ICML 2020 论文列表

We build a Bayesian contextual classification model using an optimistic score ratio for robust binary classification when there is limited information on the class-conditional, or contextual, distribution. The optimistic score searches for the distribution that is most plausible to explain the observed outcomes in the testing sample among all distributions belonging to the contextual ambiguity set which is prescribed using a limited structural constraint on the mean vector and the covariance matrix of the underlying contextual distribution. We show that the Bayesian classifier using the optimistic score ratio is conceptually attractive, delivers solid statistical guarantees and is computationally tractable. We showcase the power of the proposed optimistic score ratio classifier on both synthetic and empirical data.

Many applications require sparse neural networks due to space or inference time restrictions. There is a large body of work on training dense networks to yield sparse networks for inference, but this limits the size of the largest trainable sparse model to that of the largest trainable dense model. In this paper we introduce a method to train sparse neural networks with a fixed parameter count and a fixed computational cost throughout training, without sacrificing accuracy relative to existing dense-to-sparse training methods. Our method updates the topology of the sparse network during training by using parameter magnitudes and infrequent gradient calculations. We show that this approach requires fewer floating-point operations (FLOPs) to achieve a given level of accuracy compared to prior techniques. We demonstrate state-of-the-art sparse training results on a variety of networks and datasets, including ResNet-50, MobileNets on Imagenet-2012, and RNNs on WikiText-103. Finally, we provide some insights into why allowing the topology to change during the optimization can overcome local minima encountered when the topology remains static.

Exploration is widely regarded as one of the most challenging aspects of reinforcement learning (RL), with many naive approaches succumbing to exponential sample complexity. To isolate the challenges of exploration, we propose the following “reward-free RL” framework. In the exploration phase, the agent first collects trajectories from an MDP $M$ without a pre-specified reward function. After exploration, it is tasked with computing a near-policies under the transitions of $\mathcal{M}$ for a collection of given reward functions. This framework is particularly suitable where there are many reward functions of interest, or where the reward function is shaped by an external agent to elicit desired behavior. We give an efficient algorithm that conducts $\widetilde{O}(S^2A\mathrm{poly}(H)/\epsilon^2)$ episodes of exploration, and returns $\epsilon$-suboptimal policies for an arbitrary number of reward functions. We achieve this by finding exploratory policies that jointly visit each “significant” state with probability proportional to its maximum visitation probability under any possible policy. Moreover, our planning procedure can be instantiated by any black-box approximate planner, such as value iteration or natural policy gradient. Finally, we give a nearly-matching $\Omega(S^2AH^2/\epsilon^2)$ lower bound, demonstrating the near-optimality of our algorithm in this setting.

Deep Metric Learning (DML) is arguably one of the most influential lines of research for learning visual similarities with many proposed approaches every year. Although the field benefits from the rapid progress, the divergence in training protocols, architectures, and parameter choices make an unbiased comparison difficult. To provide a consistent reference point, we revisit the most widely used DML objective functions and conduct a study of the crucial parameter choices as well as the commonly neglected mini-batch sampling process. Under consistent comparison, DML objectives show much higher saturation than indicated by literature. Further based on our analysis, we uncover a correlation between the embedding space density and compression to the generalization performance of DML models. Exploiting these insights, we propose a simple, yet effective, training regularization to reliably boost the performance of ranking-based DML models on various standard benchmark datasets. Code and a publicly accessible WandB-repo are available at https://github.com/Confusezius/Revisiting_Deep_Metric_Learning_PyTorch.

Convolutional neural networks are among the most successful architectures in deep learning with this success at least partially attributable to the efficacy of spatial invariance as an inductive bias. Locally connected layers, which differ from convolutional layers only in their lack of spatial invariance, usually perform poorly in practice. However, these observations still leave open the possibility that some degree of relaxation of spatial invariance may yield a better inductive bias than either convolution or local connectivity. To test this hypothesis, we design a method to relax the spatial invariance of a network layer in a controlled manner; we create a \emph{low-rank} locally connected layer, where the filter bank applied at each position is constructed as a linear combination of basis set of filter banks with spatially varying combining weights. By varying the number of basis filter banks, we can control the degree of relaxation of spatial invariance. In experiments with small convolutional networks, we find that relaxing spatial invariance improves classification accuracy over both convolution and locally connected layers across MNIST, CIFAR-10, and CelebA datasets, thus suggesting that spatial invariance may be an overly restrictive prior.

Experience replay is central to off-policy algorithms in deep reinforcement learning (RL), but there remain significant gaps in our understanding. We therefore present a systematic and extensive analysis of experience replay in Q-learning methods, focusing on two fundamental properties: the replay capacity and the ratio of learning updates to experience collected (replay ratio). Our additive and ablative studies upend conventional wisdom around experience replay {—} greater capacity is found to substantially increase the performance of certain algorithms, while leaving others unaffected. Counterintuitively we show that theoretically ungrounded, uncorrected n-step returns are uniquely beneficial while other techniques confer limited benefit for sifting through larger memory. Separately, by directly controlling the replay ratio we contextualize previous observations in the literature and empirically measure its importance across a variety of deep RL algorithms. Finally, we conclude by testing a set of hypotheses on the nature of these performance benefits.

The output of a neural network depends on its architecture and weights in a highly nonlinear way, and it is often assumed that a network’s parameters cannot be recovered from its output. Here, we prove that, in fact, it is frequently possible to reconstruct the architecture, weights, and biases of a deep ReLU network by observing only its output. We leverage the fact that every ReLU network defines a piecewise linear function, where the boundaries between linear regions correspond to inputs for which some neuron in the network switches between inactive and active ReLU states. By dissecting the set of region boundaries into components associated with particular neurons, we show both theoretically and empirically that it is possible to recover the weights of neurons and their arrangement within the network, up to isomorphism.

Retrosynthetic planning is a critical task in organic chemistry which identifies a series of reactions that can lead to the synthesis of a target product. The vast number of possible chemical transformations makes the size of the search space very big, and retrosynthetic planning is challenging even for experienced chemists. However, existing methods either require expensive return estimation by rollout with high variance, or optimize for search speed rather than the quality. In this paper, we propose Retro*, a neural-based A*-like algorithm that finds high-quality synthetic routes efficiently. It maintains the search as an AND-OR tree, and learns a neural search bias with off-policy data. Then guided by this neural network, it performs best-first search efficiently during new planning episodes. Experiments on benchmark USPTO datasets show that, our proposed method outperforms existing state-of-the-art with respect to both the success rate and solution quality, while being more efficient at the same time.

Language model pre-training has been shown to capture a surprising amount of world knowledge, crucial for NLP tasks such as question answering. However, this knowledge is stored implicitly in the parameters of a neural network, requiring ever-larger networks to cover more facts. To capture knowledge in a more modular and interpretable way, we augment language model pre-training with a latent knowledge retriever, which allows the model to retrieve and attend over documents from a large corpus such as Wikipedia, used during pre-training, fine-tuning and inference. For the first time, we show how to pre-train such a knowledge retriever in an unsupervised manner, using masked language modeling as the learning signal and backpropagating through a retrieval step that considers millions of documents. We demonstrate the effectiveness of Retrieval-Augmented Language Model pre-training (REALM) by fine-tuning on the challenging task of Open-domain Question Answering (Open-QA). We compare against state-of-the-art models for both explicit and implicit knowledge storage on three popular Open-QA benchmarks, and find that we outperform all previous methods by a significant margin (4-16% absolute accuracy), while also providing qualitative benefits such as interpretability and modularity.

The classical bias-variance trade-off predicts that bias decreases and variance increase with model complexity, leading to a U-shaped risk curve. Recent work calls this into question for neural networks and other over-parameterized models, for which it is often observed that larger models generalize better. We provide a simple explanation of this by measuring the bias and variance of neural networks: while the bias is \emph{monotonically decreasing} as in the classical theory, the variance is \emph{unimodal} or bell-shaped: it increases then decreases with the width of the network. We vary the network architecture, loss function, and choice of dataset and confirm that variance unimodality occurs robustly for all models we considered. The risk curve is the sum of the bias and variance curves and displays different qualitative shapes depending on the relative scale of bias and variance, with the double descent in the recent literature as a special case. We corroborate these empirical results with a theoretical analysis of two-layer linear networks with random first layer. Finally, evaluation on out-of-distribution data shows that most of the drop in accuracy comes from increased bias while variance increases by a relatively small amount. Moreover, we find that deeper models decrease bias and increase variance for both in-distribution and out-of-distribution data.

we consider the problem of sequential change-point detection where both the change-points and the distributions before and after the change are assumed to be unknown. For this problem of primary importance in statistical and sequential learning theory, we derive a variant of the Bayesian Online Change Point Detector proposed by \cite{fearnhead2007line} which is easier to analyze than the original version while keeping its powerful message-passing algorithm. We provide a non-asymptotic analysis of the false-alarm rate and the detection delay that matches the existing lower-bound. We further provide the first explicit high-probability control of the detection delay for such approach. Experiments on synthetic and real-world data show that this proposal outperforms the state-of-art change-point detection strategy, namely the Improved Generalized Likelihood Ratio (Improved GLR) while compares favorably with the original Bayesian Online Change Point Detection strategy.

Lagrangian methods are widely used algorithms for constrained optimization problems, but their learning dynamics exhibit oscillations and overshoot which, when applied to safe reinforcement learning, leads to constraint-violating behavior during agent training. We address this shortcoming by proposing a novel Lagrange multiplier update method that utilizes derivatives of the constraint function. We take a controls perspective, wherein the traditional Lagrange multiplier update behaves as \emph{integral} control; our terms introduce \emph{proportional} and \emph{derivative} control, achieving favorable learning dynamics through damping and predictive measures. We apply our PID Lagrangian methods in deep RL, setting a new state of the art in Safety Gym, a safe RL benchmark. Lastly, we introduce a new method to ease controller tuning by providing invariance to the relative numerical scales of reward and cost. Our extensive experiments demonstrate improved performance and hyperparameter robustness, while our algorithms remain nearly as simple to derive and implement as the traditional Lagrangian approach.

We study revenue optimization learning algorithms for repeated second-price auctions with reserve where a seller interacts with multiple strategic bidders each of which holds a fixed private valuation for a good and seeks to maximize his expected future cumulative discounted surplus. We propose a novel algorithm that has strategic regret upper bound of $O(\log\log T)$ for worst-case valuations. This pricing is based on our novel transformation that upgrades an algorithm designed for the setup with a single buyer to the multi-buyer case. We provide theoretical guarantees on the ability of a transformed algorithm to learn the valuation of a strategic buyer, which has uncertainty about the future due to the presence of rivals.

Unordered, variable-sized inputs arise in many settings across multiple fields. The ability for set- and multiset-oriented neural networks to handle this type of input has been the focus of much work in recent years. We propose to represent multisets using complex-weighted

Reinforcement learning with function approximation can be unstable and even divergent, especially when combined with off-policy learning and Bellman updates. In deep reinforcement learning, these issues have been dealt with empirically by adapting and regularizing the representation, in particular with auxiliary tasks. This suggests that representation learning may provide a means to guarantee stability. In this paper, we formally show that there are indeed nontrivial state representations under which the canonical SARSA algorithm is stable, even when learning off-policy. We analyze representation learning schemes that are based on the transition matrix of a policy, such as proto-value functions, along three axes: approximation error, stability, and ease of estimation. In the most general case of a defective transition matrix, we show that a Schur basis provides convergence guarantees, but is difficult to estimate from samples. For a fixed reward function, we find that an orthogonal basis of the corresponding Krylov subspace is an even better choice. We conclude by empirically demonstrating that these stable representations can be learned using stochastic gradient descent, opening the door to improved techniques for representation learning with deep networks.

In this paper, we study the problem of learning compact (low-dimensional) representations for sequential data that captures its implicit spatio-temporal cues. To maximize extraction of such informative cues from the data, we set the problem within the context of contrastive representation learning and to that end propose a novel objective via optimal transport. Specifically, our formulation seeks a low-dimensional subspace representation of the data that jointly (i) maximizes the distance of the data (embedded in this subspace) from an adversarial data distribution under the optimal transport, a.k.a. the Wasserstein distance, (ii) captures the temporal order, and (iii) minimizes the data distortion. To generate the adversarial distribution, we propose a novel framework connecting Wasserstein GANs with a classifier, allowing a principled mechanism for producing good negative distributions for contrastive learning, which is currently a challenging problem. Our full objective is cast as a subspace learning problem on the Grassmann manifold and solved via Riemannian optimization. To empirically study our formulation, we provide experiments on the task of human action recognition in video sequences. Our results demonstrate competitive performance against challenging baselines.

The field of defense strategies against adversarial attacks has significantly grown over the last years, but progress is hampered as the evaluation of adversarial defenses is often insufficient and thus gives a wrong impression of robustness. Many promising defenses could be broken later on, making it difficult to identify the state-of-the-art. Frequent pitfalls in the evaluation are improper tuning of hyperparameters of the attacks, gradient obfuscation or masking. In this paper we first propose two extensions of the PGD-attack overcoming failures due to suboptimal step size and problems of the objective function. We then combine our novel attacks with two complementary existing ones to form a parameter-free, computationally affordable and user-independent ensemble of attacks to test adversarial robustness. We apply our ensemble to over 50 models from papers published at recent top machine learning and computer vision venues. In all except one of the cases we achieve lower robust test accuracy than reported in these papers, often by more than $10%$, identifying several broken defenses.

Devising indicative evaluation metrics for the image generation task remains an open problem. The most widely used metric for measuring the similarity between real and generated images has been the Frechet Inception Distance (FID) score. Since it does not differentiate the fidelity and diversity aspects of the generated images, recent papers have introduced variants of precision and recall metrics to diagnose those properties separately. In this paper, we show that even the latest version of the precision and recall metrics are not reliable yet. For example, they fail to detect the match between two identical distributions, they are not robust against outliers, and the evaluation hyperparameters are selected arbitrarily. We propose density and coverage metrics that solve the above issues. We analytically and experimentally show that density and coverage provide more interpretable and reliable signals for practitioners than the existing metrics.

We show that normalising flows become pathological when used to model targets whose supports have complicated topologies. In this scenario, we prove that a flow must become arbitrarily numerically noninvertible in order to approximate the target closely. This result has implications for all flow-based models, and especially residual flows (ResFlows), which explicitly control the Lipschitz constant of the bijection used. To address this, we propose continuously indexed flows (CIFs), which replace the single bijection used by normalising flows with a continuously indexed family of bijections, and which can intuitively "clean up" mass that would otherwise be misplaced by a single bijection. We show theoretically that CIFs are not subject to the same topological limitations as normalising flows, and obtain better empirical performance on a variety of models and benchmarks.