ICML 2020 论文列表

We study the computational and statistical tradeoffs in inferring combinatorial structures of high dimensional simple zero-field ferromagnetic Ising model. Under the framework of oracle computational model where an algorithm interacts with an oracle that discourses a randomized version of truth, we characterize the computational lower bounds of learning combinatorial structures in polynomial time, under which no algorithms within polynomial-time can distinguish between graphs with and without certain structures. This hardness of learning with limited computational budget is shown to be characterized by a novel quantity called vertex overlap ratio. Such quantity is universally valid for many specific graph structures including cliques and nearest neighbors. On the other side, we attain the optimal rates for testing these structures against empty graph by proposing the quadratic testing statistics to match the lower bounds. We also investigate the relationship between computational bounds and information-theoretic bounds for such problems, and found gaps between the two boundaries in inferring some particular structures, especially for those with dense edges.

Un-trained convolutional neural networks have emerged as highly successful tools for image recovery and restoration. They are capable of solving standard inverse problems such as denoising and compressive sensing with excellent results by simply fitting a neural network model to measurements from a single image or signal without the need for any additional training data. For some applications, this critically requires additional regularization in the form of early stopping the optimization. For signal recovery from a few measurements, however, un-trained convolutional networks have an intriguing self-regularizing property: Even though the network can perfectly fit any image, the network recovers a natural image from few measurements when trained with gradient descent until convergence. In this paper, we provide numerical evidence for this property and study it theoretically. We show that—without any further regularization—an un-trained convolutional neural network can approximately reconstruct signals and images that are sufficiently structured, from a near minimal number of random measurements.

Recently there has been increased interest in using machine learning techniques to improve classical algorithms. In this paper we study when it is possible to construct compact, composable sketches for weighted sampling and statistics estimation according to functions of data frequencies. Such structures are now central components of large-scale data analytics and machine learning pipelines. However, many common functions, such as thresholds and $p$th frequency moments with $p>2$, are known to require polynomial size sketches in the worst case. We explore performance beyond the worst case under two different types of assumptions. The first is having access to noisy \emph{advice} on item frequencies. This continues the line of work of Hsu et al. (ICLR 2019), who assume predictions are provided by a machine learning model. The second is providing guaranteed performance on a restricted class of input frequency distributions that are better aligned with what is observed in practice. This extends the work on heavy hitters under Zipfian distributions in a seminal paper of Charikar et al. (ICALP 2002). Surprisingly, we show analytically and empirically that "in practice" small polylogarithmic-size sketches provide accuracy for "hard" functions.

We provide the first non-asymptotic analysis for finding stationary points of nonsmooth, nonconvex functions. In particular, we study the class of Hadamard semi-differentiable functions, perhaps the largest class of nonsmooth functions for which the chain rule of calculus holds. This class contains important examples such as ReLU neural networks and others with non-differentiable activation functions. First, we show that finding an epsilon-stationary point with first-order methods is impossible in finite time. Therefore, we introduce the notion of (delta, epsilon)-stationarity, a generalization that allows for a point to be within distance delta of an epsilon-stationary point and reduces to epsilon-stationarity for smooth functions. We propose a series of randomized first-order methods and analyze their complexity of finding a (delta, epsilon)-stationary point. Furthermore, we provide a lower bound and show that our stochastic algorithm has min-max optimal dependence on delta. Empirically, our methods perform well for training ReLU neural networks.

In this paper, we study distributed algorithms for large-scale AUC maximization with a deep neural network as a predictive model. Although distributed learning techniques have been investigated extensively in deep learning, they are not directly applicable to stochastic AUC maximization with deep neural networks due to its striking differences from standard loss minimization problems (e.g., cross-entropy). Towards addressing this challenge, we propose and analyze a communication-efficient distributed optimization algorithm based on a \emph{non-convex concave} reformulation of the AUC maximization, in which the communication of both the primal variable and the dual variable between each worker and the parameter server only occurs after multiple steps of gradient-based updates in each worker. Compared with the naive parallel version of an existing algorithm that computes stochastic gradients at individual machines and averages them for updating the model parameter, our algorithm requires a much less number of communication rounds and still achieves linear speedup in theory. To the best of our knowledge, this is the \textbf{first} work that solves the \emph{non-convex concave min-max} problem for AUC maximization with deep neural networks in a communication-efficient distributed manner while still maintaining the linear speedup property in theory. Our experiments on several benchmark datasets show the effectiveness of our algorithm and also confirm our theory.

In this paper, we study the leading eigenvector problem in a statistically distributed setting and propose a communication-efficient algorithm based on Riemannian optimization, which trades local computation for global communication. Theoretical analysis shows that the proposed algorithm linearly converges to the centralized empirical risk minimization solution regarding the number of communication rounds. When the number of data points in local machines is sufficiently large, the proposed algorithm achieves a significant reduction of communication cost over existing distributed PCA algorithms. Superior performance in terms of communication cost of the proposed algorithm is verified on real-world and synthetic datasets.

Solving large complex partial differential equations (PDEs), such as those that arise in computational fluid dynamics (CFD), is a computationally expensive process. This has motivated the use of deep learning approaches to approximate the PDE solutions, yet the simulation results predicted from these approaches typically do not generalize well to truly novel scenarios. In this work, we develop a hybrid (graph) neural network that combines a traditional graph convolutional network with an embedded differentiable fluid dynamics simulator inside the network itself. By combining an actual CFD simulator (run on a much coarser resolution representation of the problem) with the graph network, we show that we can both generalize well to new situations and benefit from the substantial speedup of neural network CFD predictions, while also substantially outperforming the coarse CFD simulation alone.

In this paper, we study combinatorial pure exploration for dueling bandits (CPE-DB): we have multiple candidates for multiple positions as modeled by a bipartite graph, and in each round we sample a duel of two candidates on one position and observe who wins in the duel, with the goal of finding the best candidate-position matching with high probability after multiple rounds of samples. CPE-DB is an adaptation of the original combinatorial pure exploration for multi-armed bandit (CPE-MAB) problem to the dueling bandit setting. We consider both the Borda winner and the Condorcet winner cases. For Borda winner, we establish a reduction of the problem to the original CPE-MAB setting and design PAC and exact algorithms that achieve both the sample complexity similar to that in the CPE-MAB setting (which is nearly optimal for a subclass of problems) and polynomial running time per round. For Condorcet winner, we first design a fully polynomial time approximation scheme (FPTAS) for the offline problem of finding the Condorcet winner with known winning probabilities, and then use the FPTAS as an oracle to design a novel pure exploration algorithm CAR-Cond with sample complexity analysis. CAR-Cond is the first algorithm with polynomial running time per round for identifying the Condorcet winner in CPE-DB.

We propose an efficient inference method for switching nonlinear dynamical systems. The key idea is to learn an inference network which can be used as a proposal distribution for the continuous latent variables, while performing exact marginalization of the discrete latent variables. This allows us to use the reparameterization trick, and apply end-to-end training with stochastic gradient descent. We show that the proposed method can successfully segment time series data, including videos and 3D human pose, into meaningful “regimes” by using the piece-wise nonlinear dynamics.

Collaborative machine learning (ML) is an appealing paradigm to build high-quality ML models by training on the aggregated data from many parties. However, these parties are only willing to share their data when given enough incentives, such as a guaranteed fair reward based on their contributions. This motivates the need for measuring a party’s contribution and designing an incentive-aware reward scheme accordingly. This paper proposes to value a party’s reward based on Shapley value and information gain on model parameters given its data. Subsequently, we give each party a model as a reward. To formally incentivize the collaboration, we define some desirable properties (e.g., fairness and stability) which are inspired by cooperative game theory but adapted for our model reward that is uniquely freely replicable. Then, we propose a novel model reward scheme to satisfy fairness and trade off between the desirable properties via an adjustable parameter. The value of each party’s model reward determined by our scheme is attained by injecting Gaussian noise to the aggregated training data with an optimized noise variance. We empirically demonstrate interesting properties of our scheme and evaluate its performance using synthetic and real-world datasets.

Learning to control complex bodies and reuse learned behaviors is a longstanding challenge in continuous control. We study the problem of learning reusable humanoid skills by imitating motion capture data and joint training with complementary tasks. We show that it is possible to learn reusable skills through reinforcement learning on 50 times more motion capture data than prior work. We systematically compare a variety of different network architectures across different data regimes both in terms of imitation performance as well as transfer to challenging locomotion tasks. Finally we show that it is possible to interleave the motion capture tracking with training on complementary tasks, enriching the resulting skill space, and enabling the reuse of skills not well covered by the motion capture data such as getting up from the ground or catching a ball.

Stochastic gradient descent without replacement sampling is widely used in practice for model training. However, the vast majority of SGD analyses assumes data is sampled with replacement, and when the function minimized is strongly convex, an $\mathcal{O}\left(\frac{1}{T}\right)$ rate can be established when SGD is run for $T$ iterations. A recent line of breakthrough works on SGD without replacement (SGDo) established an $\mathcal{O}\left(\frac{n}{T^2}\right)$ convergence rate when the function minimized is strongly convex and is a sum of $n$ smooth functions, and an $\mathcal{O}\left(\frac{1}{T^2}+\frac{n^3}{T^3}\right)$ rate for sums of quadratics. On the other hand, the tightest known lower bound postulates an $\Omega\left(\frac{1}{T^2}+\frac{n^2}{T^3}\right)$ rate, leaving open the possibility of better SGDo convergence rates in the general case. In this paper, we close this gap and show that SGD without replacement achieves a rate of $\mathcal{O}\left(\frac{1}{T^2}+\frac{n^2}{T^3}\right)$ when the sum of the functions is a quadratic, and offer a new lower bound of $\Omega\left(\frac{n}{T^2}\right)$ for strongly convex functions that are sums of smooth functions.

The goal of neural-symbolic computation is to integrate the connectionist and symbolist paradigms. Prior methods learn the neural-symbolic models using reinforcement learning (RL) approaches, which ignore the error propagation in the symbolic reasoning module and thus converge slowly with sparse rewards. In this paper, we address these issues and close the loop of neural-symbolic learning by (1) introducing the grammar model as a symbolic prior to bridge neural perception and symbolic reasoning, and (2) proposing a novel back-search algorithm which mimics the top-down human-like learning procedure to propagate the error through the symbolic reasoning module efficiently. We further interpret the proposed learning framework as maximum likelihood estimation using Markov chain Monte Carlo sampling and the back-search algorithm as a Metropolis-Hastings sampler. The experiments are conducted on two weakly-supervised neural-symbolic tasks: (1) handwritten formula recognition on the newly introduced HWF dataset; (2) visual question answering on the CLEVR dataset. The results show that our approach significantly outperforms the RL methods in terms of performance, converging speed, and data efficiency. Our code and data are released at https://liqing-ustc.github.io/NGS.

Standard reinforcement learning (RL) aims to find an optimal policy that identifies the best action for each state. However, in healthcare settings, many actions may be near-equivalent with respect to the reward (e.g., survival). We consider an alternative objective – learning set-valued policies to capture near-equivalent actions that lead to similar cumulative rewards. We propose a model-free algorithm based on temporal difference learning and a near-greedy heuristic for action selection. We analyze the theoretical properties of the proposed algorithm, providing optimality guarantees and demonstrate our approach on simulated environments and a real clinical task. Empirically, the proposed algorithm exhibits good convergence properties and discovers meaningful near-equivalent actions. Our work provides theoretical, as well as practical, foundations for clinician/human-in-the-loop decision making, in which humans (e.g., clinicians, patients) can incorporate additional knowledge (e.g., side effects, patient preference) when selecting among near-equivalent actions.

We consider imbalanced classification, the problem in which a label may have low marginal probability relative to other labels, by weighting losses according to the correct class. First, we examine the convergence rates of the expected excess weighted risk of plug-in classifiers where the weighting for the plug-in classifier and the risk may be different. This leads to irreducible errors that do not converge to the weighted Bayes risk, which motivates our consideration of robust risks. We define a robust risk that minimizes risk over a set of weightings, show excess risk bounds for this problem, and demonstrate that particular choices of the weighting set leads to a special instance of conditional value at risk (CVaR) from stochastic programming, which we call label conditional value at risk (LCVaR). Additionally, we generalize this weighting to derive a new robust risk problem that we call label heterogeneous conditional value at risk (LHCVaR). Finally, we empirically demonstrate the efficacy of LCVaR and LHCVaR on improving class conditional risks.

The focus of this paper is on intrinsic methods to detect overfitting. By intrinsic methods, we mean methods that rely only on the model and the training data, as opposed to traditional methods (we call them extrinsic methods) that rely on performance on a test set or on bounds from model complexity. We propose a family of intrinsic methods called Counterfactual Simulation (CFS) which analyze the flow of training examples through the model by identifying and perturbing rare patterns. By applying CFS to logic circuits we get a method that has no hyper-parameters and works uniformly across different types of models such as neural networks, random forests and lookup tables. Experimentally, CFS can separate models with different levels of overfit using only their logic circuit representations without any access to the high level structure. By comparing lookup tables, neural networks, and random forests using CFS, we get insight into why neural networks generalize. In particular, we find that stochastic gradient descent in neural nets does not lead to "brute force" memorization, but finds common patterns (whether we train with actual or randomized labels), and neural networks are not unlike forests in this regard. Finally, we identify a limitation with our proposal that makes it unsuitable in an adversarial setting, but points the way to future work on robust intrinsic methods.

The way that people make choices or exhibit preferences can be strongly affected by the set of available alternatives, often called the choice set. Furthermore, there are usually heterogeneous preferences, either at an individual level within small groups or within sub-populations of large groups. Given the availability of choice data, there are now many models that capture this behavior in order to make effective predictions—however, there is little work in understanding how directly changing the choice set can be used to influence the preferences of a collection of decision-makers. Here, we use discrete choice modeling to develop an optimization framework of such interventions for several problems of group influence, namely maximizing agreement or disagreement and promoting a particular choice. We show that these problems are NP-hard in general, but imposing restrictions reveals a fundamental boundary: promoting a choice can be easier than encouraging consensus or sowing discord. We design approximation algorithms for the hard problems and show that they work well on real-world choice data.

The main approach to defining equivalence among acyclic directed causal graphical models is based on the conditional independence relationships in the distributions that the causal models can generate, in terms of the Markov equivalence. However, it is known that when cycles are allowed in the causal structure, conditional independence may not be a suitable notion for equivalence of two structures, as it does not reflect all the information in the distribution that is useful for identification of the underlying structure. In this paper, we present a general, unified notion of equivalence for linear Gaussian causal directed graphical models, whether they are cyclic or acyclic. In our proposed definition of equivalence, two structures are equivalent if they can generate the same set of data distributions. We also propose a weaker notion of equivalence called quasi-equivalence, which we show is the extent of identifiability from observational data. We propose analytic as well as graphical methods for characterizing the equivalence of two structures. Additionally, we propose a score-based method for learning the structure from observational data, which successfully deals with both acyclic and cyclic structures.

Convolutional Neural Networks (CNNs) are typically constructed by stacking multiple building blocks, each of which contains a normalization layer such as batch normalization (BN) and a rectified linear function such as ReLU. However, this work shows that the combination of normalization and rectified linear function leads to inhibited channels, which have small magnitude and contribute little to the learned feature representation, impeding the generalization ability of CNNs. Unlike prior arts that simply removed the inhibited channels, we propose to “wake them up” during training by designing a novel neural building block, termed Channel Equilibrium (CE) block, which enables channels at the same layer to contribute equally to the learned representation. We show that CE is able to prevent inhibited channels both empirically and theoretically. CE has several appealing benefits. (1) It can be integrated into many advanced CNN architectures such as ResNet and MobileNet, outperforming their original networks. (2) CE has an interesting connection with the Nash Equilibrium, a well-known solution of a non-cooperative game. (3) Extensive experiments show that CE achieves state-of-the-art performance on various challenging benchmarks such as ImageNet and COCO.