NeurIPS 2018 Papers

Person re-identification (reID) is an important task that requires to retrieve a person's images from an image dataset, given one image of the person of interest. For learning robust person features, the pose variation of person images is one of the key challenges. Existing works targeting the problem either perform human alignment, or learn human-region-based representations. Extra pose information and computational cost is generally required for inference. To solve this issue, a Feature Distilling Generative Adversarial Network (FD-GAN) is proposed for learning identity-related and pose-unrelated representations. It is a novel framework based on a Siamese structure with multiple novel discriminators on human poses and identities. In addition to the discriminators, a novel same-pose loss is also integrated, which requires appearance of a same person's generated images to be similar. After learning pose-unrelated person features with pose guidance, no auxiliary pose information and additional computational cost is required during testing. Our proposed FD-GAN achieves state-of-the-art performance on three person reID datasets, which demonstrates that the effectiveness and robust feature distilling capability of the proposed FD-GAN.

In many biological and medical contexts, we construct a large labeled corpus by aggregating many sources to use in target prediction tasks. Unfortunately, many of the sources may be irrelevant to our target task, so ignoring the structure of the dataset is detrimental. This work proposes a novel approach, the Multiple Domain Matching Network (MDMN), to exploit this structure. MDMN embeds all data into a shared feature space while learning which domains share strong statistical relationships. These relationships are often insightful in their own right, and they allow domains to share strength without interference from irrelevant data. This methodology builds on existing distribution-matching approaches by assuming that source domains are varied and outcomes multi-factorial. Therefore, each domain should only match a relevant subset. Theoretical analysis shows that the proposed approach can have a tighter generalization bound than existing multiple-domain adaptation approaches. Empirically, we show that the proposed methodology handles higher numbers of source domains (up to 21 empirically), and provides state-of-the-art performance on image, text, and multi-channel time series classification, including clinically relevant data of a novel treatment of Autism Spectrum Disorder.

Strongly Rayleigh (SR) measures are discrete probability distributions over the subsets of a ground set. They enjoy strong negative dependence properties, as a result of which they assign higher probability to subsets of diverse elements. We introduce in this paper Exponentiated Strongly Rayleigh (ESR) measures, which sharpen (or smoothen) the negative dependence property of SR measures via a single parameter (the exponent) that can intuitively understood as an inverse temperature. We develop efficient MCMC procedures for approximate sampling from ESRs, and obtain explicit mixing time bounds for two concrete instances: exponentiated versions of Determinantal Point Processes and Dual Volume Sampling. We illustrate some of the potential of ESRs, by applying them to a few machine learning tasks; empirical results confirm that beyond their theoretical appeal, ESR-based models hold significant promise for these tasks.

We consider deep policy learning with only batched historical trajectories. The main challenge of this problem is that the learner no longer has a simulator or ``environment oracle'' as in most reinforcement learning settings. To solve this problem, we propose a monotonic advantage reweighted imitation learning strategy that is applicable to problems with complex nonlinear function approximation and works well with hybrid (discrete and continuous) action space. The method does not rely on the knowledge of the behavior policy, thus can be used to learn from data generated by an unknown policy. Under mild conditions, our algorithm, though surprisingly simple, has a policy improvement bound and outperforms most competing methods empirically. Thorough numerical results are also provided to demonstrate the efficacy of the proposed methodology.

In this paper, we obtain improved running times for regression and top eigenvector computation for numerically sparse matrices. Given a data matrix $\mat{A} \in \R^{n \times d}$ where every row $a \in \R^d$ has $\|a\|_2^2 \leq L$ and numerical sparsity $\leq s$, i.e. $\|a\|_1^2 / \|a\|_2^2 \leq s$, we provide faster algorithms for these problems for many parameter settings. For top eigenvector computation, when $\gap > 0$ is the relative gap between the top two eigenvectors of $\mat{A}^\top \mat{A}$ and $r$ is the stable rank of $\mat{A}$ we obtain a running time of $\otilde(nd + r(s + \sqrt{r s}) / \gap^2)$ improving upon the previous best unaccelerated running time of $O(nd + r d / \gap^2)$. As $r \leq d$ and $s \leq d$ our algorithm everywhere improves or matches the previous bounds for all parameter settings. For regression, when $\mu > 0$ is the smallest eigenvalue of $\mat{A}^\top \mat{A}$ we obtain a running time of $\otilde(nd + (nL / \mu) \sqrt{s nL / \mu})$ improving upon the previous best unaccelerated running time of $\otilde(nd + n L d / \mu)$. This result expands when regression can be solved in nearly linear time from when $L/\mu = \otilde(1)$ to when $L / \mu = \otilde(d^{2/3} / (sn)^{1/3})$. Furthermore, we obtain similar improvements even when row norms and numerical sparsities are non-uniform and we show how to achieve even faster running times by accelerating using approximate proximal point \cite{frostig2015regularizing} / catalyst \cite{lin2015universal}. Our running times depend only on the size of the input and natural numerical measures of the matrix, i.e. eigenvalues and $\ell_p$ norms, making progress on a key open problem regarding optimal running times for efficient large-scale learning.

In this paper we propose a novel method that provides contrastive explanations justifying the classification of an input by a black box classifier such as a deep neural network. Given an input we find what should be minimally and sufficiently present (viz. important object pixels in an image) to justify its classification and analogously what should be minimally and necessarily \emph{absent} (viz. certain background pixels). We argue that such explanations are natural for humans and are used commonly in domains such as health care and criminology. What is minimally but critically \emph{absent} is an important part of an explanation, which to the best of our knowledge, has not been explicitly identified by current explanation methods that explain predictions of neural networks. We validate our approach on three real datasets obtained from diverse domains; namely, a handwritten digits dataset MNIST, a large procurement fraud dataset and a brain activity strength dataset. In all three cases, we witness the power of our approach in generating precise explanations that are also easy for human experts to understand and evaluate.

Understanding and interpreting how machine learning (ML) models make decisions have been a big challenge. While recent research has proposed various technical approaches to provide some clues as to how an ML model makes individual predictions, they cannot provide users with an ability to inspect a model as a complete entity. In this work, we propose a novel technical approach that augments a Bayesian non-parametric regression mixture model with multiple elastic nets. Using the enhanced mixture model, we can extract generalizable insights for a target model through a global approximation. To demonstrate the utility of our approach, we evaluate it on different ML models in the context of image recognition. The empirical results indicate that our proposed approach not only outperforms the state-of-the-art techniques in explaining individual decisions but also provides users with an ability to discover the vulnerabilities of the target ML models.

We consider the minimum cost intervention design problem: Given the essential graph of a causal graph and a cost to intervene on a variable, identify the set of interventions with minimum total cost that can learn any causal graph with the given essential graph. We first show that this problem is NP-hard. We then prove that we can achieve a constant factor approximation to this problem with a greedy algorithm. We then constrain the sparsity of each intervention. We develop an algorithm that returns an intervention design that is nearly optimal in terms of size for sparse graphs with sparse interventions and we discuss how to use it when there are costs on the vertices.

Neural models operating over structured spaces such as knowledge graphs require a continuous embedding of the discrete elements of this space (such as entities) as well as the relationships between them. Relational embeddings with high expressivity, however, have high model complexity, making them computationally difficult to train. We propose a new family of embeddings for knowledge graphs that interpolate between a method with high model complexity and one, namely Holographic embeddings (HolE), with low dimensionality and high training efficiency. This interpolation, termed HolEx, is achieved by concatenating several linearly perturbed copies of original HolE. We formally characterize the number of perturbed copies needed to provably recover the full entity-entity or entity-relation interaction matrix, leveraging ideas from Haar wavelets and compressed sensing. In practice, using just a handful of Haar-based or random perturbation vectors results in a much stronger knowledge completion system. On the Freebase FB15K dataset, HolEx outperforms originally reported HolE by 14.7\% on the HITS@10 metric, and the current path-based state-of-the-art method, PTransE, by 4\% (absolute).

Stochastic gradient descent (SGD) remains the method of choice for deep learning, despite the limitations arising for ill-behaved objective functions. In cases where it could be estimated, the natural gradient has proven very effective at mitigating the catastrophic effects of pathological curvature in the objective function, but little is known theoretically about its convergence properties, and it has yet to find a practical implementation that would scale to very deep and large networks. Here, we derive an exact expression for the natural gradient in deep linear networks, which exhibit pathological curvature similar to the nonlinear case. We provide for the first time an analytical solution for its convergence rate, showing that the loss decreases exponentially to the global minimum in parameter space. Our expression for the natural gradient is surprisingly simple, computationally tractable, and explains why some approximations proposed previously work well in practice. This opens new avenues for approximating the natural gradient in the nonlinear case, and we show in preliminary experiments that our online natural gradient descent outperforms SGD on MNIST autoencoding while sharing its computational simplicity.

Recent milestones in equilibrium computation, such as the success of Libratus, show that it is possible to compute strong solutions to two-player zero-sum games in theory and practice. This is not the case for games with more than two players, which remain one of the main open challenges in computational game theory. This paper focuses on zero-sum games where a team of players faces an opponent, as is the case, for example, in Bridge, collusion in poker, and many non-recreational applications such as war, where the colluders do not have time or means of communicating during battle, collusion in bidding, where communication during the auction is illegal, and coordinated swindling in public. The possibility for the team members to communicate before game play—that is, coordinate their strategies ex ante—makes the use of behavioral strategies unsatisfactory. The reasons for this are closely related to the fact that the team can be represented as a single player with imperfect recall. We propose a new game representation, the realization form, that generalizes the sequence form but can also be applied to imperfect-recall games. Then, we use it to derive an auxiliary game that is equivalent to the original one. It provides a sound way to map the problem of finding an optimal ex-ante-correlated strategy for the team to the well-understood Nash equilibrium-finding problem in a (larger) two-player zero-sum perfect-recall game. By reasoning over the auxiliary game, we devise an anytime algorithm, fictitious team-play, that is guaranteed to converge to an optimal coordinated strategy for the team against an optimal opponent, and that is dramatically faster than the prior state-of-the-art algorithm for this problem.

We propose a population-based Evolutionary Stochastic Gradient Descent (ESGD) framework for optimizing deep neural networks. ESGD combines SGD and gradient-free evolutionary algorithms as complementary algorithms in one framework in which the optimization alternates between the SGD step and evolution step to improve the average fitness of the population. With a back-off strategy in the SGD step and an elitist strategy in the evolution step, it guarantees that the best fitness in the population will never degrade. In addition, individuals in the population optimized with various SGD-based optimizers using distinct hyper-parameters in the SGD step are considered as competing species in a coevolution setting such that the complementarity of the optimizers is also taken into account. The effectiveness of ESGD is demonstrated across multiple applications including speech recognition, image recognition and language modeling, using networks with a variety of deep architectures.

Deep Reinforcement Learning (DRL) algorithms have been successfully applied to a range of challenging control tasks. However, these methods typically suffer from three core difficulties: temporal credit assignment with sparse rewards, lack of effective exploration, and brittle convergence properties that are extremely sensitive to hyperparameters. Collectively, these challenges severely limit the applicability of these approaches to real world problems. Evolutionary Algorithms (EAs), a class of black box optimization techniques inspired by natural evolution, are well suited to address each of these three challenges. However, EAs typically suffer from high sample complexity and struggle to solve problems that require optimization of a large number of parameters. In this paper, we introduce Evolutionary Reinforcement Learning (ERL), a hybrid algorithm that leverages the population of an EA to provide diversified data to train an RL agent, and reinserts the RL agent into the EA population periodically to inject gradient information into the EA. ERL inherits EA's ability of temporal credit assignment with a fitness metric, effective exploration with a diverse set of policies, and stability of a population-based approach and complements it with off-policy DRL's ability to leverage gradients for higher sample efficiency and faster learning. Experiments in a range of challenging continuous control benchmarks demonstrate that ERL significantly outperforms prior DRL and EA methods.

Deterministic neural nets have been shown to learn effective predictors on a wide range of machine learning problems. However, as the standard approach is to train the network to minimize a prediction loss, the resultant model remains ignorant to its prediction confidence. Orthogonally to Bayesian neural nets that indirectly infer prediction uncertainty through weight uncertainties, we propose explicit modeling of the same using the theory of subjective logic. By placing a Dirichlet distribution on the class probabilities, we treat predictions of a neural net as subjective opinions and learn the function that collects the evidence leading to these opinions by a deterministic neural net from data. The resultant predictor for a multi-class classification problem is another Dirichlet distribution whose parameters are set by the continuous output of a neural net. We provide a preliminary analysis on how the peculiarities of our new loss function drive improved uncertainty estimation. We observe that our method achieves unprecedented success on detection of out-of-distribution queries and endurance against adversarial perturbations.

Information theoretic quantities play an important role in various settings in machine learning, including causality testing, structure inference in graphical models, time-series problems, feature selection as well as in providing privacy guarantees. A key quantity of interest is the mutual information and generalizations thereof, including conditional mutual information, multivariate mutual information, total correlation and directed information. While the aforementioned information quantities are well defined in arbitrary probability spaces, existing estimators employ a $\Sigma H$ method, which can only work in purely discrete space or purely continuous case since entropy (or differential entropy) is well defined only in that regime. In this paper, we define a general graph divergence measure ($\mathbb{GDM}$), generalizing the aforementioned information measures and we construct a novel estimator via a coupling trick that directly estimates these multivariate information measures using the Radon-Nikodym derivative. These estimators are proven to be consistent in a general setting which includes several cases where the existing estimators fail, thus providing the only known estimators for the following settings: (1) the data has some discrete and some continuous valued components (2) some (or all) of the components themselves are discrete-continuous \textit{mixtures} (3) the data is real-valued but does not have a joint density on the entire space, rather is supported on a low-dimensional manifold. We show that our proposed estimators significantly outperform known estimators on synthetic and real datasets.

We consider the problem of estimating how well a model class is capable of fitting a distribution of labeled data. We show that it is often possible to accurately estimate this ``learnability'' even when given an amount of data that is too small to reliably learn any accurate model. Our first result applies to the setting where the data is drawn from a $d$-dimensional distribution with isotropic covariance, and the label of each datapoint is an arbitrary noisy function of the datapoint. In this setting, we show that with $O(\sqrt{d})$ samples, one can accurately estimate the fraction of the variance of the label that can be explained via the best linear function of the data. We extend these techniques to a binary classification, and show that the prediction error of the best linear classifier can be accurately estimated given $O(\sqrt{d})$ labeled samples. For comparison, in both the linear regression and binary classification settings, even if there is no noise in the labels, a sample size linear in the dimension, $d$, is required to \emph{learn} any function correlated with the underlying model. We further extend our estimation approach to the setting where the data distribution has an (unknown) arbitrary covariance matrix, allowing these techniques to be applied to settings where the model class consists of a linear function applied to a nonlinear embedding of the data. We demonstrate the practical viability of our approaches on synthetic and real data. This ability to estimate the explanatory value of a set of features (or dataset), even in the regime in which there is too little data to realize that explanatory value, may be relevant to the scientific and industrial settings for which data collection is expensive and there are many potentially relevant feature sets that could be collected.

The Equalized Odds (for short, EO) is one of the most popular measures of discrimination used in the supervised learning setting. It ascertains fairness through the balance of the misclassification rates (false positive and negative) across the protected groups -- e.g., in the context of law enforcement, an African-American defendant who would not commit a future crime will have an equal opportunity of being released, compared to a non-recidivating Caucasian defendant. Despite this noble goal, it has been acknowledged in the literature that statistical tests based on the EO are oblivious to the underlying causal mechanisms that generated the disparity in the first place (Hardt et al. 2016). This leads to a critical disconnect between statistical measures readable from the data and the meaning of discrimination in the legal system, where compelling evidence that the observed disparity is tied to a specific causal process deemed unfair by society is required to characterize discrimination. The goal of this paper is to develop a principled approach to connect the statistical disparities characterized by the EO and the underlying, elusive, and frequently unobserved, causal mechanisms that generated such inequality. We start by introducing a new family of counterfactual measures that allows one to explain the misclassification disparities in terms of the underlying mechanisms in an arbitrary, non-parametric structural causal model. This will, in turn, allow legal and data analysts to interpret currently deployed classifiers through causal lens, linking the statistical disparities found in the data to the corresponding causal processes. Leveraging the new family of counterfactual measures, we develop a learning procedure to construct a classifier that is statistically efficient, interpretable, and compatible with the basic human intuition of fairness. We demonstrate our results through experiments in both real (COMPAS) and synthetic datasets.

Societies often rely on human experts to take a wide variety of decisions affecting their members, from jail-or-release decisions taken by judges and stop-and-frisk decisions taken by police officers to accept-or-reject decisions taken by academics. In this context, each decision is taken by an expert who is typically chosen uniformly at random from a pool of experts. However, these decisions may be imperfect due to limited experience, implicit biases, or faulty probabilistic reasoning. Can we improve the accuracy and fairness of the overall decision making process by optimizing the assignment between experts and decisions?

Machine learning models are changing the paradigm of molecular modeling, which is a fundamental tool for material science, chemistry, and computational biology. Of particular interest is the inter-atomic potential energy surface (PES). Here we develop Deep Potential - Smooth Edition (DeepPot-SE), an end-to-end machine learning-based PES model, which is able to efficiently represent the PES for a wide variety of systems with the accuracy of ab initio quantum mechanics models. By construction, DeepPot-SE is extensive and continuously differentiable, scales linearly with system size, and preserves all the natural symmetries of the system. Further, we show that DeepPot-SE describes finite and extended systems including organic molecules, metals, semiconductors, and insulators with high fidelity.