ICML 2020 论文列表

Recent advances in deep representation learning on Riemannian manifolds extend classical deep learning operations to better capture the geometry of the manifold. One possible extension is the Fr{é}chet mean, the generalization of the Euclidean mean; however, it has been difficult to apply because it lacks a closed form with an easily computable derivative. In this paper, we show how to differentiate through the Fr{é}chet mean for arbitrary Riemannian manifolds. Then, focusing on hyperbolic space, we derive explicit gradient expressions and a fast, accurate, and hyperparameter-free Fr{é}chet mean solver. This fully integrates the Fr{é}chet mean into the hyperbolic neural network pipeline. To demonstrate this integration, we present two case studies. First, we apply our Fr{é}chet mean to the existing Hyperbolic Graph Convolutional Network, replacing its projected aggregation to obtain state-of-the-art results on datasets with high hyperbolicity. Second, to demonstrate the Fr{é}chet mean’s capacity to generalize Euclidean neural network operations, we develop a hyperbolic batch normalization method that gives an improvement parallel to the one observed in the Euclidean setting.

We study the basic operation of set union in the global model of differential privacy. In this problem, we are given a universe $U$ of items, possibly of infinite size, and a database $D$ of users. Each user $i$ contributes a subset $W_i \subseteq U$ of items. We want an ($\epsilon$,$\delta$)-differentially private Algorithm which outputs a subset $S \subset \cup_i W_i$ such that the size of $S$ is as large as possible. The problem arises in countless real world applications, and is particularly ubiquitous in natural language processing (NLP) applications. For example, discovering words, sentences, $n$-grams etc., from private text data belonging to users is an instance of the set union problem. In this paper we design new algorithms for this problem that significantly outperform the best known algorithms.

Embedding layers are commonly used to map discrete symbols into continuous embedding vectors that reflect their semantic meanings. Despite their effectiveness, the number of parameters in an embedding layer increases linearly with the number of symbols and poses a critical challenge on memory and storage constraints. In this work, we propose a generic and end-to-end learnable compression framework termed differentiable product quantization (DPQ). We present two instantiations of DPQ that leverage different approximation techniques to enable differentiability in end-to-end learning. Our method can readily serve as a drop-in alternative for any existing embedding layer. Empirically, DPQ offers significant compression ratios (14-238X) at negligible or no performance cost on 10 datasets across three different language tasks.

Likelihood-free (a.k.a. simulation-based) inference problems are inverse problems with expensive, or intractable, forward models. ODE inverse problems are commonly treated as likelihood-free, as their forward map has to be numerically approximated by an ODE solver. This, however, is not a fundamental constraint but just a lack of functionality in classic ODE solvers, which do not return a likelihood but a point estimate. To address this shortcoming, we employ Gaussian ODE filtering (a probabilistic numerical method for ODEs) to construct a local Gaussian approximation to the likelihood. This approximation yields tractable estimators for the gradient and Hessian of the (log-)likelihood. Insertion of these estimators into existing gradient-based optimization and sampling methods engenders new solvers for ODE inverse problems. We demonstrate that these methods outperform standard likelihood-free approaches on three benchmark-systems.

When presented with Out-of-Distribution (OOD) examples, deep neural networks yield confident, incorrect predictions; detecting OOD examples is challenging, and the potential risks are high. In this paper, we propose to detect OOD examples by identifying inconsistencies between activity patterns and predicted class. We find that characterizing activity patterns by Gram matrices and identifying anomalies in Gram matrix values can yield high OOD detection rates. We identify anomalies in the Gram matrices by simply comparing each value with its respective range observed over the training data. Unlike many approaches, this can be used with any pre-trained softmax classifier and neither requires access to OOD data for fine-tuning hyperparameters, nor does it require OOD access for inferring parameters. We empirically demonstrate applicability across a variety of architectures and vision datasets and, for the important and surprisingly hard task of detecting far out-of-distribution examples, it generally performs better than or equal to state-of-the-art OOD detection methods (including those that do assume access to OOD examples).

Over-parameterization is ubiquitous nowadays in training neural networks to benefit both optimization in seeking global optima and generalization in reducing prediction error. However, compressive networks are desired in many real world applications and direct training of small networks may be trapped in local optima. In this paper, instead of pruning or distilling over-parameterized models to compressive ones, we propose a new approach based on differential inclusions of inverse scale spaces. Specifically, it generates a family of models from simple to complex ones that couples a pair of parameters to simultaneously train over-parameterized deep models and structural sparsity on weights of fully connected and convolutional layers. Such a differential inclusion scheme has a simple discretization, proposed as Deep structurally splitting Linearized Bregman Iteration (DessiLBI), whose global convergence analysis in deep learning is established that from any initializations, algorithmic iterations converge to a critical point of empirical risks. Experimental evidence shows that DessiLBI achieve comparable and even better performance than the competitive optimizers in exploring the structural sparsity of several widely used backbones on the benchmark datasets. Remarkably, with early stopping, DessiLBI unveils “winning tickets” in early epochs: the effective sparse structure with comparable test accuracy to fully trained over-parameterized models.

A dynamic treatment regime (DTR) consists of a sequence of decision rules, one per stage of intervention, that dictates how to determine the treatment assignment to patients based on evolving treatments and covariates’ history. These regimes are particularly effective for managing chronic disorders and is arguably one of the critical ingredients underlying more personalized decision-making systems. All reinforcement learning algorithms for finding the optimal DTR in online settings will suffer O(\sqrt{|D_{X, S}|T}) regret on some environments, where T is the number of experiments, and D_{X, S} is the domains of treatments X and covariates S. This implies T = O (|D_{X, S}|) trials to generate an optimal DTR. In many applications, domains of X and S could be so enormous that the time required to ensure appropriate learning may be unattainable. We show that, if the causal diagram of the underlying environment is provided, one could achieve regret that is exponentially smaller than D_{X, S}. In particular, we develop two online algorithms that satisfy such regret bounds by exploiting the causal structure underlying the DTR; one is based on the principle of optimism in the face of uncertainty (OFU-DTR), and the other uses the posterior sampling learning (PS-DTR). Finally, we introduce efficient methods to accelerate these online learning procedures by leveraging the abundant, yet biased observational (non-experimental) data.

The task of text classification is usually divided into two stages: text feature extraction and classification. In this standard formalization, categories are merely represented as indexes in the label vocabulary, and the model lacks for explicit instructions on what to classify. Inspired by the current trend of formalizing NLP problems as question answering tasks, we propose a new framework for text classification, in which each category label is associated with a category description. Descriptions are generated by hand-crafted templates or using abstractive/extractive models from reinforcement learning. The concatenation of the description and the text is fed to the classifier to decide whether or not the current label should be assigned to the text. The proposed strategy forces the model to attend to the most salient texts with respect to the label, which can be regarded as a hard version of attention, leading to better performances. We observe significant performance boosts over strong baselines on a wide range of text classification tasks including single-label classification, multi-label classification and multi-aspect sentiment analysis.

Machine learning models are not static and may need to be retrained on slightly changed datasets, for instance, with the addition or deletion of a set of data points. This has many applications, including privacy, robustness, bias reduction, and uncertainty quantifcation. However, it is expensive to retrain models from scratch. To address this problem, we propose the DeltaGrad algorithm for rapid retraining machine learning models based on information cached during the training phase. We provide both theoretical and empirical support for the effectiveness of DeltaGrad, and show that it compares favorably to the state of the art.

In this work we develop a novel Bayesian neural network methodology to achieve strong adversarial robustness without the need for online adversarial training. Unlike previous efforts in this direction, we do not rely solely on the stochasticity of network weights by minimizing the divergence between the learned parameter distribution and a prior. Instead, we additionally require that the model maintain some expected uncertainty with respect to all input covariates. We demonstrate that by encouraging the network to distribute evenly across inputs, the network becomes less susceptible to localized, brittle features which imparts a natural robustness to targeted perturbations. We show empirical robustness on several benchmark datasets.

We study optimal covariate balance for causal inferences from observational data when rich covariates and complex relationships necessitate flexible modeling with neural networks. Standard approaches such as propensity weighting and matching/balancing fail in such settings due to miscalibrated propensity nets and inappropriate covariate representations, respectively. We propose a new method based on adversarial training of a weighting and a discriminator network that effectively addresses this methodological gap. This is demonstrated through new theoretical characterizations and empirical results on both synthetic and clinical data showing how causal analyses can be salvaged in such challenging settings.

Abstract Interpretability allows the domain-expert to directly evaluate the model’s relevance and reliability, a practice that offers assurance and builds trust. In the healthcare setting, interpretable models should implicate relevant biological mechanisms independent of technical factors like data pre-processing. We define personalized interpretability as a measure of sample-specific feature attribution, and view it as a minimum requirement for a precision health model to justify its conclusions. Some health data, especially those generated by high-throughput sequencing experiments, have nuances that compromise precision health models and their interpretation. These data are compositional, meaning that each feature is conditionally dependent on all other features. We propose the Deep Compositional Data Analysis (DeepCoDA) framework to extend precision health modelling to high-dimensional compositional data, and to provide personalized interpretability through patient-specific weights. Our architecture maintains state-of-the-art performance across 25 real-world data sets, all while producing interpretations that are both personalized and fully coherent for compositional data.

Modern machine learning models are often trained on examples with noisy labels that hurt performance and are hard to identify. In this paper, we provide an empirical study showing that a simple $k$-nearest neighbor-based filtering approach on the logit layer of a preliminary model can remove mislabeled training data and produce more accurate models than many recently proposed methods. We also provide new statistical guarantees into its efficacy.

In multi-label learning, each instance can be associated with multiple and non-exclusive labels. Previous studies assume that all the labels in the learning process are fixed and static; however, they ignore the fact that the labels will emerge continuously in changing environments. In order to fill in these research gaps, we propose a novel deep neural network (DNN) based framework, Deep Streaming Label Learning (DSLL), to classify instances with newly emerged labels effectively. DSLL can explore and incorporate the knowledge from past labels and historical models to understand and develop emerging new labels. DSLL consists of three components: 1) a streaming label mapping to extract deep relationships between new labels and past labels with a novel label-correlation aware loss; 2) a streaming feature distillation propagating feature-level knowledge from the historical model to a new model; 3) a senior student network to model new labels with the help of knowledge learned from the past. Theoretically, we prove that DSLL admits tight generalization error bounds for new labels in the DNN framework. Experimentally, extensive empirical results show that the proposed method performs significantly better than the existing state-of-the-art multi-label learning methods to handle the continually emerging new labels.

Deep reinforcement learning (RL) has achieved great empirical successes in various domains. However, the large search space of neural networks requires a large amount of data, which makes the current RL algorithms not sample efficient. Motivated by the fact that many environments with continuous state space have smooth transitions, we propose to learn a smooth policy that behaves smoothly with respect to states. We develop a new framework — \textbf{S}mooth \textbf{R}egularized \textbf{R}einforcement \textbf{L}earning ($\textbf{SR}^2\textbf{L}$), where the policy is trained with smoothness-inducing regularization. Such regularization effectively constrains the search space, and enforces smoothness in the learned policy. Moreover, our proposed framework can also improve the robustness of policy against measurement error in the state space, and can be naturally extended to distribubutionally robust setting. We apply the proposed framework to both on-policy (TRPO) and off-policy algorithm (DDPG). Through extensive experiments, we demonstrate that our method achieves improved sample efficiency and robustness.

We introduce Deep Reasoning Networks (DRNets), an end-to-end framework that combines deep learning with constraint reasoning for solving pattern de-mixing problems, typically in an unsupervised or very-weakly-supervised setting. DRNets exploit problem structure and prior knowledge by tightly combining constraint reasoning with stochastic-gradient-based neural network optimization. Our motivating task is from materials discovery and concerns inferring crystal structures of materials from X-ray diffraction data (Crystal-Structure-Phase-Mapping). Given the complexity of its underlying scientific domain, we start by introducing DRNets on an analogous but much simpler task: de-mixing overlapping hand-written Sudokus (Multi-MNIST-Sudoku). On Multi-MNIST-Sudoku, DRNets almost perfectly recovered the mixed Sudokus’ digits, with 100% digit accuracy, outperforming the supervised state-of-the-art MNIST de-mixing models. On Crystal-Structure-Phase-Mapping, DRNets significantly outperform the state of the art and experts’ capabilities, recovering more precise and physically meaningful crystal structures.

Embedding computation in molecular contexts incompatible with traditional electronics is expected to have wide ranging impact in synthetic biology, medicine, nanofabrication and other fields. A key remaining challenge lies in developing programming paradigms for molecular computation that are well-aligned with the underlying chemical hardware and do not attempt to shoehorn ill-fitting electronics paradigms. We discover a surprisingly tight connection between a popular class of neural networks (binary-weight ReLU aka BinaryConnect) and a class of coupled chemical reactions that are absolutely robust to reaction rates. The robustness of rate-independent chemical computation makes it a promising target for bioengineering implementation. We show how a BinaryConnect neural network trained in silico using well-founded deep learning optimization techniques, can be compiled to an equivalent chemical reaction network, providing a novel molecular programming paradigm. We illustrate such translation on the paradigmatic IRIS and MNIST datasets. Toward intended applications of chemical computation, we further use our method to generate a chemical reaction network that can discriminate between different virus types based on gene expression levels. Our work sets the stage for rich knowledge transfer between neural network and molecular programming communities.

Initialization, normalization, and skip connections are believed to be three indispensable techniques for training very deep convolutional neural networks and obtaining state-of-the-art performance. This paper shows that deep vanilla ConvNets without normalization nor skip connections can also be trained to achieve surprisingly good performance on standard image recognition benchmarks. This is achieved by enforcing the convolution kernels to be near isometric during initialization and training, as well as by using a variant of ReLU that is shifted towards being isometric. Further experiments show that if combined with skip connections, such near isometric networks can achieve performances on par with (for ImageNet) and better than (for COCO) the standard ResNet, even without normalization at all. Our code is available at https://github.com/HaozhiQi/ISONet.

Lying at the core of human intelligence, relational thinking is characterized by initially relying on innumerable unconscious percepts pertaining to relations between new sensory signals and prior knowledge, consequently becoming a recognizable concept or object through coupling and transformation of these percepts. Such mental processes are difficult to model in real-world problems such as in conversational automatic speech recognition (ASR), as the percepts (if they are modelled as graphs indicating relationships among utterances) are supposed to be innumerable and not directly observable. In this paper, we present a Bayesian nonparametric deep learning method called deep graph random process (DGP) that can generate an infinite number of probabilistic graphs representing percepts. We further provide a closed-form solution for coupling and transformation of these percept graphs for acoustic modeling. Our approach is able to successfully infer relations among utterances without using any relational data during training. Experimental evaluations on ASR tasks including CHiME-2 and CHiME-5 demonstrate the effectiveness and benefits of our method.