional trajectories and infer continuous latent system dynamics. Our model employs a novel encoder parameterized by a graph neural network that can infer initial states in an unsupervised way from irregularly-sampled partial observations of structural objects and utilizes neuralODE to infer arbitrarily complex continuous-time latent dynamics. Experiments on motion capture, spring system, and charged particle datasets demonstrate the effectiveness of our approach.

Many aspects of human reasoning, including language, require learning rules from very little data. Humans can do this, often learning systematic rules from very few examples, and combining these rules to form compositional rule-based systems. Current neural architectures, on the other hand, often fail to generalize in a compositional manner, especially when evaluated in ways that vary systematically from training. In this work, we present a neuro-symbolic model which learns entire rule systems from a small set of examples. Instead of directly predicting outputs from inputs, we train our model to induce the explicit system of rules governing a set of previously seen examples, drawing upon techniques from the neural program synthesis literature. Our rule-synthesis approach outperforms neural meta-learning techniques in three domains: an artificial instruction-learning domain used to evaluate human learning, the SCAN challenge datasets, and learning rule-based translations of number words into integers for a wide range of human languages.

Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials are computationally challenging, as rich substructures necessitate high-fidelity finite element meshes to solve the governing PDEs. To address this, we leverage parametric modular structure to learn component-level surrogates, enabling cheaper high-fidelity simulation. We use a neural network to model the stored potential energy in a component given boundary conditions. This yields a structured prediction task: macroscopic behavior is determined by the minimizer of the system's total potential energy, which can be approximated by composing these surrogate models. Composable energy surrogates thus permit simulation in the reduced basis of component boundaries. Costly ground-truth simulation of the full structure is avoided, as training data are generated by performing finite element analysis of individual components. Using dataset aggregation to choose training data allows us to learn energy surrogates which produce accurate macroscopic behavior when composed, accelerating simulation of parametric meta-materials.

Fair representation learning provides an effective way of enforcing fairness constraints without compromising utility for downstream users. A desirable family of such fairness constraints, each requiring similar treatment for similar individuals, is known as individual fairness. In this work, we introduce the first method that enables data consumers to obtain certificates of individual fairness for existing and new data points. The key idea is to map similar individuals to close latent representations and leverage this latent proximity to certify individual fairness. That is, our method enables the data producer to learn and certify a representation where for a data point all similar individuals are at l-infinity distance at most epsilon, thus allowing data consumers to certify individual fairness by proving epsilon-robustness of their classifier. Our experimental evaluation on five real-world datasets and several fairness constraints demonstrates the expressivity and scalability of our approach.

Learning causal effects from data is a fundamental problem across the sciences. Determining the identifiability of a target effect from a combination of the observational distribution and the causal graph underlying a phenomenon is well-understood in theory. However, in practice, it remains a challenge to apply the identification theory to estimate the identified causal functionals from finite samples. Although a plethora of effective estimators have been developed under the setting known as the back-door (also called conditional ignorability), there exists still no systematic way of estimating arbitrary causal functionals that are both computationally and statistically attractive. This paper aims to bridge this gap, from causal identification to causal estimation. We note that estimating functionals from limited samples based on the empirical risk minimization (ERM) principle has been pervasive in the machine learning literature, and these methods have been extended to causal inference under the back-door setting. In this paper, we develop a learning framework that marries two families of methods, benefiting from the generality of the causal identification theory and the effectiveness of the estimators produced based on the principle of ERM. Specifically, we develop a sound and complete algorithm that generates causal functionals in the form of weighted distributions that are amenable to the ERM optimization. We then provide a practical procedure for learning causal effects from finite samples and a causal graph. Finally, experimental results support the effectiveness of our approach.

In risk-sensitive learning, one aims to find a hypothesis that minimizes a risk-averse (or risk-seeking) measure of loss, instead of the standard expected loss. In this paper, we propose to study the generalization properties of risk-sensitive learning schemes whose optimand is described via optimized certainty equivalents (OCE): our general scheme can handle various known risks, e.g., the entropic risk, mean-variance, and conditional value-at-risk, as special cases. We provide two learning bounds on the performance of empirical OCE minimizer. The first result gives an OCE guarantee based on the Rademacher average of the hypothesis space, which generalizes and improves existing results on the expected loss and the conditional value-at-risk. The second result, based on a novel variance-based characterization of OCE, gives an expected loss guarantee with a suppressed dependence on the smoothness of the selected OCE. Finally, we demonstrate the practical implications of the proposed bounds via exploratory experiments on neural networks.

This paper addresses the challenging black-box adversarial attack problem, where only classification confidence of a victim model is available. Inspired by consistency of visual saliency between different vision models, a surrogate model is expected to improve the attack performance via transferability. By combining transferability-based and query-based black-box attack, we propose a surprisingly simple baseline approach (named SimBA++) using the surrogate model, which significantly outperforms several state-of-the-art methods. Moreover, to efficiently utilize the query feedback, we update the surrogate model in a novel learning scheme, named High-Order Gradient Approximation (HOGA). By constructing a high-order gradient computation graph, we update the surrogate model to approximate the victim model in both forward and backward pass. The SimBA++ and HOGA result in Learnable Black-Box Attack (LeBA), which surpasses previous state of the art by considerable margins: the proposed LeBA significantly reduces queries, while keeping higher attack success rates close to 100% in extensive ImageNet experiments, including attacking vision benchmarks and defensive models. Code is open source at https://github.com/TrustworthyDL/LeBA.

As power management has become a primary concern in modern data centers, computing resources are being scaled dynamically to minimize energy consumption. We initiate the study of a variant of the classic online speed scaling problem, in which machine learning predictions about the future can be integrated naturally. Inspired by recent work on learning-augmented online algorithms, we propose an algorithm which incorporates predictions in a black-box manner and outperforms any online algorithm if the accuracy is high, yet maintains provable guarantees if the prediction is very inaccurate. We provide both theoretical and experimental evidence to support our claims.

Team sports is a new application domain for agent modeling with high real-world impact. A fundamental challenge for modeling professional players is their large number (over 1K), which includes many bench players with sparse participation in a game season. The diversity and sparsity of player observations make it difficult to extend previous agent representation models to the sports domain. This paper develops a new approach for agent representations, based on a Markov game model, that is tailored towards applications in professional ice hockey. We introduce a novel player representation via player generation framework where a variational encoder embeds player information with latent variables. The encoder learns a context-specific shared prior to induce a shrinkage effect for the posterior player representations, allowing it to share statistical information across players with different participations. To model the play dynamics in sequential sports data, we design a Variational Recurrent Ladder Agent Encoder (VaRLAE). It learns a contextualized player representation with a hierarchy of latent variables that effectively prevents latent posterior collapse. We validate our player representations in major sports analytics tasks. Our experimental results, based on a large dataset that contains over 4.5M events, show state-of-the-art performance for our VarLAE on facilitating 1) identifying the acting player, 2) estimating expected goals, and 3) predicting the final score difference.

Embodied agents operating in human spaces must be able to master how their environment works: what objects can the agent use, and how can it use them? We introduce a reinforcement learning approach for exploration for interaction, whereby an embodied agent autonomously discovers the affordance landscape of a new unmapped 3D environment (such as an unfamiliar kitchen). Given an egocentric RGB-D camera and a high-level action space, the agent is rewarded for maximizing successful interactions while simultaneously training an image-based affordance segmentation model. The former yields a policy for acting efficiently in new environments to prepare for downstream interaction tasks, while the latter yields a convolutional neural network that maps image regions to the likelihood they permit each action, densifying the rewards for exploration. We demonstrate our idea with AI2-iTHOR. The results show agents can learn how to use new home environments intelligently and that it prepares them to rapidly address various downstream tasks like "find a knife and put it in the drawer." Project page: http://vision.cs.utexas.edu/projects/interaction-exploration/

Much of the remarkable progress in computer vision has been focused around fully supervised learning mechanisms relying on highly curated datasets for a variety of tasks. In contrast, humans often learn about their world with little to no external supervision. Taking inspiration from infants learning from their environment through play and interaction, we present a computational framework to discover objects and learn their physical properties along this paradigm of Learning from Interaction. Our agent, when placed within the near photo-realistic and physics-enabled AI2-THOR environment, interacts with its world and learns about objects, their geometric extents and relative masses, without any external guidance. Our experiments reveal that this agent learns efficiently and effectively; not just for objects it has interacted with before, but also for novel instances from seen categories as well as novel object categories.

Learning from indirect supervision signals is important in real-world AI applications when, often, gold labels are missing or too costly. In this paper, we develop a unified theoretical framework for multi-class classification when the supervision is provided by a variable that contains nonzero mutual information with the gold label. The nature of this problem is determined by (i) the transition probability from the gold labels to the indirect supervision variables and (ii) the learner's prior knowledge about the transition. Our framework relaxes assumptions made in the literature, and supports learning with unknown, non-invertible and instance-dependent transitions. Our theory introduces a novel concept called \emph{separation}, which characterizes the learnability and generalization bounds. We also demonstrate the application of our framework via concrete novel results in a variety of learning scenarios such as learning with superset annotations and joint supervision signals.

To what extent can a neural network systematically reason over symbolic facts? Evidence suggests that large pre-trained language models (LMs) acquire some reasoning capacity, but this ability is difficult to control. Recently, it has been shown that Transformer-based models succeed in consistent reasoning over explicit symbolic facts, under a "closed-world" assumption. However, in an open-domain setup, it is desirable to tap into the vast reservoir of implicit knowledge already encoded in the parameters of pre-trained LMs. In this work, we provide a first demonstration that LMs can be trained to reliably perform systematic reasoning combining both implicit, pre-trained knowledge and explicit natural language statements.

In this work we consider partially observable environments with sparse rewards. We present a self-supervised representation learning method for image-based observations, which arranges embeddings respecting temporal distance of observations. This representation is empirically robust to stochasticity and suitable for novelty detection from the error of a predictive forward model. We consider episodic and life-long uncertainties to guide the exploration. We propose to estimate the missing information about the environment with the world model, which operates in the learned latent space. As a motivation of the method, we analyse the exploration problem in a tabular Partially Observable Labyrinth. We demonstrate the method on image-based hard exploration environments from the Atari benchmark and report significant improvement with respect to prior work. The source code of the method and all the experiments is available at https://github.com/htdt/lwm.

Learning to control the structure of sentences is a challenging problem in text generation. Existing work either relies on simple deterministic approaches or RL-based hard structures. We explore the use of structured variational autoencoders to infer latent templates for sentence generation using a soft, continuous relaxation in order to utilize reparameterization for training. Specifically, we propose a Gumbel-CRF, a continuous relaxation of the CRF sampling algorithm using a relaxed Forward-Filtering Backward-Sampling (FFBS) approach. As a reparameterized gradient estimator, the Gumbel-CRF gives more stable gradients than score-function based estimators. As a structured inference network, we show that it learns interpretable templates during training, which allows us to control the decoder during testing. We demonstrate the effectiveness of our methods with experiments on data-to-text generation and unsupervised paraphrase generation.

High-dimensional neural recordings across multiple brain regions can be used to establish functional connectivity with good spatial and temporal resolution. We designed and implemented a novel method, Latent Dynamic Factor Analysis of High-dimensional time series (LDFA-H), which combines (a) a new approach to estimating the covariance structure among high-dimensional time series (for the observed variables) and (b) a new extension of probabilistic CCA to dynamic time series (for the latent variables). Our interest is in the cross-correlations among the latent variables which, in neural recordings, may capture the flow of information from one brain region to another. Simulations show that LDFA-H outperforms existing methods in the sense that it captures target factors even when within-region correlation due to noise dominates cross-region correlation. We applied our method to local field potential (LFP) recordings from 192 electrodes in Prefrontal Cortex (PFC) and visual area V4 during a memory-guided saccade task. The results capture time-varying lead-lag dependencies between PFC and V4, and display the associated spatial distribution of the signals.

A latent bandit is a bandit problem where the learning agent knows reward distributions of arms conditioned on an unknown discrete latent state. The goal of the agent is to identify the latent state, after which it can act optimally. This setting is a natural midpoint between online and offline learning, where complex models can be learned offline and the agent identifies the latent state online. This is of high practical relevance, for instance in recommender systems. In this work, we propose general algorithms for latent bandits, based on both upper confidence bounds and Thompson sampling. The algorithms are contextual, and aware of model uncertainty and misspecification. We provide a unified theoretical analysis of our algorithms, which have lower regret than classic bandit policies when the number of latent states is smaller than actions. A comprehensive empirical study showcases the advantages of our approach.

We propose and analyze algorithms for distributionally robust optimization of convex losses with conditional value at risk (CVaR) and $\chi^2$ divergence uncertainty sets. We prove that our algorithms require a number of gradient evaluations independent of training set size and number of parameters, making them suitable for large-scale applications. For $\chi^2$ uncertainty sets these are the first such guarantees in the literature, and for CVaR our guarantees scale linearly in the uncertainty level rather than quadratically as in previous work. We also provide lower bounds proving the worst-case optimality of our algorithms for CVaR and a penalized version of the $\chi^2$ problem. Our primary technical contributions are novel bounds on the bias of batch robust risk estimation and the variance of a multilevel Monte Carlo gradient estimator due to [Blanchet & Glynn, 2015]. Experiments on MNIST and ImageNet confirm the theoretical scaling of our algorithms, which are 9-36 times more efficient than full-batch methods.