ICLR 2020 论文列表

We present a provable, sampling-based approach for generating compact Convolutional Neural Networks (CNNs) by identifying and removing redundant filters from an over-parameterized network. Our algorithm uses a small batch of input data points to assign a saliency score to each filter and constructs an importance sampling distribution where filters that highly affect the output are sampled with correspondingly high probability. In contrast to existing filter pruning approaches, our method is simultaneously data-informed, exhibits provable guarantees on the size and performance of the pruned network, and is widely applicable to varying network architectures and data sets. Our analytical bounds bridge the notions of compressibility and importance of network structures, which gives rise to a fully-automated procedure for identifying and preserving filters in layers that are essential to the network's performance. Our experimental evaluations on popular architectures and data sets show that our algorithm consistently generates sparser and more efficient models than those constructed by existing filter pruning approaches.

Learning high-level representations for graphs is of great importance for graph analysis tasks. In addition to graph convolution, graph pooling is an important but less explored research area. In particular, most of existing graph pooling techniques do not consider the graph structural information explicitly. We argue that such information is important and develop a novel graph pooling technique, know as the StructPool, in this work. We consider the graph pooling as a node clustering problem, which requires the learning of a cluster assignment matrix. We propose to formulate it as a structured prediction problem and employ conditional random fields to capture the relationships among assignments of different nodes. We also generalize our method to incorporate graph topological information in designing the Gibbs energy function. Experimental results on multiple datasets demonstrate the effectiveness of our proposed StructPool.

Graph attention network (GAT) is a promising framework to perform convolution and massage passing on graphs. Yet, how to fully exploit rich structural information in the attention mechanism remains a challenge. In the current version, GAT calculates attention scores mainly using node features and among one-hop neighbors, while increasing the attention range to higher-order neighbors can negatively affect its performance, reflecting the over-smoothing risk of GAT (or graph neural networks in general), and the ineffectiveness in exploiting graph structural details. In this paper, we propose an ``"adaptive structural fingerprint" (ADSF) model to fully exploit graph topological details in graph attention network. The key idea is to contextualize each node with a weighted, learnable receptive field encoding rich and diverse local graph structures. By doing this, structural interactions between the nodes can be inferred accurately, thus significantly improving subsequent attention layer as well as the convergence of learning. Furthermore, our model provides a useful platform for different subspaces of node features and various scales of graph structures to ``cross-talk'' with each other through the learning of multi-head attention, being particularly useful in handling complex real-world data. Empirical results demonstrate the power of our approach in exploiting rich structural information in GAT and in alleviating the intrinsic oversmoothing problem in graph neural networks.

We propose an algorithm combining calibrated prediction and generalization bounds from learning theory to construct confidence sets for deep neural networks with PAC guarantees---i.e., the confidence set for a given input contains the true label with high probability. We demonstrate how our approach can be used to construct PAC confidence sets on ResNet for ImageNet, a visual object tracking model, and a dynamics model for the half-cheetah reinforcement learning problem.

Uncertainty estimation and ensembling methods go hand-in-hand. Uncertainty estimation is one of the main benchmarks for assessment of ensembling performance. At the same time, deep learning ensembles have provided state-of-the-art results in uncertainty estimation. In this work, we focus on in-domain uncertainty for image classification. We explore the standards for its quantification and point out pitfalls of existing metrics. Avoiding these pitfalls, we perform a broad study of different ensembling techniques. To provide more insight in this study, we introduce the deep ensemble equivalent score (DEE) and show that many sophisticated ensembling techniques are equivalent to an ensemble of only few independently trained networks in terms of test performance.

Neural architecture search (NAS) searches architectures automatically for given tasks, e.g., image classification and language modeling. Improving the search efficiency and effectiveness has attracted increasing attention in recent years. However, few efforts have been devoted to understanding the generated architectures. In this paper, we first reveal that existing NAS algorithms (e.g., DARTS, ENAS) tend to favor architectures with wide and shallow cell structures. These favorable architectures consistently achieve fast convergence and are consequently selected by NAS algorithms. Our empirical and theoretical study further confirms that their fast convergence derives from their smooth loss landscape and accurate gradient information. Nonetheless, these architectures may not necessarily lead to better generalization performance compared with other candidate architectures in the same search space, and therefore further improvement is possible by revising existing NAS algorithms.

Many real-world sequential decision-making problems can be formulated as optimal control with high-dimensional observations and unknown dynamics. A promising approach is to embed the high-dimensional observations into a lower-dimensional latent representation space, estimate the latent dynamics model, then utilize this model for control in the latent space. An important open question is how to learn a representation that is amenable to existing control algorithms? In this paper, we focus on learning representations for locally-linear control algorithms, such as iterative LQR (iLQR). By formulating and analyzing the representation learning problem from an optimal control perspective, we establish three underlying principles that the learned representation should comprise: 1) accurate prediction in the observation space, 2) consistency between latent and observation space dynamics, and 3) low curvature in the latent space transitions. These principles naturally correspond to a loss function that consists of three terms: prediction, consistency, and curvature (PCC). Crucially, to make PCC tractable, we derive an amortized variational bound for the PCC loss function. Extensive experiments on benchmark domains demonstrate that the new variational-PCC learning algorithm benefits from significantly more stable and reproducible training, and leads to superior control performance. Further ablation studies give support to the importance of all three PCC components for learning a good latent space for control.

Adversarial training, a method for learning robust deep networks, is typically assumed to be more expensive than traditional training due to the necessity of constructing adversarial examples via a first-order method like projected gradient decent (PGD). In this paper, we make the surprising discovery that it is possible to train empirically robust models using a much weaker and cheaper adversary, an approach that was previously believed to be ineffective, rendering the method no more costly than standard training in practice. Specifically, we show that adversarial training with the fast gradient sign method (FGSM), when combined with random initialization, is as effective as PGD-based training but has significantly lower cost. Furthermore we show that FGSM adversarial training can be further accelerated by using standard techniques for efficient training of deep networks, allowing us to learn a robust CIFAR10 classifier with 45% robust accuracy at epsilon=8/255 in 6 minutes, and a robust ImageNet classifier with 43% robust accuracy at epsilon=2/255 in 12 hours, in comparison to past work based on ``free'' adversarial training which took 10 and 50 hours to reach the same respective thresholds.

Recent breakthroughs of pretrained language models have shown the effectiveness of self-supervised learning for a wide range of natural language processing (NLP) tasks. In addition to standard syntactic and semantic NLP tasks, pretrained models achieve strong improvements on tasks that involve real-world knowledge, suggesting that large-scale language modeling could be an implicit method to capture knowledge. In this work, we further investigate the extent to which pretrained models such as BERT capture knowledge using a zero-shot fact completion task. Moreover, we propose a simple yet effective weakly supervised pretraining objective, which explicitly forces the model to incorporate knowledge about real-world entities. Models trained with our new objective yield significant improvements on the fact completion task. When applied to downstream tasks, our model consistently outperforms BERT on four entity-related question answering datasets (i.e., WebQuestions, TriviaQA, SearchQA and Quasar-T) with an average 2.7 F1 improvements and a standard fine-grained entity typing dataset (i.e., FIGER) with 5.7 accuracy gains.

We demonstrate how to learn efficient heuristics for automated reasoning algorithms for quantified Boolean formulas through deep reinforcement learning. We focus on a backtracking search algorithm, which can already solve formulas of impressive size - up to hundreds of thousands of variables. The main challenge is to find a representation of these formulas that lends itself to making predictions in a scalable way. For a family of challenging problems, we learned a heuristic that solves significantly more formulas compared to the existing handwritten heuristics.

We describe a novel way of representing a symbolic knowledge base (KB) called a sparse-matrix reified KB. This representation enables neural modules that are fully differentiable, faithful to the original semantics of the KB, expressive enough to model multi-hop inferences, and scalable enough to use with realistically large KBs. The sparse-matrix reified KB can be distributed across multiple GPUs, can scale to tens of millions of entities and facts, and is orders of magnitude faster than naive sparse-matrix implementations. The reified KB enables very simple end-to-end architectures to obtain competitive performance on several benchmarks representing two families of tasks: KB completion, and learning semantic parsers from denotations.

Obtaining high-quality uncertainty estimates is essential for many applications of deep neural networks. In this paper, we theoretically justify a scheme for estimating uncertainties, based on sampling from a prior distribution. Crucially, the uncertainty estimates are shown to be conservative in the sense that they never underestimate a posterior uncertainty obtained by a hypothetical Bayesian algorithm. We also show concentration, implying that the uncertainty estimates converge to zero as we get more data. Uncertainty estimates obtained from random priors can be adapted to any deep network architecture and trained using standard supervised learning pipelines. We provide experimental evaluation of random priors on calibration and out-of-distribution detection on typical computer vision tasks, demonstrating that they outperform deep ensembles in practice.

We propose a novel method for unsupervised image-to-image translation, which incorporates a new attention module and a new learnable normalization function in an end-to-end manner. The attention module guides our model to focus on more important regions distinguishing between source and target domains based on the attention map obtained by the auxiliary classifier. Unlike previous attention-based method which cannot handle the geometric changes between domains, our model can translate both images requiring holistic changes and images requiring large shape changes. Moreover, our new AdaLIN (Adaptive Layer-Instance Normalization) function helps our attention-guided model to flexibly control the amount of change in shape and texture by learned parameters depending on datasets. Experimental results show the superiority of the proposed method compared to the existing state-of-the-art models with a fixed network architecture and hyper-parameters.

The performance of deep network learning strongly depends on the choice of the non-linear activation function associated with each neuron. However, deciding on the best activation is non-trivial and the choice depends on the architecture, hyper-parameters, and even on the dataset. Typically these activations are fixed by hand before training. Here, we demonstrate how to eliminate the reliance on first picking fixed activation functions by using flexible parametric rational functions instead. The resulting Padé Activation Units (PAUs) can both approximate common activation functions and also learn new ones while providing compact representations. Our empirical evidence shows that end-to-end learning deep networks with PAUs can increase the predictive performance. Moreover, PAUs pave the way to approximations with provable robustness.

We present local ensembles, a method for detecting extrapolation at test time in a pre-trained model. We focus on underdetermination as a key component of extrapolation: we aim to detect when many possible predictions are consistent with the training data and model class. Our method uses local second-order information to approximate the variance of predictions across an ensemble of models from the same class. We compute this approximation by estimating the norm of the component of a test point's gradient that aligns with the low-curvature directions of the Hessian, and provide a tractable method for estimating this quantity. Experimentally, we show that our method is capable of detecting when a pre-trained model is extrapolating on test data, with applications to out-of-distribution detection, detecting spurious correlates, and active learning.

We tackle the problem of discovering novel classes in an image collection given labelled examples of other classes. This setting is similar to semi-supervised learning, but significantly harder because there are no labelled examples for the new classes. The challenge, then, is to leverage the information contained in the labelled images in order to learn a general-purpose clustering model and use the latter to identify the new classes in the unlabelled data. In this work we address this problem by combining three ideas: (1) we suggest that the common approach of bootstrapping an image representation using the labeled data only introduces an unwanted bias, and that this can be avoided by using self-supervised learning to train the representation from scratch on the union of labelled and unlabelled data; (2) we use rank statistics to transfer the model's knowledge of the labelled classes to the problem of clustering the unlabelled images; and, (3) we train the data representation by optimizing a joint objective function on the labelled and unlabelled subsets of the data, improving both the supervised classification of the labelled data, and the clustering of the unlabelled data. We evaluate our approach on standard classification benchmarks and outperform current methods for novel category discovery by a significant margin.

A key challenge of existing program synthesizers is ensuring that the synthesized program generalizes well. This can be difficult to achieve as the specification provided by the end user is often limited, containing as few as one or two input-output examples. In this paper we address this challenge via an iterative approach that finds ambiguities in the provided specification and learns to resolve these by generating additional input-output examples. The main insight is to reduce the problem of selecting which program generalizes well to the simpler task of deciding which output is correct. As a result, to train our probabilistic models, we can take advantage of the large amounts of data in the form of program outputs, which are often much easier to obtain than the corresponding ground-truth programs.

Generative Adversarial Imitation Learning (GAIL) is a powerful and practical approach for learning sequential decision-making policies. Different from Reinforcement Learning (RL), GAIL takes advantage of demonstration data by experts (e.g., human), and learns both the policy and reward function of the unknown environment. Despite the significant empirical progresses, the theory behind GAIL is still largely unknown. The major difficulty comes from the underlying temporal dependency of the demonstration data and the minimax computational formulation of GAIL without convex-concave structure. To bridge such a gap between theory and practice, this paper investigates the theoretical properties of GAIL. Specifically, we show: (1) For GAIL with general reward parameterization, the generalization can be guaranteed as long as the class of the reward functions is properly controlled; (2) For GAIL, where the reward is parameterized as a reproducing kernel function, GAIL can be efficiently solved by stochastic first order optimization algorithms, which attain sublinear convergence to a stationary solution. To the best of our knowledge, these are the first results on statistical and computational guarantees of imitation learning with reward/policy function ap- proximation. Numerical experiments are provided to support our analysis.

Traditional natural language generation (NLG) models are trained using maximum likelihood estimation (MLE) which differs from the sample generation inference procedure. During training the ground truth tokens are passed to the model, however, during inference, the model instead reads its previously generated samples - a phenomenon coined exposure bias. Exposure bias was hypothesized to be a root cause of poor sample quality and thus many generative adversarial networks (GANs) were proposed as a remedy since they have identical training and inference. However, many of the ensuing GAN variants validated sample quality improvements but ignored loss of sample diversity. This work reiterates the fallacy of quality-only metrics and clearly demonstrate that the well-established technique of reducing softmax temperature can outperform GANs on a quality-only metric. Further, we establish a definitive quality-diversity evaluation procedure using temperature tuning over local and global sample metrics. Under this, we find that MLE models consistently outperform the proposed GAN variants over the whole quality-diversity space. Specifically, we find that 1) exposure bias appears to be less of an issue than the complications arising from non-differentiable, sequential GAN training; 2) MLE trained models provide a better quality/diversity trade-off compared to their GAN counterparts, all while being easier to train, easier to cross-validate, and less computationally expensive.