NeurIPS 2019 论文列表

Machine Learning (ML) models trained on data from multiple demographic groups can inherit representation disparity (Hashimoto et al., 2018) that may exist in the data: the model may be less favorable to groups contributing less to the training process; this in turn can degrade population retention in these groups over time, and exacerbate representation disparity in the long run. In this study, we seek to understand the interplay between ML decisions and the underlying group representation, how they evolve in a sequential framework, and how the use of fairness criteria plays a role in this process. We show that the representation disparity can easily worsen over time under a natural user dynamics (arrival and departure) model when decisions are made based on a commonly used objective and fairness criteria, resulting in some groups diminishing entirely from the sample pool in the long run. It highlights the fact that fairness criteria have to be defined while taking into consideration the impact of decisions on user dynamics. Toward this end, we explain how a proper fairness criterion can be selected based on a general user dynamics model.

Recently, there has been a growing interest in developing saliency methods that provide visual explanations of network predictions. Still, the usability of existing methods is limited to image classification models. To overcome this limitation, we extend the existing approaches to generate grid saliencies, which provide spatially coherent visual explanations for (pixel-level) dense prediction networks. As the proposed grid saliency allows to spatially disentangle the object and its context, we specifically explore its potential to produce context explanations for semantic segmentation networks, discovering which context most influences the class predictions inside a target object area. We investigate the effectiveness of grid saliency on a synthetic dataset with an artificially induced bias between objects and their context as well as on the real-world Cityscapes dataset using state-of-the-art segmentation networks. Our results show that grid saliency can be successfully used to provide easily interpretable context explanations and, moreover, can be employed for detecting and localizing contextual biases present in the data.

Greedy algorithms such as adaptive sampling (k-means++) and furthest point traversal are popular choices for clustering problems. One the one hand, they possess good theoretical approximation guarantees, and on the other, they are fast and easy to implement. However, one main issue with these algorithms is the sensitivity to noise/outliers in the data. In this work we show that for k-means and k-center clustering, simple modifications to the well-studied greedy algorithms result in nearly identical guarantees, while additionally being robust to outliers. For instance, in the case of k-means++, we show that a simple thresholding operation on the distances suffices to obtain an O(\log k) approximation to the objective. We obtain similar results for the simpler k-center problem. Finally, we show experimentally that our algorithms are easy to implement and scale well. We also measure their ability to identify noisy points added to a dataset.

A basic question in learning theory is to identify if two distributions are identical when we have access only to examples sampled from the distributions. This basic task is considered, for example, in the context of Generative Adversarial Networks (GANs), where a discriminator is trained to distinguish between a real-life distribution and a synthetic distribution. Classically, we use a hypothesis class $H$ and claim that the two distributions are distinct if for some $h\in H$ the expected value on the two distributions is (significantly) different. Our starting point is the following fundamental problem: "is having the hypothesis dependent on more than a single random example beneficial". To address this challenge we define $k$-ary based discriminators, which have a family of Boolean $k$-ary functions $\G$. Each function $g\in \G$ naturally defines a hyper-graph, indicating whether a given hyper-edge exists. A function $g\in \G$ distinguishes between two distributions, if the expected value of $g$, on a $k$-tuple of i.i.d examples, on the two distributions is (significantly) different. We study the expressiveness of families of $k$-ary functions, compared to the classical hypothesis class $H$, which is $k=1$. We show a separation in expressiveness of $k+1$-ary versus $k$-ary functions. This demonstrate the great benefit of having $k\geq 2$ as distinguishers. For $k\geq 2$ we introduce a notion similar to the VC-dimension, and show that it controls the sample complexity. We proceed and provide upper and lower bounds as a function of our extended notion of VC-dimension.

Graph-based semi-supervised learning is a very powerful tool in classification tasks, while in most existing literature the labelled nodes are assumed to be randomly sampled. When the labelling status depends on the unobserved node response, ignoring the missingness can lead to significant estimation bias and handicap the classifiers. This situation is called non-ignorable non-response. To solve the problem, we propose a Graph-based joint model with Non-ignorable Non-response (GNN), followed by a joint inverse weighting estimation procedure incorporated with sampling imputation approach. Our method is proved to outperform some state-of-art models in both regression and classification problems, by simulations and real analysis on the Cora dataset.

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-call meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.

For joint inference over multiple variables, a variety of structured prediction techniques have been developed to model correlations among variables and thereby improve predictions. However, many classical approaches suffer from one of two primary drawbacks: they either lack the ability to model high-order correlations among variables while maintaining computationally tractable inference, or they do not allow to explicitly model known correlations. To address this shortcoming, we introduce ‘Graph Structured Prediction Energy Networks,’ for which we develop inference techniques that allow to both model explicit local and implicit higher-order correlations while maintaining tractability of inference. We apply the proposed method to tasks from the natural language processing and computer vision domain and demonstrate its general utility.

We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly reduced memory footprint, allowing them to scale to larger graphs. In the unsupervised case, we combine graph normalizing flows with a novel graph auto-encoder to create a generative model of graph structures. Our model is permutation-invariant, generating entire graphs with a single feed-forward pass, and achieves competitive results with the state-of-the art auto-regressive models, while being better suited to parallel computing architectures.

While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of graphs. Compared to graph kernels, graph neural networks (GNNs) usually achieve better practical performance, as GNNs use multi-layer architectures and non-linear activation functions to extract high-order information of graphs as features. However, due to the large number of hyper-parameters and the non-convex nature of the training procedure, GNNs are harder to train. Theoretical guarantees of GNNs are also not well-understood. Furthermore, the expressive power of GNNs scales with the number of parameters, and thus it is hard to exploit the full power of GNNs when computing resources are limited. The current paper presents a new class of graph kernels, Graph Neural Tangent Kernels (GNTKs), which correspond to \emph{infinitely wide} multi-layer GNNs trained by gradient descent. GNTKs enjoy the full expressive power of GNNs and inherit advantages of GKs. Theoretically, we show GNTKs provably learn a class of smooth functions on graphs. Empirically, we test GNTKs on graph classification datasets and show they achieve strong performance.

Graph-based algorithms are among the most successful paradigms for solving semi-supervised learning tasks. Recent work on graph convolutional networks and neural graph learning methods has successfully combined the expressiveness of neural networks with graph structures. We propose a technique that, when applied to these methods, achieves state-of-the-art results on semi-supervised learning datasets. Traditional graph-based algorithms, such as label propagation, were designed with the underlying assumption that the label of a node can be imputed from that of the neighboring nodes. However, real-world graphs are either noisy or have edges that do not correspond to label agreement. To address this, we propose Graph Agreement Models (GAM), which introduces an auxiliary model that predicts the probability of two nodes sharing the same label as a learned function of their features. The agreement model is used when training a node classification model by encouraging agreement only for the pairs of nodes it deems likely to have the same label, thus guiding its parameters to better local optima. The classification and agreement models are trained jointly in a co-training fashion. Moreover, GAM can also be applied to any semi-supervised classification problem, by inducing a graph whenever one is not provided. We demonstrate that our method achieves a relative improvement of up to 72% for various node classification models, and obtains state-of-the-art results on multiple established datasets.

We introduce a gradient-based learning method to automatically adapt Markov chain Monte Carlo (MCMC) proposal distributions to intractable targets. We define a maximum entropy regularised objective function, referred to as generalised speed measure, which can be robustly optimised over the parameters of the proposal distribution by applying stochastic gradient optimisation. An advantage of our method compared to traditional adaptive MCMC methods is that the adaptation occurs even when candidate state values are rejected. This is a highly desirable property of any adaptation strategy because the adaptation starts in early iterations even if the initial proposal distribution is far from optimum. We apply the framework for learning multivariate random walk Metropolis and Metropolis-adjusted Langevin proposals with full covariance matrices, and provide empirical evidence that our method can outperform other MCMC algorithms, including Hamiltonian Monte Carlo schemes.

A continual learning agent learns online with a non-stationary and never-ending stream of data. The key to such learning process is to overcome the catastrophic forgetting of previously seen data, which is a well known problem of neural networks. To prevent forgetting, a replay buffer is usually employed to store the previous data for the purpose of rehearsal. Previous work often depend on task boundary and i.i.d. assumptions to properly select samples for the replay buffer. In this work, we formulate sample selection as a constraint reduction problem based on the constrained optimization view of continual learning. The goal is to select a fixed subset of constraints that best approximate the feasible region defined by the original constraints. We show that it is equivalent to maximizing the diversity of samples in the replay buffer with parameter gradient as the feature. We further develop a greedy alternative that is cheap and efficient. The advantage of the proposed method is demonstrated by comparing to other alternatives under the continual learning setting. Further comparisons are made against state of the art methods that rely on task boundaries which show comparable or even better results for our method.

Motivated by Fisher divergence, in this paper we present a new set of information quantities which we refer to as gradient information. These measures serve as surrogates for classical information measures such as those based on logarithmic loss, Kullback-Leibler divergence, directed Shannon information, etc. in many data-processing scenarios of interest, and often provide significant computational advantage, improved stability and robustness. As an example, we apply these measures to the Chow-Liu tree algorithm, and demonstrate remarkable performance and significant computational reduction using both synthetic and real data.

We present a theoretical and empirical study of the gradient dynamics of overparameterized shallow ReLU networks with one-dimensional input, solving least-squares interpolation. We show that the gradient dynamics of such networks are determined by the gradient flow in a non-redundant parameterization of the network function. We examine the principal qualitative features of this gradient flow. In particular, we determine conditions for two learning regimes: \emph{kernel} and \emph{adaptive}, which depend both on the relative magnitude of initialization of weights in different layers and the asymptotic behavior of initialization coefficients in the limit of large network widths. We show that learning in the kernel regime yields smooth interpolants, minimizing curvature, and reduces to \emph{cubic splines} for uniform initializations. Learning in the adaptive regime favors instead \emph{linear splines}, where knots cluster adaptively at the sample points.

Multi-simulator training has contributed to the recent success of Deep Reinforcement Learning (Deep RL) by stabilizing learning and allowing for higher training throughputs. In this work, we propose Gossip-based Actor-Learner Architectures (GALA) where several actor-learners (such as A2C agents) are organized in a peer-to-peer communication topology, and exchange information through asynchronous gossip in order to take advantage of a large number of distributed simulators. We prove that GALA agents remain within an epsilon-ball of one-another during training when using loosely coupled asynchronous communication. By reducing the amount of synchronization between agents, GALA is more computationally efficient and scalable compared to A2C, its fully-synchronous counterpart. GALA also outperforms A2C, being more robust and sample efficient. We show that we can run several loosely coupled GALA agents in parallel on a single GPU and achieve significantly higher hardware utilization and frame-rates than vanilla A2C at comparable power draws.

Designing rewards for Reinforcement Learning (RL) is challenging because it needs to convey the desired task, be efficient to optimize, and be easy to compute. The latter is particularly problematic when applying RL to robotics, where detecting whether the desired configuration is reached might require considerable supervision and instrumentation. Furthermore, we are often interested in being able to reach a wide range of configurations, hence setting up a different reward every time might be unpractical. Methods like Hindsight Experience Replay (HER) have recently shown promise to learn policies able to reach many goals, without the need of a reward. Unfortunately, without tricks like resetting to points along the trajectory, HER might require many samples to discover how to reach certain areas of the state-space. In this work we propose a novel algorithm goalGAIL, which incorporates demonstrations to drastically speed up the convergence to a policy able to reach any goal, surpassing the performance of an agent trained with other Imitation Learning algorithms. Furthermore, we show our method can also be used when the available expert trajectories do not contain the actions or when the expert is suboptimal, which makes it applicable when only kinesthetic, third person or noisy demonstration is available.

It is intuitive that NLP tasks for logographic languages like Chinese should benefit from the use of the glyph information in those languages. However, due to the lack of rich pictographic evidence in glyphs and the weak generalization ability of standard computer vision models on character data, an effective way to utilize the glyph information remains to be found.

We prove that $\Omega(s\log p)$ samples suffice to learn a sparse Gaussian directed acyclic graph (DAG) from data, where $s$ is the maximum Markov blanket size. This improves upon recent results that require $\Omega(s^{4}\log p)$ samples in the equal variance case. To prove this, we analyze a popular score-based estimator that has been the subject of extensive empirical inquiry in recent years and is known to achieve state-of-the-art results. Furthermore, the approach we study does not require strong assumptions such as faithfulness that existing theory for score-based learning crucially relies on. The resulting estimator is based around a difficult nonconvex optimization problem, and its analysis may be of independent interest given recent interest in nonconvex optimization in machine learning. Our analysis overcomes the drawbacks of existing theoretical analyses, which either fail to guarantee structure consistency in high-dimensions (i.e. learning the correct graph with high probability), or rely on restrictive assumptions. In contrast, we give explicit finite-sample bounds that are valid in the important $p\gg n$ regime.

Heavy tailed and contaminated data are common in various applications of machine learning. A standard technique to handle regression tasks that involve such data, is to use robust losses, e.g., the popular Huber’s loss.