NeurIPS 2020 论文列表

Explaining the inner workings of deep neural network models have received considerable attention in recent years. Researchers have attempted to provide human parseable explanations justifying why a model performed a specific classification. Although many of these toolkits are available for use, it is unclear which style of explanation is preferred by end-users, thereby demanding investigation. We performed a cross-analysis Amazon Mechanical Turk study comparing the popular state-of-the-art explanation methods to empirically determine which are better in explaining model decisions. The participants were asked to compare explanation methods across applications spanning image, text, audio, and sensory domains. Among the surveyed methods, explanation-by-example was preferred in all domains except text sentiment classification, where LIME's method of annotating input text was preferred. We highlight qualitative aspects of employing the studied explainability methods and conclude with implications for researchers and engineers that seek to incorporate explanations into user-facing deployments.

Important insights towards the explainability of neural networks reside in the characteristics of their decision boundaries. In this work, we borrow tools from the field of adversarial robustness, and propose a new perspective that relates dataset features to the distance of samples to the decision boundary. This enables us to carefully tweak the position of the training samples and measure the induced changes on the boundaries of CNNs trained on large-scale vision datasets. We use this framework to reveal some intriguing properties of CNNs. Specifically, we rigorously confirm that neural networks exhibit a high invariance to non-discriminative features, and show that the decision boundaries of a DNN can only exist as long as the classifier is trained with some features that hold them together. Finally, we show that the construction of the decision boundary is extremely sensitive to small perturbations of the training samples, and that changes in certain directions can lead to sudden invariances in the orthogonal ones. This is precisely the mechanism that adversarial training uses to achieve robustness.

We consider the fundamental problem of selecting $k$ out of $n$ random variables in a way that the expected highest or second-highest value is maximized. This question captures several applications where we have uncertainty about the quality of candidates (e.g. auction bids, search results) and have the capacity to explore only a small subset due to an exogenous constraint. For example, consider a second price auction where system constraints (e.g., costly retrieval or model computation) allow the participation of only $k$ out of $n$ bidders, and the goal is to optimize the expected efficiency (highest bid) or expected revenue (second highest bid). We study the case where we are given an explicit description of each random variable. We give a PTAS for the problem of maximizing the expected highest value. For the second-highest value, we prove a hardness result: assuming the Planted Clique Hypothesis, there is no constant factor approximation algorithm that runs in polynomial time. Surprisingly, under the assumption that each random variable has monotone hazard rate (MHR), a simple score-based algorithm, namely picking the $k$ random variables with the largest $1/\sqrt{k}$ top quantile value, is a constant approximation to the expected highest and second highest value, \emph{simultaneously}.

Clustering is an important topic in algorithms, and has a number of applications in machine learning, computer vision, statistics, and several other research disciplines. Traditional objectives of graph clustering are to find clusters with low conductance. Not only are these objectives just applicable for undirected graphs, they are also incapable to take the relationships between clusters into account, which could be crucial for many applications. To overcome these downsides, we study directed graphs (digraphs) whose clusters exhibit further “structural” information amongst each other. Based on the Hermitian matrix representation of digraphs, we present a nearly-linear time algorithm for digraph clustering, and further show that our proposed algorithm can be implemented in sublinear time under reasonable assumptions. The significance of our theoretical work is demonstrated by extensive experimental results on the UN Comtrade Dataset: the output clustering of our algorithm exhibits not only how the clusters (sets of countries) relate to each other with respect to their import and export records, but also how these clusters evolve over time, in accordance with known facts in international trade.

Randomized smoothing is a recently proposed defense against adversarial attacks that has achieved state-of-the-art provable robustness against $\ell_2$ perturbations. A number of works have extended the guarantees to other metrics, such as $\ell_1$ or $\ell_\infty$, by using different smoothing measures. Although the current framework has been shown to yield near-optimal $\ell_p$ radii, the total safety region certified by the current framework can be arbitrarily small compared to the optimal. In this work, we propose a framework to improve the certified safety region for these smoothed classifiers without changing the underlying smoothing scheme. The theoretical contributions are as follows: 1) We generalize the certification for randomized smoothing by reformulating certified radius calculation as a nested optimization problem over a class of functions. 2) We provide a method to calculate the certified safety region using zeroth-order and first-order information for Gaussian-smoothed classifiers. We also provide a framework that generalizes the calculation for certification using higher-order information. 3) We design efficient, high-confidence estimators for the relevant statistics of the first-order information. Combining the theoretical contribution 2) and 3) allows us to certify safety region that are significantly larger than ones provided by the current methods. On CIFAR and Imagenet, the new regions achieve significant improvements on general $\ell_1$ certified radii and on the $\ell_2$ certified radii for color-space attacks ($\ell_2$ perturbation restricted to only one color/channel) while also achieving smaller improvements on the general $\ell_2$ certified radii. As discussed in the future works section, our framework can also provide a way to circumvent the current impossibility results on achieving higher magnitudes of certified radii without requiring the use of data-dependent smoothing techniques.

We present a new method for linear and nonlinear, lagged and contemporaneous constraint-based causal discovery from observational time series in the presence of latent confounders. We show that existing causal discovery methods such as FCI and variants suffer from low recall in the autocorrelated time series case and identify low effect size of conditional independence tests as the main reason. Information-theoretical arguments show that effect size can often be increased if causal parents are included in the conditioning sets. To identify parents early on, we suggest an iterative procedure that utilizes novel orientation rules to determine ancestral relationships already during the edge removal phase. We prove that the method is order-independent, and sound and complete in the oracle case. Extensive simulation studies for different numbers of variables, time lags, sample sizes, and further cases demonstrate that our method indeed achieves much higher recall than existing methods for the case of autocorrelated continuous variables while keeping false positives at the desired level. This performance gain grows with stronger autocorrelation. At github.com/jakobrunge/tigramite we provide Python code for all methods involved in the simulation studies.

A key challenge in understanding the sensory transformations of the visual system is to obtain a highly predictive model that maps natural images to neural responses. Deep neural networks (DNNs) provide a promising candidate for such a model. However, DNNs require orders of magnitude more training data than neuroscientists can collect because experimental recording time is severely limited. This motivates us to find images that train highly-predictive DNNs with as little training data as possible. We propose high-contrast, binarized versions of natural images---termed gaudy images---to efficiently train DNNs to predict higher-order visual cortical responses. In simulation experiments and analyses of real neural data, we find that training DNNs with gaudy images substantially reduces the number of training images needed to accurately predict responses to natural images. We also find that gaudy images, chosen before training, outperform images chosen during training by active learning algorithms. Thus, gaudy images overemphasize features of natural images that are the most important for efficiently training DNNs. We believe gaudy images will aid in the modeling of visual cortical neurons, potentially opening new scientific questions about visual processing.

Various parallel actor-learner methods reduce long training times for deep reinforcement learning. Synchronous methods enjoy training stability while having lower data throughput. In contrast, asynchronous methods achieve high throughput but suffer from stability issues and lower sample efficiency due to ‘stale policies.’ To combine the advantages of both methods we propose High-Throughput Synchronous Deep Reinforcement Learning (HTS-RL). In HTS-RL, we perform learning and rollouts concurrently, devise a system design which avoids ‘stale policies’ and ensure that actors interact with environment replicas in an asynchronous manner while maintaining full determinism. We evaluate our approach on Atari games and the Google Research Football environment. Compared to synchronous baselines, HTS-RL is 2−6X faster. Compared to state-of-the-art asynchronous methods, HTS-RL has competitive throughput and consistently achieves higher average episode rewards.

We extensively study how to combine Generative Adversarial Networks and learned compression to obtain a state-of-the-art generative lossy compression system. In particular, we investigate normalization layers, generator and discriminator architectures, training strategies, as well as perceptual losses. In contrast to previous work, i) we obtain visually pleasing reconstructions that are perceptually similar to the input, ii) we operate in a broad range of bitrates, and iii) our approach can be applied to high-resolution images. We bridge the gap between rate-distortion-perception theory and practice by evaluating our approach both quantitatively with various perceptual metrics, and with a user study. The study shows that our method is preferred to previous approaches even if they use more than 2x the bitrate.

Stochastic linear bandits with high-dimensional sparse features are a practical model for a variety of domains, such as personalized medicine and online advertising. We derive a novel O(n^{2/3}) dimension-free minimax regret lower bound for sparse linear bandits in the data-poor regime where the horizon is larger than the ambient dimension and where the feature vectors admit a well-conditioned exploration distribution. This is complemented by a nearly matching upper bound for an explore-then-commit algorithm showing that that O(n^{2/3}) is the optimal rate in the data-poor regime. The results complement existing bounds for the data-rich regime and also provide another example where carefully balancing the trade-off between information and regret is necessary. Finally, we prove a dimension-free O(\sqrt{n}) regret upper bound under an additional assumption on the magnitude of the signal for relevant features.

Contextual policies are used in many settings to customize system parameters and actions to the specifics of a particular setting. In some real-world settings, such as randomized controlled trials or A/B tests, it may not be possible to measure policy outcomes at the level of context—we observe only aggregate rewards across a distribution of contexts. This makes policy optimization much more difficult because we must solve a high-dimensional optimization problem over the entire space of contextual policies, for which existing optimization methods are not suitable. We develop effective models that leverage the structure of the search space to enable contextual policy optimization directly from the aggregate rewards using Bayesian optimization. We use a collection of simulation studies to characterize the performance and robustness of the models, and show that our approach of inferring a low-dimensional context embedding performs best. Finally, we show successful contextual policy optimization in a real-world video bitrate policy problem.

Despite the recent success of Bayesian optimization (BO) in a variety of applications where sample efficiency is imperative, its performance may be seriously compromised in settings characterized by high-dimensional parameter spaces. A solution to preserve the sample efficiency of BO in such problems is to introduce domain knowledge into its formulation. In this paper, we propose to exploit the geometry of non-Euclidean search spaces, which often arise in a variety of domains, to learn structure-preserving mappings and optimize the acquisition function of BO in low-dimensional latent spaces. Our approach, built on Riemannian manifolds theory, features geometry-aware Gaussian processes that jointly learn a nested-manifolds embedding and a representation of the objective function in the latent space. We test our approach in several benchmark artificial landscapes and report that it not only outperforms other high-dimensional BO approaches in several settings, but consistently optimizes the objective functions, as opposed to geometry-unaware BO methods.

Self-organization of complex morphological patterns from local interactions is a fascinating phenomenon in many natural and artificial systems. In the artificial world, typical examples of such morphogenetic systems are cellular automata. Yet, their mechanisms are often very hard to grasp and so far scientific discoveries of novel patterns have primarily been relying on manual tuning and ad hoc exploratory search. The problem of automated diversity-driven discovery in these systems was recently introduced [26, 62], highlighting that two key ingredients are autonomous exploration and unsupervised representation learning to describe “relevant” degrees of variations in the patterns. In this paper, we motivate the need for what we call Meta-diversity search, arguing that there is not a unique ground truth interesting diversity as it strongly depends on the final observer and its motives. Using a continuous game-of-life system for experiments, we provide empirical evidences that relying on monolithic architectures for the behavioral embedding design tends to bias the final discoveries (both for hand-defined and unsupervisedly-learned features) which are unlikely to be aligned with the interest of a final end-user. To address these issues, we introduce a novel dynamic and modular architecture that enables unsupervised learning of a hierarchy of diverse representations. Combined with intrinsically motivated goal exploration algorithms, we show that this system forms a discovery assistant that can efficiently adapt its diversity search towards preferences of a user using only a very small amount of user feedback.

Deep convolutional networks (DCNs) learn meaningful representations where data that share the same abstract characteristics are positioned closer and closer. Understanding these representations and how they are generated is of unquestioned practical and theoretical interest. In this work we study the evolution of the probability density of the ImageNet dataset across the hidden layers in some state-of-the-art DCNs. We find that the initial layers generate a unimodal probability density getting rid of any structure irrelevant for classification. In subsequent layers density peaks arise in a hierarchical fashion that mirrors the semantic hierarchy of the concepts. Density peaks corresponding to single categories appear only close to the output and via a very sharp transition which resembles the nucleation process of a heterogeneous liquid. This process leaves a footprint in the probability density of the output layer where the topography of the peaks allows reconstructing the semantic relationships of the categories.

Despite progress in training neural networks for lossy image compression, current approaches fail to maintain both perceptual quality and abstract features at very low bitrates. Encouraged by recent success in learning discrete representations with Vector Quantized Variational Autoencoders (VQ-VAEs), we motivate the use of a hierarchy of VQ-VAEs to attain high factors of compression. We show that the combination of stochastic quantization and hierarchical latent structure aids likelihood-based image compression. This leads us to introduce a novel objective for training hierarchical VQ-VAEs. Our resulting scheme produces a Markovian series of latent variables that reconstruct images of high-perceptual quality which retain semantically meaningful features. We provide qualitative and quantitative evaluations on the CelebA and MNIST datasets.

We formalize human language understanding as a structured prediction task where the output is a partially ordered set (poset). Current encoder-decoder architectures do not take the poset structure of semantics into account properly, thus suffering from poor compositional generalization ability. In this paper, we propose a novel hierarchical poset decoding paradigm for compositional generalization in language. Intuitively: (1) the proposed paradigm enforces partial permutation invariance in semantics, thus avoiding overfitting to bias ordering information; (2) the hierarchical mechanism allows to capture high-level structures of posets. We evaluate our proposed decoder on Compositional Freebase Questions (CFQ), a large and realistic natural language question answering dataset that is specifically designed to measure compositional generalization. Results show that it outperforms current decoders.

We consider the task of generating diverse and novel videos from a single video sample. Recently, new hierarchical patch-GAN based approaches were proposed for generating diverse images, given only a single sample at training time. Moving to videos, these approaches fail to generate diverse samples, and often collapse into generating samples similar to the training video. We introduce a novel patch-based variational autoencoder (VAE) which allows for a much greater diversity in generation. Using this tool, a new hierarchical video generation scheme is constructed: at coarse scales, our patch-VAE is employed, ensuring samples are of high diversity. Subsequently, at finer scales, a patch-GAN renders the fine details, resulting in high quality videos. Our experiments show that the proposed method produces diverse samples in both the image domain, and the more challenging video domain. Our code and supplementary material (SM) with additional samples are available at https://shirgur.github.io/hp-vae-gan

To reduce the human efforts in neural network design, Neural Architecture Search (NAS) has been applied with remarkable success to various high-level vision tasks such as classification and semantic segmentation. The underlying idea for the NAS algorithm is straightforward, namely, to allow the network the ability to choose among a set of operations (\eg convolution with different filter sizes), one is able to find an optimal architecture that is better adapted to the problem at hand. However, so far the success of NAS has not been enjoyed by low-level geometric vision tasks such as stereo matching. This is partly due to the fact that state-of-the-art deep stereo matching networks, designed by humans, are already sheer in size. Directly applying the NAS to such massive structures is computationally prohibitive based on the currently available mainstream computing resources. In this paper, we propose the first \emph{end-to-end} hierarchical NAS framework for deep stereo matching by incorporating task-specific human knowledge into the neural architecture search framework. Specifically, following the gold standard pipeline for deep stereo matching (\ie, feature extraction -- feature volume construction and dense matching), we optimize the architectures of the entire pipeline jointly. Extensive experiments show that our searched network outperforms all state-of-the-art deep stereo matching architectures and is ranked at the top 1 accuracy on KITTI stereo 2012, 2015, and Middlebury benchmarks, as well as the top 1 on SceneFlow dataset with a substantial improvement on the size of the network and the speed of inference. Code available at https://github.com/XuelianCheng/LEAStereo.