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Disentangling Disease-related Representation from Obscure for Disease Prediction | null | Disease-related representations play a crucial role in image-based disease prediction such as cancer diagnosis, due to its considerable generalization capacity. However, it is still a challenge to identify lesion characteristics in obscured images, as many lesions are obscured by other tissues. In this paper, to learn the representations for identifying obscured lesions, we propose a disentanglement learning strategy under the guidance of alpha blending generation in an encoder-decoder framework (DAB-Net). Specifically, we take mammogram mass benign/malignant classification as an example. In our framework, composite obscured mass images are generated by alpha blending and then explicitly disentangled into disease-related mass features and interference glands features. To achieve disentanglement learning, features of these two parts are decoded to reconstruct the mass and the glands with corresponding reconstruction losses, and only disease-related mass features are fed into the classifier for disease prediction. Experimental results on one public dataset DDSM and three in-house datasets demonstrate that the proposed strategy can achieve state-of-the-art performance. DAB-Net achieves substantial improvements of 3.9%~4.4% AUC in obscured cases. Besides, the visualization analysis shows the model can better disentangle the mass and glands in the obscured image, suggesting the effectiveness of our solution in exploring the hidden characteristics in this challenging problem. | Chu-Ran Wang, Fei Gao, Fandong Zhang, Fangwei Zhong, Yizhou Yu, Yizhou Wang | null | null | 2,022 | icml |
Improved Certified Defenses against Data Poisoning with (Deterministic) Finite Aggregation | null | Data poisoning attacks aim at manipulating model behaviors through distorting training data. Previously, an aggregation-based certified defense, Deep Partition Aggregation (DPA), was proposed to mitigate this threat. DPA predicts through an aggregation of base classifiers trained on disjoint subsets of data, thus restricting its sensitivity to dataset distortions. In this work, we propose an improved certified defense against general poisoning attacks, namely Finite Aggregation. In contrast to DPA, which directly splits the training set into disjoint subsets, our method first splits the training set into smaller disjoint subsets and then combines duplicates of them to build larger (but not disjoint) subsets for training base classifiers. This reduces the worst-case impacts of poison samples and thus improves certified robustness bounds. In addition, we offer an alternative view of our method, bridging the designs of deterministic and stochastic aggregation-based certified defenses. Empirically, our proposed Finite Aggregation consistently improves certificates on MNIST, CIFAR-10, and GTSRB, boosting certified fractions by up to 3.05%, 3.87% and 4.77%, respectively, while keeping the same clean accuracies as DPA’s, effectively establishing a new state of the art in (pointwise) certified robustness against data poisoning. | Wenxiao Wang, Alexander J Levine, Soheil Feizi | null | null | 2,022 | icml |
Communication-Efficient Adaptive Federated Learning | null | Federated learning is a machine learning training paradigm that enables clients to jointly train models without sharing their own localized data. However, the implementation of federated learning in practice still faces numerous challenges, such as the large communication overhead due to the repetitive server-client synchronization and the lack of adaptivity by SGD-based model updates. Despite that various methods have been proposed for reducing the communication cost by gradient compression or quantization, and the federated versions of adaptive optimizers such as FedAdam are proposed to add more adaptivity, the current federated learning framework still cannot solve the aforementioned challenges all at once. In this paper, we propose a novel communication-efficient adaptive federated learning method (FedCAMS) with theoretical convergence guarantees. We show that in the nonconvex stochastic optimization setting, our proposed FedCAMS achieves the same convergence rate of $O(\frac{1}{\sqrt{TKm}})$ as its non-compressed counterparts. Extensive experiments on various benchmarks verify our theoretical analysis. | Yujia Wang, Lu Lin, Jinghui Chen | null | null | 2,022 | icml |
Improving Screening Processes via Calibrated Subset Selection | null | Many selection processes such as finding patients qualifying for a medical trial or retrieval pipelines in search engines consist of multiple stages, where an initial screening stage focuses the resources on shortlisting the most promising candidates. In this paper, we investigate what guarantees a screening classifier can provide, independently of whether it is constructed manually or trained. We find that current solutions do not enjoy distribution-free theoretical guarantees and we show that, in general, even for a perfectly calibrated classifier, there always exist specific pools of candidates for which its shortlist is suboptimal. Then, we develop a distribution-free screening algorithm—called Calibrated Subsect Selection (CSS)—that, given any classifier and some amount of calibration data, finds near-optimal shortlists of candidates that contain a desired number of qualified candidates in expectation. Moreover, we show that a variant of CSS that calibrates a given classifier multiple times across specific groups can create shortlists with provable diversity guarantees. Experiments on US Census survey data validate our theoretical results and show that the shortlists provided by our algorithm are superior to those provided by several competitive baselines. | Lequn Wang, Thorsten Joachims, Manuel Gomez Rodriguez | null | null | 2,022 | icml |
Iterative Double Sketching for Faster Least-Squares Optimization | null | This work is concerned with the overdetermined linear least-squares problem for large scale data. We generalize the iterative Hessian sketching (IHS) algorithm and propose a new sketching framework named iterative double sketching (IDS) which uses approximations for both the gradient and the Hessian in each iteration. To understand the behavior of the IDS algorithm and choose the optimal hyperparameters, we derive the exact limit of the conditional prediction error of the IDS algorithm in the setting of Gaussian sketching. Guided by this theoretical result, we propose an efficient IDS algorithm via a new class of sequentially related sketching matrices. We give a non-asymptotic analysis of this efficient IDS algorithm which shows that the proposed algorithm achieves the state-of-the-art trade-off between accuracy and efficiency. | Rui Wang, Yanyan Ouyang, Wangli Xu | null | null | 2,022 | icml |
Convergence and Recovery Guarantees of the K-Subspaces Method for Subspace Clustering | null | The K-subspaces (KSS) method is a generalization of the K-means method for subspace clustering. In this work, we present local convergence analysis and a recovery guarantee for KSS, assuming data are generated by the semi-random union of subspaces model, where $N$ points are randomly sampled from $K \ge 2$ overlapping subspaces. We show that if the initial assignment of the KSS method lies within a neighborhood of a true clustering, it converges at a superlinear rate and finds the correct clustering within $\Theta(\log\log N)$ iterations with high probability. Moreover, we propose a thresholding inner-product based spectral method for initialization and prove that it produces a point in this neighborhood. We also present numerical results of the studied method to support our theoretical developments. | Peng Wang, Huikang Liu, Anthony Man-Cho So, Laura Balzano | null | null | 2,022 | icml |
What Language Model Architecture and Pretraining Objective Works Best for Zero-Shot Generalization? | null | Large pretrained Transformer language models have been shown to exhibit zero-shot generalization, i.e. they can perform a wide variety of tasks that they were not explicitly trained on. However, the architectures and pretraining objectives used across state-of-the-art models differ significantly, and there has been limited systematic comparison of these factors. In this work, we present a large-scale evaluation of modeling choices and their impact on zero-shot generalization. In particular, we focus on text-to-text models and experiment with three model architectures (causal/non-causal decoder-only and encoder-decoder), trained with two different pretraining objectives (autoregressive and masked language modeling), and evaluated with and without multitask prompted finetuning. We train models with over 5 billion parameters for more than 168 billion tokens, thereby increasing the likelihood that our conclusions will transfer to even larger scales. Our experiments show that causal decoder-only models trained on an autoregressive language modeling objective exhibit the strongest zero-shot generalization after purely self-supervised pretraining. However, models with non-causal visibility on their input trained with a masked language modeling objective followed by multitask finetuning perform the best among our experiments. We therefore consider the adaptation of pretrained models across architectures and objectives. Code and checkpoints are available at https://github.com/bigscience- workshop/architecture-objective. | Thomas Wang, Adam Roberts, Daniel Hesslow, Teven Le Scao, Hyung Won Chung, Iz Beltagy, Julien Launay, Colin Raffel | null | null | 2,022 | icml |
ProgFed: Effective, Communication, and Computation Efficient Federated Learning by Progressive Training | null | Federated learning is a powerful distributed learning scheme that allows numerous edge devices to collaboratively train a model without sharing their data. However, training is resource-intensive for edge devices, and limited network bandwidth is often the main bottleneck. Prior work often overcomes the constraints by condensing the models or messages into compact formats, e.g., by gradient compression or distillation. In contrast, we propose ProgFed, the first progressive training framework for efficient and effective federated learning. It inherently reduces computation and two-way communication costs while maintaining the strong performance of the final models. We theoretically prove that ProgFed converges at the same asymptotic rate as standard training on full models. Extensive results on a broad range of architectures, including CNNs (VGG, ResNet, ConvNets) and U-nets, and diverse tasks from simple classification to medical image segmentation show that our highly effective training approach saves up to $20%$ computation and up to $63%$ communication costs for converged models. As our approach is also complimentary to prior work on compression, we can achieve a wide range of trade-offs by combining these techniques, showing reduced communication of up to $50\times$ at only $0.1%$ loss in utility. Code is available at https://github.com/a514514772/ProgFed. | Hui-Po Wang, Sebastian Stich, Yang He, Mario Fritz | null | null | 2,022 | icml |
Three-stage Evolution and Fast Equilibrium for SGD with Non-degerate Critical Points | null | We justify the fast equilibrium conjecture on stochastic gradient descent from (Li et al. 2020) under the assumptions that critical points are non-degenerate and the stochastic noise is a standard Gaussian. In this case, we prove an SGD with constant effective learning rate consists of three stages: descent, diffusion and tunneling, and explicitly identify temporary equilibrium states in the normalized parameter space that can be observed within practical training time. This interprets the gap between the mixing time in the fast equilibrium conjecture and the previously known upper bound. While our assumptions do not represent typical implementations of SGD of neural networks in practice, this is the first description of the three-stage mechanism in any case. The main finding in this mechanism is that a temporary equilibrium of local nature is quickly achieved after polynomial time (in term of the reciprocal of the intrinsic learning rate) and then stabilizes within observable time scales; and that the temporary equilibrium is in general different from the global Gibbs equilibrium, which will only appear after an exponentially long period beyond typical training limits. Our experiments support that this mechanism may extend to the general case. | Yi Wang, Zhiren Wang | null | null | 2,022 | icml |
Risk-Averse No-Regret Learning in Online Convex Games | null | We consider an online stochastic game with risk-averse agents whose goal is to learn optimal decisions that minimize the risk of incurring significantly high costs. Specifically, we use the Conditional Value at Risk (CVaR) as a risk measure that the agents can estimate using bandit feedback in the form of the cost values of only their selected actions. Since the distributions of the cost functions depend on the actions of all agents that are generally unobservable, they are themselves unknown and, therefore, the CVaR values of the costs are difficult to compute. To address this challenge, we propose a new online risk-averse learning algorithm that relies on one-point zeroth-order estimation of the CVaR gradients computed using CVaR values that are estimated by appropriately sampling the cost functions. We show that this algorithm achieves sub-linear regret with high probability. We also propose two variants of this algorithm that improve performance. The first variant relies on a new sampling strategy that uses samples from the previous iteration to improve the estimation accuracy of the CVaR values. The second variant employs residual feedback that uses CVaR values from the previous iteration to reduce the variance of the CVaR gradient estimates. We theoretically analyze the convergence properties of these variants and illustrate their performance on an online market problem that we model as a Cournot game. | Zifan Wang, Yi Shen, Michael Zavlanos | null | null | 2,022 | icml |
Improving Task-free Continual Learning by Distributionally Robust Memory Evolution | null | Task-free continual learning (CL) aims to learn a non-stationary data stream without explicit task definitions and not forget previous knowledge. The widely adopted memory replay approach could gradually become less effective for long data streams, as the model may memorize the stored examples and overfit the memory buffer. Second, existing methods overlook the high uncertainty in the memory data distribution since there is a big gap between the memory data distribution and the distribution of all the previous data examples. To address these problems, for the first time, we propose a principled memory evolution framework to dynamically evolve the memory data distribution by making the memory buffer gradually harder to be memorized with distributionally robust optimization (DRO). We then derive a family of methods to evolve the memory buffer data in the continuous probability measure space with Wasserstein gradient flow (WGF). The proposed DRO is w.r.t the worst-case evolved memory data distribution, thus guarantees the model performance and learns significantly more robust features than existing memory-replay-based methods. Extensive experiments on existing benchmarks demonstrate the effectiveness of the proposed methods for alleviating forgetting. As a by-product of the proposed framework, our method is more robust to adversarial examples than existing task-free CL methods. | Zhenyi Wang, Li Shen, Le Fang, Qiuling Suo, Tiehang Duan, Mingchen Gao | null | null | 2,022 | icml |
DRAGONN: Distributed Randomized Approximate Gradients of Neural Networks | null | Data-parallel distributed training (DDT) has become the de-facto standard for accelerating the training of most deep learning tasks on massively parallel hardware. In the DDT paradigm, the communication overhead of gradient synchronization is the major efficiency bottleneck. A widely adopted approach to tackle this issue is gradient sparsification (GS). However, the current GS methods introduce significant new overhead in compressing the gradients, outweighing the communication overhead and becoming the new efficiency bottleneck. In this paper, we propose DRAGONN, a randomized hashing algorithm for GS in DDT. DRAGONN can significantly reduce the compression time by up to 70% compared to state-of-the-art GS approaches, and achieve up to 3.52x speedup in total training throughput. | Zhuang Wang, Zhaozhuo Xu, Xinyu Wu, Anshumali Shrivastava, T. S. Eugene Ng | null | null | 2,022 | icml |
Multiple-Play Stochastic Bandits with Shareable Finite-Capacity Arms | null | We generalize the multiple-play multi-armed bandits (MP-MAB) problem with a shareable arms setting, in which several plays can share the same arm. Furthermore, each shareable arm has a finite reward capacity and a “per-load” reward distribution, both of which are unknown to the learner. The reward from a shareable arm is load-dependent, which is the “per-load” reward multiplying either the number of plays pulling the arm, or its reward capacity when the number of plays exceeds the capacity limit. When the “per-load” reward follows a Gaussian distribution, we prove a sample complexity lower bound of learning the capacity from load-dependent rewards and also a regret lower bound of this new MP-MAB problem. We devise a capacity estimator whose sample complexity upper bound matches the lower bound in terms of reward means and capacities. We also propose an online learning algorithm to address the problem and prove its regret upper bound. This regret upper bound’s first term is the same as regret lower bound’s, and its second and third terms also evidently correspond to lower bound’s. Extensive experiments validate our algorithm’s performance and also its gain in 5G & 4G base station selection. | Xuchuang Wang, Hong Xie, John C. S. Lui | null | null | 2,022 | icml |
Tractable Uncertainty for Structure Learning | null | Bayesian structure learning allows one to capture uncertainty over the causal directed acyclic graph (DAG) responsible for generating given data. In this work, we present Tractable Uncertainty for STructure learning (TRUST), a framework for approximate posterior inference that relies on probabilistic circuits as a representation of our posterior belief. In contrast to sample-based posterior approximations, our representation can capture a much richer space of DAGs, while being able to tractably answer a range of useful inference queries. We empirically demonstrate how probabilistic circuits can be used to as an augmented representation for structure learning methods, leading to improvement in both the quality of inferred structures and posterior uncertainty. Experimental results also demonstrate the improved representational capacity of TRUST, outperforming competing methods on conditional query answering. | Benjie Wang, Matthew R Wicker, Marta Kwiatkowska | null | null | 2,022 | icml |
Nonparametric Embeddings of Sparse High-Order Interaction Events | null | High-order interaction events are common in real-world applications. Learning embeddings that encode the complex relationships of the participants from these events is of great importance in knowledge mining and predictive tasks. Despite the success of existing approaches, e.g. Poisson tensor factorization, they ignore the sparse structure underlying the data, namely the occurred interactions are far less than the possible interactions among all the participants. In this paper, we propose Nonparametric Embeddings of Sparse High-order interaction events (NESH). We hybridize a sparse hypergraph (tensor) process and a matrix Gaussian process to capture both the asymptotic structural sparsity within the interactions and nonlinear temporal relationships between the participants. We prove strong asymptotic bounds (including both a lower and an upper bound ) of the sparse ratio, which reveals the asymptotic properties of the sampled structure. We use batch-normalization, stick-breaking construction and sparse variational GP approximations to develop an efficient, scalable model inference algorithm. We demonstrate the advantage of our approach in several real-world applications. | Zheng Wang, Yiming Xu, Conor Tillinghast, Shibo Li, Akil Narayan, Shandian Zhe | null | null | 2,022 | icml |
Approximately Equivariant Networks for Imperfectly Symmetric Dynamics | null | Incorporating symmetry as an inductive bias into neural network architecture has led to improvements in generalization, data efficiency, and physical consistency in dynamics modeling. Methods such as CNNs or equivariant neural networks use weight tying to enforce symmetries such as shift invariance or rotational equivariance. However, despite the fact that physical laws obey many symmetries, real-world dynamical data rarely conforms to strict mathematical symmetry either due to noisy or incomplete data or to symmetry breaking features in the underlying dynamical system. We explore approximately equivariant networks which are biased towards preserving symmetry but are not strictly constrained to do so. By relaxing equivariance constraints, we find that our models can outperform both baselines with no symmetry bias and baselines with overly strict symmetry in both simulated turbulence domains and real-world multi-stream jet flow. | Rui Wang, Robin Walters, Rose Yu | null | null | 2,022 | icml |
Understanding Instance-Level Impact of Fairness Constraints | null | A variety of fairness constraints have been proposed in the literature to mitigate group-level statistical bias. Their impacts have been largely evaluated for different groups of populations corresponding to a set of sensitive attributes, such as race or gender. Nonetheless, the community has not observed sufficient explorations for how imposing fairness constraints fare at an instance level. Building on the concept of influence function, a measure that characterizes the impact of a training example on the target model and its predictive performance, this work studies the influence of training examples when fairness constraints are imposed. We find out that under certain assumptions, the influence function with respect to fairness constraints can be decomposed into a kernelized combination of training examples. One promising application of the proposed fairness influence function is to identify suspicious training examples that may cause model discrimination by ranking their influence scores. We demonstrate with extensive experiments that training on a subset of weighty data examples leads to lower fairness violations with a trade-off of accuracy. | Jialu Wang, Xin Eric Wang, Yang Liu | null | null | 2,022 | icml |
Causal Dynamics Learning for Task-Independent State Abstraction | null | Learning dynamics models accurately is an important goal for Model-Based Reinforcement Learning (MBRL), but most MBRL methods learn a dense dynamics model which is vulnerable to spurious correlations and therefore generalizes poorly to unseen states. In this paper, we introduce Causal Dynamics Learning for Task-Independent State Abstraction (CDL), which first learns a theoretically proved causal dynamics model that removes unnecessary dependencies between state variables and the action, thus generalizing well to unseen states. A state abstraction can then be derived from the learned dynamics, which not only improves sample efficiency but also applies to a wider range of tasks than existing state abstraction methods. Evaluated on two simulated environments and downstream tasks, both the dynamics model and policies learned by the proposed method generalize well to unseen states and the derived state abstraction improves sample efficiency compared to learning without it. | Zizhao Wang, Xuesu Xiao, Zifan Xu, Yuke Zhu, Peter Stone | null | null | 2,022 | icml |
OFA: Unifying Architectures, Tasks, and Modalities Through a Simple Sequence-to-Sequence Learning Framework | null | In this work, we pursue a unified paradigm for multimodal pretraining to break the shackles of complex task/modality-specific customization. We propose OFA, a Task-Agnostic and Modality-Agnostic framework that supports Task Comprehensiveness. OFA unifies a diverse set of cross-modal and unimodal tasks, including image generation, visual grounding, image captioning, image classification, language modeling, etc., in a simple sequence-to-sequence learning framework. OFA follows the instruction-based learning in both pretraining and finetuning stages, requiring no extra task-specific layers for downstream tasks. In comparison with the recent state-of-the-art vision & language models that rely on extremely large cross-modal datasets, OFA is pretrained on only 20M publicly available image-text pairs. Despite its simplicity and relatively small-scale training data, OFA achieves new SOTAs in a series of cross-modal tasks while attaining highly competitive performances on uni-modal tasks. Our further analysis indicates that OFA can also effectively transfer to unseen tasks and unseen domains. Our code and models are publicly available at https://github.com/OFA-Sys/OFA. | Peng Wang, An Yang, Rui Men, Junyang Lin, Shuai Bai, Zhikang Li, Jianxin Ma, Chang Zhou, Jingren Zhou, Hongxia Yang | null | null | 2,022 | icml |
Thompson Sampling for Robust Transfer in Multi-Task Bandits | null | We study the problem of online multi-task learning where the tasks are performed within similar but not necessarily identical multi-armed bandit environments. In particular, we study how a learner can improve its overall performance across multiple related tasks through robust transfer of knowledge. While an upper confidence bound (UCB)-based algorithm has recently been shown to achieve nearly-optimal performance guarantees in a setting where all tasks are solved concurrently, it remains unclear whether Thompson sampling (TS) algorithms, which have superior empirical performance in general, share similar theoretical properties. In this work, we present a TS-type algorithm for a more general online multi-task learning protocol, which extends the concurrent setting. We provide its frequentist analysis and prove that it is also nearly-optimal using a novel concentration inequality for multi-task data aggregation at random stopping times. Finally, we evaluate the algorithm on synthetic data and show that the TS-type algorithm enjoys superior empirical performance in comparison with the UCB-based algorithm and a baseline algorithm that performs TS for each individual task without transfer. | Zhi Wang, Chicheng Zhang, Kamalika Chaudhuri | null | null | 2,022 | icml |
Provable Domain Generalization via Invariant-Feature Subspace Recovery | null | Domain generalization asks for models trained over a set of training environments to perform well in unseen test environments. Recently, a series of algorithms such as Invariant Risk Minimization (IRM) has been proposed for domain generalization. However, Rosenfeld et al. (2021) shows that in a simple linear data model, even if non-convexity issues are ignored, IRM and its extensions cannot generalize to unseen environments with less than $d_s+1$ training environments, where $d_s$ is the dimension of the spurious-feature subspace. In this paper, we propose to achieve domain generalization with Invariant-feature Subspace Recovery (ISR). Our first algorithm, ISR-Mean, can identify the subspace spanned by invariant features from the first-order moments of the class-conditional distributions, and achieve provable domain generalization with $d_s+1$ training environments under the data model of Rosenfeld et al. (2021). Our second algorithm, ISR-Cov, further reduces the required number of training environments to $O(1)$ using the information of second-order moments. Notably, unlike IRM, our algorithms bypass non-convexity issues and enjoy global convergence guarantees. Empirically, our ISRs can obtain superior performance compared with IRM on synthetic benchmarks. In addition, on three real-world image and text datasets, we show that both ISRs can be used as simple yet effective post-processing methods to improve the worst-case accuracy of (pre-)trained models against spurious correlations and group shifts. | Haoxiang Wang, Haozhe Si, Bo Li, Han Zhao | null | null | 2,022 | icml |
Model-based Meta Reinforcement Learning using Graph Structured Surrogate Models and Amortized Policy Search | null | Reinforcement learning is a promising paradigm for solving sequential decision-making problems, but low data efficiency and weak generalization across tasks are bottlenecks in real-world applications. Model-based meta reinforcement learning addresses these issues by learning dynamics and leveraging knowledge from prior experience. In this paper, we take a closer look at this framework and propose a new posterior sampling based approach that consists of a new model to identify task dynamics together with an amortized policy optimization step. We show that our model, called a graph structured surrogate model (GSSM), achieves competitive dynamics prediction performance with lower model complexity. Moreover, our approach in policy search is able to obtain high returns and allows fast execution by avoiding test-time policy gradient updates. | Qi Wang, Herke Van Hoof | null | null | 2,022 | icml |
Individual Reward Assisted Multi-Agent Reinforcement Learning | null | In many real-world multi-agent systems, the sparsity of team rewards often makes it difficult for an algorithm to successfully learn a cooperative team policy. At present, the common way for solving this problem is to design some dense individual rewards for the agents to guide the cooperation. However, most existing works utilize individual rewards in ways that do not always promote teamwork and sometimes are even counterproductive. In this paper, we propose Individual Reward Assisted Team Policy Learning (IRAT), which learns two policies for each agent from the dense individual reward and the sparse team reward with discrepancy constraints for updating the two policies mutually. Experimental results in different scenarios, such as the Multi-Agent Particle Environment and the Google Research Football Environment, show that IRAT significantly outperforms the baseline methods and can greatly promote team policy learning without deviating from the original team objective, even when the individual rewards are misleading or conflict with the team rewards. | Li Wang, Yupeng Zhang, Yujing Hu, Weixun Wang, Chongjie Zhang, Yang Gao, Jianye Hao, Tangjie Lv, Changjie Fan | null | null | 2,022 | icml |
Nonparametric Factor Trajectory Learning for Dynamic Tensor Decomposition | null | Tensor decomposition is a fundamental framework to analyze data that can be represented by multi-dimensional arrays. In practice, tensor data are often accompanied with temporal information, namely the time points when the entry values were generated. This information implies abundant, complex temporal variation patterns. However, current methods always assume the factor representations of the entities in each tensor mode are static, and never consider their temporal evolution. To fill this gap, we propose NONparametric FActor Trajectory learning for dynamic tensor decomposition (NONFAT). We place Gaussian process (GP) priors in the frequency domain and conduct inverse Fourier transform via Gauss-Laguerre quadrature to sample the trajectory functions. In this way, we can overcome data sparsity and obtain robust trajectory estimates across long time horizons. Given the trajectory values at specific time points, we use a second-level GP to sample the entry values and to capture the temporal relationship between the entities. For efficient and scalable inference, we leverage the matrix Gaussian structure in the model, introduce a matrix Gaussian posterior, and develop a nested sparse variational learning algorithm. We have shown the advantage of our method in several real-world applications. | Zheng Wang, Shandian Zhe | null | null | 2,022 | icml |
Policy Gradient Method For Robust Reinforcement Learning | null | This paper develops the first policy gradient method with global optimality guarantee and complexity analysis for robust reinforcement learning under model mismatch. Robust reinforcement learning is to learn a policy robust to model mismatch between simulator and real environment. We first develop the robust policy (sub-)gradient, which is applicable for any differentiable parametric policy class. We show that the proposed robust policy gradient method converges to the global optimum asymptotically under direct policy parameterization. We further develop a smoothed robust policy gradient method, and show that to achieve an $\epsilon$-global optimum, the complexity is $\mathcal O(\epsilon^{-3})$. We then extend our methodology to the general model-free setting, and design the robust actor-critic method with differentiable parametric policy class and value function. We further characterize its asymptotic convergence and sample complexity under the tabular setting. Finally, we provide simulation results to demonstrate the robustness of our methods. | Yue Wang, Shaofeng Zou | null | null | 2,022 | icml |
How Powerful are Spectral Graph Neural Networks | null | Spectral Graph Neural Network is a kind of Graph Neural Network (GNN) based on graph signal filters. Some models able to learn arbitrary spectral filters have emerged recently. However, few works analyze the expressive power of spectral GNNs. This paper studies spectral GNNs’ expressive power theoretically. We first prove that even spectral GNNs without nonlinearity can produce arbitrary graph signals and give two conditions for reaching universality. They are: 1) no multiple eigenvalues of graph Laplacian, and 2) no missing frequency components in node features. We also establish a connection between the expressive power of spectral GNNs and Graph Isomorphism (GI) testing, the latter of which is often used to characterize spatial GNNs’ expressive power. Moreover, we study the difference in empirical performance among different spectral GNNs with the same expressive power from an optimization perspective, and motivate the use of an orthogonal basis whose weight function corresponds to the graph signal density in the spectrum. Inspired by the analysis, we propose JacobiConv, which uses Jacobi basis due to its orthogonality and flexibility to adapt to a wide range of weight functions. JacobiConv deserts nonlinearity while outperforming all baselines on both synthetic and real-world datasets. | Xiyuan Wang, Muhan Zhang | null | null | 2,022 | icml |
Partial and Asymmetric Contrastive Learning for Out-of-Distribution Detection in Long-Tailed Recognition | null | Existing out-of-distribution (OOD) detection methods are typically benchmarked on training sets with balanced class distributions. However, in real-world applications, it is common for the training sets to have long-tailed distributions. In this work, we first demonstrate that existing OOD detection methods commonly suffer from significant performance degradation when the training set is long-tail distributed. Through analysis, we posit that this is because the models struggle to distinguish the minority tail-class in-distribution samples, from the true OOD samples, making the tail classes more prone to be falsely detected as OOD. To solve this problem, we propose Partial and Asymmetric Supervised Contrastive Learning (PASCL), which explicitly encourages the model to distinguish between tail-class in-distribution samples and OOD samples. To further boost in-distribution classification accuracy, we propose Auxiliary Branch Finetuning, which uses two separate branches of BN and classification layers for anomaly detection and in-distribution classification, respectively. The intuition is that in-distribution and OOD anomaly data have different underlying distributions. Our method outperforms previous state-of-the-art method by $1.29%$, $1.45%$, $0.69%$ anomaly detection false positive rate (FPR) and $3.24%$, $4.06%$, $7.89%$ in-distribution classification accuracy on CIFAR10-LT, CIFAR100-LT, and ImageNet-LT, respectively. Code and pre-trained models are available at https://github.com/amazon-research/long-tailed-ood-detection. | Haotao Wang, Aston Zhang, Yi Zhu, Shuai Zheng, Mu Li, Alex J Smola, Zhangyang Wang | null | null | 2,022 | icml |
Thompson Sampling for (Combinatorial) Pure Exploration | null | Existing methods of combinatorial pure exploration mainly focus on the UCB approach. To make the algorithm efficient, they usually use the sum of upper confidence bounds within arm set $S$ to represent the upper confidence bound of $S$, which can be much larger than the tight upper confidence bound of $S$ and leads to a much higher complexity than necessary, since the empirical means of different arms in $S$ are independent. To deal with this challenge, we explore the idea of Thompson Sampling (TS) that uses independent random samples instead of the upper confidence bounds, and design the first TS-based algorithm TS-Explore for (combinatorial) pure exploration. In TS-Explore, the sum of independent random samples within arm set $S$ will not exceed the tight upper confidence bound of $S$ with high probability. Hence it solves the above challenge, and achieves a lower complexity upper bound than existing efficient UCB-based algorithms in general combinatorial pure exploration. As for pure exploration of classic multi-armed bandit, we show that TS-Explore achieves an asymptotically optimal complexity upper bound. | Siwei Wang, Jun Zhu | null | null | 2,022 | icml |
Removing Batch Normalization Boosts Adversarial Training | null | Adversarial training (AT) defends deep neural networks against adversarial attacks. One challenge that limits its practical application is the performance degradation on clean samples. A major bottleneck identified by previous works is the widely used batch normalization (BN), which struggles to model the different statistics of clean and adversarial training samples in AT. Although the dominant approach is to extend BN to capture this mixture of distribution, we propose to completely eliminate this bottleneck by removing all BN layers in AT. Our normalizer-free robust training (NoFrost) method extends recent advances in normalizer-free networks to AT for its unexplored advantage on handling the mixture distribution challenge. We show that NoFrost achieves adversarial robustness with only a minor sacrifice on clean sample accuracy. On ImageNet with ResNet50, NoFrost achieves $74.06%$ clean accuracy, which drops merely $2.00%$ from standard training. In contrast, BN-based AT obtains $59.28%$ clean accuracy, suffering a significant $16.78%$ drop from standard training. In addition, NoFrost achieves a $23.56%$ adversarial robustness against PGD attack, which improves the $13.57%$ robustness in BN-based AT. We observe better model smoothness and larger decision margins from NoFrost, which make the models less sensitive to input perturbations and thus more robust. Moreover, when incorporating more data augmentations into NoFrost, it achieves comprehensive robustness against multiple distribution shifts. Code and pre-trained models are public at https://github.com/amazon-research/normalizer-free-robust-training. | Haotao Wang, Aston Zhang, Shuai Zheng, Xingjian Shi, Mu Li, Zhangyang Wang | null | null | 2,022 | icml |
Finite-Sum Coupled Compositional Stochastic Optimization: Theory and Applications | null | This paper studies stochastic optimization for a sum of compositional functions, where the inner-level function of each summand is coupled with the corresponding summation index. We refer to this family of problems as finite-sum coupled compositional optimization (FCCO). It has broad applications in machine learning for optimizing non-convex or convex compositional measures/objectives such as average precision (AP), p-norm push, listwise ranking losses, neighborhood component analysis (NCA), deep survival analysis, deep latent variable models, etc., which deserves finer analysis. Yet, existing algorithms and analyses are restricted in one or other aspects. The contribution of this paper is to provide a comprehensive convergence analysis of a simple stochastic algorithm for both non-convex and convex objectives. Our key result is the improved oracle complexity with the parallel speed-up by using the moving-average based estimator with mini-batching. Our theoretical analysis also exhibits new insights for improving the practical implementation by sampling the batches of equal size for the outer and inner levels. Numerical experiments on AP maximization, NCA, and p-norm push corroborate some aspects of the theory. | Bokun Wang, Tianbao Yang | null | null | 2,022 | icml |
More Than a Toy: Random Matrix Models Predict How Real-World Neural Representations Generalize | null | Of theories for why large-scale machine learning models generalize despite being vastly overparameterized, which of their assumptions are needed to capture the qualitative phenomena of generalization in the real world? On one hand, we find that most theoretical analyses fall short of capturing these qualitative phenomena even for kernel regression, when applied to kernels derived from large-scale neural networks (e.g., ResNet-50) and real data (e.g., CIFAR-100). On the other hand, we find that the classical GCV estimator (Craven and Wahba, 1978) accurately predicts generalization risk even in such overparameterized settings. To bolster this empirical finding, we prove that the GCV estimator converges to the generalization risk whenever a local random matrix law holds. Finally, we apply this random matrix theory lens to explain why pretrained representations generalize better as well as what factors govern scaling laws for kernel regression. Our findings suggest that random matrix theory, rather than just being a toy model, may be central to understanding the properties of neural representations in practice. | Alexander Wei, Wei Hu, Jacob Steinhardt | null | null | 2,022 | icml |
Random Forest Density Estimation | null | We propose a density estimation algorithm called random forest density estimation (RFDE) based on random trees where the split of cell is along the midpoint of the randomly chosen dimension. By combining the efficient random tree density estimation (RTDE) and the ensemble procedure, RFDE can alleviate the problems of boundary discontinuity suffered by partition-based density estimations. From the theoretical perspective, we first prove the fast convergence rates of RFDE if the density function lies in the Hölder space $C^{0,\alpha}$. Moreover, if the target function resides in the subspace $C^{1,\alpha}$, which contains smoother density functions, we for the first time manage to explain the benefits of the ensemble learning in density estimation. To be specific, we show that the upper bound of the ensemble estimator RFDE turns out to be strictly smaller than the lower bound of its base estimator RTDE in terms of convergence rates. In the experiments, we verify the theoretical results and show the promising performance of RFDE on both synthetic and real world datasets. Moreover, we evaluate our RFDE through the problem of anomaly detection as a possible application. | Hongwei Wen, Hanyuan Hang | null | null | 2,022 | icml |
COLA: Consistent Learning with Opponent-Learning Awareness | null | Learning in general-sum games is unstable and frequently leads to socially undesirable (Pareto-dominated) outcomes. To mitigate this, Learning with Opponent-Learning Awareness (LOLA) introduced opponent shaping to this setting, by accounting for each agent’s influence on their opponents’ anticipated learning steps. However, the original LOLA formulation (and follow-up work) is inconsistent because LOLA models other agents as naive learners rather than LOLA agents. In previous work, this inconsistency was suggested as a cause of LOLA’s failure to preserve stable fixed points (SFPs). First, we formalize consistency and show that higher-order LOLA (HOLA) solves LOLA’s inconsistency problem if it converges. Second, we correct a claim made in the literature by Sch{ä}fer and Anandkumar (2019), proving that Competitive Gradient Descent (CGD) does not recover HOLA as a series expansion (and fails to solve the consistency problem). Third, we propose a new method called Consistent LOLA (COLA), which learns update functions that are consistent under mutual opponent shaping. It requires no more than second-order derivatives and learns consistent update functions even when HOLA fails to converge. However, we also prove that even consistent update functions do not preserve SFPs, contradicting the hypothesis that this shortcoming is caused by LOLA’s inconsistency. Finally, in an empirical evaluation on a set of general-sum games, we find that COLA finds prosocial solutions and that it converges under a wider range of learning rates than HOLA and LOLA. We support the latter finding with a theoretical result for a simple game. | Timon Willi, Alistair Hp Letcher, Johannes Treutlein, Jakob Foerster | null | null | 2,022 | icml |
Open-Sampling: Exploring Out-of-Distribution data for Re-balancing Long-tailed datasets | null | Deep neural networks usually perform poorly when the training dataset suffers from extreme class imbalance. Recent studies found that directly training with out-of-distribution data (i.e., open-set samples) in a semi-supervised manner would harm the generalization performance. In this work, we theoretically show that out-of-distribution data can still be leveraged to augment the minority classes from a Bayesian perspective. Based on this motivation, we propose a novel method called Open-sampling, which utilizes open-set noisy labels to re-balance the class priors of the training dataset. For each open-set instance, the label is sampled from our pre-defined distribution that is complementary to the distribution of original class priors. We empirically show that Open-sampling not only re-balances the class priors but also encourages the neural network to learn separable representations. Extensive experiments demonstrate that our proposed method significantly outperforms existing data re-balancing methods and can boost the performance of existing state-of-the-art methods. | Hongxin Wei, Lue Tao, Renchunzi Xie, Lei Feng, Bo An | null | null | 2,022 | icml |
Distributional Hamilton-Jacobi-Bellman Equations for Continuous-Time Reinforcement Learning | null | Continuous-time reinforcement learning offers an appealing formalism for describing control problems in which the passage of time is not naturally divided into discrete increments. Here we consider the problem of predicting the distribution of returns obtained by an agent interacting in a continuous-time, stochastic environment. Accurate return predictions have proven useful for determining optimal policies for risk-sensitive control, learning state representations, multiagent coordination, and more. We begin by establishing the distributional analogue of the Hamilton-Jacobi-Bellman (HJB) equation for Ito diffusions and the broader class of Feller-Dynkin processes. We then specialize this equation to the setting in which the return distribution is approximated by N uniformly-weighted particles, a common design choice in distributional algorithms. Our derivation highlights additional terms due to statistical diffusivity which arise from the proper handling of distributions in the continuous-time setting. Based on this, we propose a tractable algorithm for approximately solving the distributional HJB based on a JKO scheme, which can be implemented in an online, control algorithm. We demonstrate the effectiveness of such an algorithm in a synthetic control problem. | Harley E Wiltzer, David Meger, Marc G. Bellemare | null | null | 2,022 | icml |
Easy Variational Inference for Categorical Models via an Independent Binary Approximation | null | We pursue tractable Bayesian analysis of generalized linear models (GLMs) for categorical data. GLMs have been difficult to scale to more than a few dozen categories due to non-conjugacy or strong posterior dependencies when using conjugate auxiliary variable methods. We define a new class of GLMs for categorical data called categorical-from-binary (CB) models. Each CB model has a likelihood that is bounded by the product of binary likelihoods, suggesting a natural posterior approximation. This approximation makes inference straightforward and fast; using well-known auxiliary variables for probit or logistic regression, the product of binary models admits conjugate closed-form variational inference that is embarrassingly parallel across categories and invariant to category ordering. Moreover, an independent binary model simultaneously approximates multiple CB models. Bayesian model averaging over these can improve the quality of the approximation for any given dataset. We show that our approach scales to thousands of categories, outperforming posterior estimation competitors like Automatic Differentiation Variational Inference (ADVI) and No U-Turn Sampling (NUTS) in the time required to achieve fixed prediction quality. | Michael T Wojnowicz, Shuchin Aeron, Eric L Miller, Michael Hughes | null | null | 2,022 | icml |
BabelTower: Learning to Auto-parallelized Program Translation | null | GPUs have become the dominant computing platforms for many applications, while programming GPUs with the widely-used CUDA parallel programming model is difficult. As sequential C code is relatively easy to obtain either from legacy repositories or by manual implementation, automatically translating C to its parallel CUDA counterpart is promising to relieve the burden of GPU programming. However, because of huge differences between the sequential C and the parallel CUDA programming model, existing approaches fail to conduct the challenging auto-parallelized program translation. In this paper, we propose a learning-based framework, i.e., BabelTower, to address this problem. We first create a large-scale dataset consisting of compute-intensive function-level monolingual corpora. We further propose using back-translation with a discriminative reranker to cope with unpaired corpora and parallel semantic conversion. Experimental results show that BabelTower outperforms state-of-the-art by 1.79, 6.09, and 9.39 in terms of BLEU, CodeBLEU, and specifically designed ParaBLEU, respectively. The CUDA code generated by BabelTower attains a speedup of up to 347x over the sequential C code, and the developer productivity is improved by at most 3.8x. | Yuanbo Wen, Qi Guo, Qiang Fu, Xiaqing Li, Jianxing Xu, Yanlin Tang, Yongwei Zhao, Xing Hu, Zidong Du, Ling Li, Chao Wang, Xuehai Zhou, Yunji Chen | null | null | 2,022 | icml |
Certifying Out-of-Domain Generalization for Blackbox Functions | null | Certifying the robustness of model performance under bounded data distribution drifts has recently attracted intensive interest under the umbrella of distributional robustness. However, existing techniques either make strong assumptions on the model class and loss functions that can be certified, such as smoothness expressed via Lipschitz continuity of gradients, or require to solve complex optimization problems. As a result, the wider application of these techniques is currently limited by its scalability and flexibility — these techniques often do not scale to large-scale datasets with modern deep neural networks or cannot handle loss functions which may be non-smooth such as the 0-1 loss. In this paper, we focus on the problem of certifying distributional robustness for blackbox models and bounded loss functions, and propose a novel certification framework based on the Hellinger distance. Our certification technique scales to ImageNet-scale datasets, complex models, and a diverse set of loss functions. We then focus on one specific application enabled by such scalability and flexibility, i.e., certifying out-of-domain generalization for large neural networks and loss functions such as accuracy and AUC. We experimentally validate our certification method on a number of datasets, ranging from ImageNet, where we provide the first non-vacuous certified out-of-domain generalization, to smaller classification tasks where we are able to compare with the state-of-the-art and show that our method performs considerably better. | Maurice G Weber, Linyi Li, Boxin Wang, Zhikuan Zhao, Bo Li, Ce Zhang | null | null | 2,022 | icml |
Measure Estimation in the Barycentric Coding Model | null | This paper considers the problem of measure estimation under the barycentric coding model (BCM), in which an unknown measure is assumed to belong to the set of Wasserstein-2 barycenters of a finite set of known measures. Estimating a measure under this model is equivalent to estimating the unknown barycentric coordinates. We provide novel geometrical, statistical, and computational insights for measure estimation under the BCM, consisting of three main results. Our first main result leverages the Riemannian geometry of Wasserstein-2 space to provide a procedure for recovering the barycentric coordinates as the solution to a quadratic optimization problem assuming access to the true reference measures. The essential geometric insight is that the parameters of this quadratic problem are determined by inner products between the optimal displacement maps from the given measure to the reference measures defining the BCM. Our second main result then establishes an algorithm for solving for the coordinates in the BCM when all the measures are observed empirically via i.i.d. samples. We prove precise rates of convergence for this algorithm—determined by the smoothness of the underlying measures and their dimensionality—thereby guaranteeing its statistical consistency. Finally, we demonstrate the utility of the BCM and associated estimation procedures in three application areas: (i) covariance estimation for Gaussian measures; (ii) image processing; and (iii) natural language processing. | Matthew Werenski, Ruijie Jiang, Abiy Tasissa, Shuchin Aeron, James M Murphy | null | null | 2,022 | icml |
Fighting Fire with Fire: Avoiding DNN Shortcuts through Priming | null | Across applications spanning supervised classification and sequential control, deep learning has been reported to find “shortcut” solutions that fail catastrophically under minor changes in the data distribution. In this paper, we show empirically that DNNs can be coaxed to avoid poor shortcuts by providing an additional “priming” feature computed from key input features, usually a coarse output estimate. Priming relies on approximate domain knowledge of these task-relevant key input features, which is often easy to obtain in practical settings. For example, one might prioritize recent frames over past frames in a video input for visual imitation learning, or salient foreground over background pixels for image classification. On NICO image classification, MuJoCo continuous control, and CARLA autonomous driving, our priming strategy works significantly better than several popular state-of-the-art approaches for feature selection and data augmentation. We connect these empirical findings to recent theoretical results on DNN optimization, and argue theoretically that priming distracts the optimizer away from poor shortcuts by creating better, simpler shortcuts. | Chuan Wen, Jianing Qian, Jierui Lin, Jiaye Teng, Dinesh Jayaraman, Yang Gao | null | null | 2,022 | icml |
Koopman Q-learning: Offline Reinforcement Learning via Symmetries of Dynamics | null | Offline reinforcement learning leverages large datasets to train policies without interactions with the environment. The learned policies may then be deployed in real-world settings where interactions are costly or dangerous. Current algorithms over-fit to the training dataset and as a consequence perform poorly when deployed to out-of-distribution generalizations of the environment. We aim to address these limitations by learning a Koopman latent representation which allows us to infer symmetries of the system’s underlying dynamic. The latter is then utilized to extend the otherwise static offline dataset during training; this constitutes a novel data augmentation framework which reflects the system’s dynamic and is thus to be interpreted as an exploration of the environments phase space. To obtain the symmetries we employ Koopman theory in which nonlinear dynamics are represented in terms of a linear operator acting on the space of measurement functions of the system. We provide novel theoretical results on the existence and nature of symmetries relevant for control systems such as reinforcement learning settings. Moreover, we empirically evaluate our method on several benchmark offline reinforcement learning tasks and datasets including D4RL, Metaworld and Robosuite and find that by using our framework we consistently improve the state-of-the-art of model-free Q-learning methods. | Matthias Weissenbacher, Samarth Sinha, Animesh Garg, Kawahara Yoshinobu | null | null | 2,022 | icml |
Fishing for User Data in Large-Batch Federated Learning via Gradient Magnification | null | Federated learning (FL) has rapidly risen in popularity due to its promise of privacy and efficiency. Previous works have exposed privacy vulnerabilities in the FL pipeline by recovering user data from gradient updates. However, existing attacks fail to address realistic settings because they either 1) require toy settings with very small batch sizes, or 2) require unrealistic and conspicuous architecture modifications. We introduce a new strategy that dramatically elevates existing attacks to operate on batches of arbitrarily large size, and without architectural modifications. Our model-agnostic strategy only requires modifications to the model parameters sent to the user, which is a realistic threat model in many scenarios. We demonstrate the strategy in challenging large-scale settings, obtaining high-fidelity data extraction in both cross-device and cross-silo federated learning. Code is available at https://github.com/JonasGeiping/breaching. | Yuxin Wen, Jonas A. Geiping, Liam Fowl, Micah Goldblum, Tom Goldstein | null | null | 2,022 | icml |
Preconditioning for Scalable Gaussian Process Hyperparameter Optimization | null | Gaussian process hyperparameter optimization requires linear solves with, and log-determinants of, large kernel matrices. Iterative numerical techniques are becoming popular to scale to larger datasets, relying on the conjugate gradient method (CG) for the linear solves and stochastic trace estimation for the log-determinant. This work introduces new algorithmic and theoretical insights for preconditioning these computations. While preconditioning is well understood in the context of CG, we demonstrate that it can also accelerate convergence and reduce variance of the estimates for the log-determinant and its derivative. We prove general probabilistic error bounds for the preconditioned computation of the log-determinant, log-marginal likelihood and its derivatives. Additionally, we derive specific rates for a range of kernel-preconditioner combinations, showing that up to exponential convergence can be achieved. Our theoretical results enable provably efficient optimization of kernel hyperparameters, which we validate empirically on large-scale benchmark problems. There our approach accelerates training by up to an order of magnitude. | Jonathan Wenger, Geoff Pleiss, Philipp Hennig, John Cunningham, Jacob Gardner | null | null | 2,022 | icml |
Mitigating Neural Network Overconfidence with Logit Normalization | null | Detecting out-of-distribution inputs is critical for the safe deployment of machine learning models in the real world. However, neural networks are known to suffer from the overconfidence issue, where they produce abnormally high confidence for both in- and out-of-distribution inputs. In this work, we show that this issue can be mitigated through Logit Normalization (LogitNorm)—a simple fix to the cross-entropy loss—by enforcing a constant vector norm on the logits in training. Our method is motivated by the analysis that the norm of the logit keeps increasing during training, leading to overconfident output. Our key idea behind LogitNorm is thus to decouple the influence of output’s norm during network optimization. Trained with LogitNorm, neural networks produce highly distinguishable confidence scores between in- and out-of-distribution data. Extensive experiments demonstrate the superiority of LogitNorm, reducing the average FPR95 by up to 42.30% on common benchmarks. | Hongxin Wei, Renchunzi Xie, Hao Cheng, Lei Feng, Bo An, Yixuan Li | null | null | 2,022 | icml |
Continual Learning with Guarantees via Weight Interval Constraints | null | We introduce a new training paradigm that enforces interval constraints on neural network parameter space to control forgetting. Contemporary Continual Learning (CL) methods focus on training neural networks efficiently from a stream of data, while reducing the negative impact of catastrophic forgetting, yet they do not provide any firm guarantees that network performance will not deteriorate uncontrollably over time. In this work, we show how to put bounds on forgetting by reformulating continual learning of a model as a continual contraction of its parameter space. To that end, we propose Hyperrectangle Training, a new training methodology where each task is represented by a hyperrectangle in the parameter space, fully contained in the hyperrectangles of the previous tasks. This formulation reduces the NP-hard CL problem back to polynomial time while providing full resilience against forgetting. We validate our claim by developing InterContiNet (Interval Continual Learning) algorithm which leverages interval arithmetic to effectively model parameter regions as hyperrectangles. Through experimental results, we show that our approach performs well in a continual learning setup without storing data from previous tasks. | Maciej Wołczyk, Karol Piczak, Bartosz Wójcik, Lukasz Pustelnik, Paweł Morawiecki, Jacek Tabor, Tomasz Trzcinski, Przemysław Spurek | null | null | 2,022 | icml |
Generative Coarse-Graining of Molecular Conformations | null | Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and therefore drastically accelerates simulation. However, such CG procedure induces information losses, which makes accurate backmapping, i.e., restoring fine-grained (FG) coordinates from CG coordinates, a long-standing challenge. Inspired by the recent progress in generative models and equivariant networks, we propose a novel model that rigorously embeds the vital probabilistic nature and geometrical consistency requirements of the backmapping transformation. Our model encodes the FG uncertainties into an invariant latent space and decodes them back to FG geometries via equivariant convolutions. To standardize the evaluation of this domain, we further provide three comprehensive benchmarks based on molecular dynamics trajectories. Extensive experiments show that our approach always recovers more realistic structures and outperforms existing data-driven methods with a significant margin. | Wujie Wang, Minkai Xu, Chen Cai, Benjamin K Miller, Tess Smidt, Yusu Wang, Jian Tang, Rafael Gomez-Bombarelli | null | null | 2,022 | icml |
Self-supervised Models are Good Teaching Assistants for Vision Transformers | null | Transformers have shown remarkable progress on computer vision tasks in the past year. Compared to their CNN counterparts, transformers usually need the help of distillation to achieve comparable results on middle or small sized datasets. Meanwhile, recent researches discover that when transformers are trained with supervised and self-supervised manner respectively, the captured patterns are quite different both qualitatively and quantitatively. These findings motivate us to introduce an self-supervised teaching assistant (SSTA) besides the commonly used supervised teacher to improve the performance of transformers. Specifically, we propose a head-level knowledge distillation method that selects the most important head of the supervised teacher and self-supervised teaching assistant, and let the student mimic the attention distribution of these two heads, so as to make the student focus on the relationship between tokens deemed by the teacher and the teacher assistant. Extensive experiments verify the effectiveness of SSTA and demonstrate that the proposed SSTA is a good compensation to the supervised teacher. Meanwhile, some analytical experiments towards multiple perspectives (e.g. prediction, shape bias, robustness, and transferability to downstream tasks) with supervised teachers, self-supervised teaching assistants and students are inductive and may inspire future researches. | Haiyan Wu, Yuting Gao, Yinqi Zhang, Shaohui Lin, Yuan Xie, Xing Sun, Ke Li | null | null | 2,022 | icml |
Leverage Score Sampling for Tensor Product Matrices in Input Sparsity Time | null | We propose an input sparsity time sampling algorithm that can spectrally approximate the Gram matrix corresponding to the q-fold column-wise tensor product of q matrices using a nearly optimal number of samples, improving upon all previously known methods by poly(q) factors. Furthermore, for the important special case of the q-fold self-tensoring of a dataset, which is the feature matrix of the degree-q polynomial kernel, the leading term of our method’s runtime is proportional to the size of the dataset and has no dependence on q. Previous techniques either incur a poly(q) factor slowdown in their runtime or remove the dependence on q at the expense of having sub-optimal target dimension, and depend quadratically on the number of data-points in their runtime. Our sampling technique relies on a collection of q partially correlated random projections which can be simultaneously applied to a dataset X in total time that only depends on the size of X, and at the same time their q-fold Kronecker product acts as a near-isometry for any fixed vector in the column span of $X^{\otimes q}$. We also show that our sampling methods generalize to other classes of kernels beyond polynomial, such as Gaussian and Neural Tangent kernels. | David Woodruff, Amir Zandieh | null | null | 2,022 | icml |
MemSR: Training Memory-efficient Lightweight Model for Image Super-Resolution | null | Methods based on deep neural networks with a massive number of layers and skip-connections have made impressive improvements on single image super-resolution (SISR). The skip-connections in these complex models boost the performance at the cost of a large amount of memory. With the increase of camera resolution from 1 million pixels to 100 million pixels on mobile phones, the memory footprint of these algorithms also increases hundreds of times, which restricts the applicability of these models on memory-limited devices. A plain model consisting of a stack of 3{\texttimes}3 convolutions with ReLU, in contrast, has the highest memory efficiency but poorly performs on super-resolution. This paper aims at calculating a winning initialization from a complex teacher network for a plain student network, which can provide performance comparable to complex models. To this end, we convert the teacher model to an equivalent large plain model and derive the plain student’s initialization. We further improve the student’s performance through initialization-aware feature distillation. Extensive experiments suggest that the proposed method results in a model with a competitive trade-off between accuracy and speed at a much lower memory footprint than other state-of-the-art lightweight approaches. | Kailu Wu, Chung-Kuei Lee, Kaisheng Ma | null | null | 2,022 | icml |
A Deep Learning Approach for the Segmentation of Electroencephalography Data in Eye Tracking Applications | null | The collection of eye gaze information provides a window into many critical aspects of human cognition, health and behaviour. Additionally, many neuroscientific studies complement the behavioural information gained from eye tracking with the high temporal resolution and neurophysiological markers provided by electroencephalography (EEG). One of the essential eye-tracking software processing steps is the segmentation of the continuous data stream into events relevant to eye-tracking applications, such as saccades, fixations, and blinks. Here, we introduce DETRtime, a novel framework for time-series segmentation that creates ocular event detectors that do not require additionally recorded eye-tracking modality and rely solely on EEG data. Our end-to-end deep-learning-based framework brings recent advances in Computer Vision to the forefront of the times series segmentation of EEG data. DETRtime achieves state-of-the-art performance in ocular event detection across diverse eye-tracking experiment paradigms. In addition to that, we provide evidence that our model generalizes well in the task of EEG sleep stage segmentation. | Lukas Wolf, Ard Kastrati, Martyna B Plomecka, Jie-Ming Li, Dustin Klebe, Alexander Veicht, Roger Wattenhofer, Nicolas Langer | null | null | 2,022 | icml |
Understanding Policy Gradient Algorithms: A Sensitivity-Based Approach | null | The REINFORCE algorithm \cite{williams1992simple} is popular in policy gradient (PG) for solving reinforcement learning (RL) problems. Meanwhile, the theoretical form of PG is from \cite{sutton1999policy}. Although both formulae prescribe PG, their precise connections are not yet illustrated. Recently, \citeauthor{nota2020policy} (\citeyear{nota2020policy}) have found that the ambiguity causes implementation errors. Motivated by the ambiguity and implementation incorrectness, we study PG from a perturbation perspective. In particular, we derive PG in a unified framework, precisely clarify the relation between PG implementation and theory, and echos back the findings by \citeauthor{nota2020policy}. Diving into factors contributing to empirical successes of the existing erroneous implementations, we find that small approximation error and the experience replay mechanism play critical roles. | Shuang Wu, Ling Shi, Jun Wang, Guangjian Tian | null | null | 2,022 | icml |
DAVINZ: Data Valuation using Deep Neural Networks at Initialization | null | Recent years have witnessed a surge of interest in developing trustworthy methods to evaluate the value of data in many real-world applications (e.g., collaborative machine learning, data marketplaces). Existing data valuation methods typically valuate data using the generalization performance of converged machine learning models after their long-term model training, hence making data valuation on large complex deep neural networks (DNNs) unaffordable. To this end, we theoretically derive a domain-aware generalization bound to estimate the generalization performance of DNNs without model training. We then exploit this theoretically derived generalization bound to develop a novel training-free data valuation method named data valuation at initialization (DAVINZ) on DNNs, which consistently achieves remarkable effectiveness and efficiency in practice. Moreover, our training-free DAVINZ, surprisingly, can even theoretically and empirically enjoy the desirable properties that training-based data valuation methods usually attain, thus making it more trustworthy in practice. | Zhaoxuan Wu, Yao Shu, Bryan Kian Hsiang Low | null | null | 2,022 | icml |
Structural Entropy Guided Graph Hierarchical Pooling | null | Following the success of convolution on non-Euclidean space, the corresponding pooling approaches have also been validated on various tasks regarding graphs. However, because of the fixed compression ratio and stepwise pooling design, these hierarchical pooling methods still suffer from local structure damage and suboptimal problem. In this work, inspired by structural entropy, we propose a hierarchical pooling approach, SEP, to tackle the two issues. Specifically, without assigning the layer-specific compression ratio, a global optimization algorithm is designed to generate the cluster assignment matrices for pooling at once. Then, we present an illustration of the local structure damage from previous methods in reconstruction of ring and grid synthetic graphs. In addition to SEP, we further design two classification models, SEP-G and SEP-N for graph classification and node classification, respectively. The results show that SEP outperforms state-of-the-art graph pooling methods on graph classification benchmarks and obtains superior performance on node classifications. | Junran Wu, Xueyuan Chen, Ke Xu, Shangzhe Li | null | null | 2,022 | icml |
Robust Deep Reinforcement Learning through Bootstrapped Opportunistic Curriculum | null | Despite considerable advances in deep reinforcement learning, it has been shown to be highly vulnerable to adversarial perturbations to state observations. Recent efforts that have attempted to improve adversarial robustness of reinforcement learning can nevertheless tolerate only very small perturbations, and remain fragile as perturbation size increases. We propose Bootstrapped Opportunistic Adversarial Curriculum Learning (BCL), a novel flexible adversarial curriculum learning framework for robust reinforcement learning. Our framework combines two ideas: conservatively bootstrapping each curriculum phase with highest quality solutions obtained from multiple runs of the previous phase, and opportunistically skipping forward in the curriculum. In our experiments we show that the proposed BCL framework enables dramatic improvements in robustness of learned policies to adversarial perturbations. The greatest improvement is for Pong, where our framework yields robustness to perturbations of up to 25/255; in contrast, the best existing approach can only tolerate adversarial noise up to 5/255. Our code is available at: https://github.com/jlwu002/BCL. | Junlin Wu, Yevgeniy Vorobeychik | null | null | 2,022 | icml |
Model soups: averaging weights of multiple fine-tuned models improves accuracy without increasing inference time | null | The conventional recipe for maximizing model accuracy is to (1) train multiple models with various hyperparameters and (2) pick the individual model which performs best on a held-out validation set, discarding the remainder. In this paper, we revisit the second step of this procedure in the context of fine-tuning large pre-trained models, where fine-tuned models often appear to lie in a single low error basin. We show that averaging the weights of multiple models fine-tuned with different hyperparameter configurations often improves accuracy and robustness. Unlike a conventional ensemble, we may average many models without incurring any additional inference or memory costs—we call the results “model soups.” When fine-tuning large pre-trained models such as CLIP, ALIGN, and a ViT-G pre-trained on JFT, our soup recipe provides significant improvements over the best model in a hyperparameter sweep on ImageNet. The resulting ViT-G model, which attains 90.94% top-1 accuracy on ImageNet, achieved a new state of the art. Furthermore, we show that the model soup approach extends to multiple image classification and natural language processing tasks, improves out-of-distribution performance, and improves zero-shot performance on new downstream tasks. Finally, we analytically relate the performance similarity of weight-averaging and logit-ensembling to flatness of the loss and confidence of the predictions, and validate this relation empirically. Code is available at https://github.com/mlfoundations/model-soups. | Mitchell Wortsman, Gabriel Ilharco, Samir Ya Gadre, Rebecca Roelofs, Raphael Gontijo-Lopes, Ari S Morcos, Hongseok Namkoong, Ali Farhadi, Yair Carmon, Simon Kornblith, Ludwig Schmidt | null | null | 2,022 | icml |
Revisiting Consistency Regularization for Deep Partial Label Learning | null | Partial label learning (PLL), which refers to the classification task where each training instance is ambiguously annotated with a set of candidate labels, has been recently studied in deep learning paradigm. Despite advances in recent deep PLL literature, existing methods (e.g., methods based on self-training or contrastive learning) are confronted with either ineffectiveness or inefficiency. In this paper, we revisit a simple idea namely consistency regularization, which has been shown effective in traditional PLL literature, to guide the training of deep models. Towards this goal, a new regularized training framework, which performs supervised learning on non-candidate labels and employs consistency regularization on candidate labels, is proposed for PLL. We instantiate the regularization term by matching the outputs of multiple augmentations of an instance to a conformal label distribution, which can be adaptively inferred by the closed-form solution. Experiments on benchmark datasets demonstrate the superiority of the proposed method compared with other state-of-the-art methods. | Dong-Dong Wu, Deng-Bao Wang, Min-Ling Zhang | null | null | 2,022 | icml |
Variational nearest neighbor Gaussian process | null | Variational approximations to Gaussian processes (GPs) typically use a small set of inducing points to form a low-rank approximation to the covariance matrix. In this work, we instead exploit a sparse approximation of the precision matrix. We propose variational nearest neighbor Gaussian process (VNNGP), which introduces a prior that only retains correlations within $K$ nearest-neighboring observations, thereby inducing sparse precision structure. Using the variational framework, VNNGP’s objective can be factorized over both observations and inducing points, enabling stochastic optimization with a time complexity of $O(K^3)$. Hence, we can arbitrarily scale the inducing point size, even to the point of putting inducing points at every observed location. We compare VNNGP to other scalable GPs through various experiments, and demonstrate that VNNGP (1) can dramatically outperform low-rank methods, and (2) is less prone to overfitting than other nearest neighbor methods. | Luhuan Wu, Geoff Pleiss, John P Cunningham | null | null | 2,022 | icml |
Metric-Fair Classifier Derandomization | null | We study the problem of classifier derandomization in machine learning: given a stochastic binary classifier $f: X \to [0,1]$, sample a deterministic classifier $\hat{f}: X \to \{0,1\}$ that approximates the output of $f$ in aggregate over any data distribution. Recent work revealed how to efficiently derandomize a stochastic classifier with strong output approximation guarantees, but at the cost of individual fairness — that is, if $f$ treated similar inputs similarly, $\hat{f}$ did not. In this paper, we initiate a systematic study of classifier derandomization with metric fairness guarantees. We show that the prior derandomization approach is almost maximally metric-unfair, and that a simple “random threshold” derandomization achieves optimal fairness preservation but with weaker output approximation. We then devise a derandomization procedure that provides an appealing tradeoff between these two: if $f$ is $\alpha$-metric fair according to a metric $d$ with a locality-sensitive hash (LSH) family, then our derandomized $\hat{f}$ is, with high probability, $O(\alpha)$-metric fair and a close approximation of $f$. We also prove generic results applicable to all (fair and unfair) classifier derandomization procedures, including a bias-variance decomposition and reductions between various notions of metric fairness. | Jimmy Wu, Yatong Chen, Yang Liu | null | null | 2,022 | icml |
Characterizing and Overcoming the Greedy Nature of Learning in Multi-modal Deep Neural Networks | null | We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models’ generalization, as we observe empirically. To estimate the model’s dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model’s generalization on three datasets: Colored MNIST, ModelNet40, and NVIDIA Dynamic Hand Gesture. | Nan Wu, Stanislaw Jastrzebski, Kyunghyun Cho, Krzysztof J Geras | null | null | 2,022 | icml |
Instrumental Variable Regression with Confounder Balancing | null | This paper considers the challenge of estimating treatment effects from observational data in the presence of unmeasured confounders. A popular way to address this challenge is to utilize an instrumental variable (IV) for two-stage regression, i.e., 2SLS and variants, but limited to the linear setting. Recently, many nonlinear IV regression variants were proposed to overcome it by regressing the treatment with IVs and observed confounders in stage 1, leading to the imbalance of the observed confounders in stage 2. In this paper, we propose a Confounder Balanced IV Regression (CB-IV) algorithm to jointly remove the bias from the unmeasured confounders and balance the observed confounders. To the best of our knowledge, this is the first work to combine confounder balancing in IV regression for treatment effect estimation. Theoretically, we re-define and solve the inverse problems for the response-outcome function. Experiments show that our algorithm outperforms the existing approaches. | Anpeng Wu, Kun Kuang, Bo Li, Fei Wu | null | null | 2,022 | icml |
Robust Policy Learning over Multiple Uncertainty Sets | null | Reinforcement learning (RL) agents need to be robust to variations in safety-critical environments. While system identification methods provide a way to infer the variation from online experience, they can fail in settings where fast identification is not possible. Another dominant approach is robust RL which produces a policy that can handle worst-case scenarios, but these methods are generally designed to achieve robustness to a single uncertainty set that must be specified at train time. Towards a more general solution, we formulate the multi-set robustness problem to learn a policy robust to different perturbation sets. We then design an algorithm that enjoys the benefits of both system identification and robust RL: it reduces uncertainty where possible given a few interactions, but can still act robustly with respect to the remaining uncertainty. On a diverse set of control tasks, our approach demonstrates improved worst-case performance on new environments compared to prior methods based on system identification and on robust RL alone. | Annie Xie, Shagun Sodhani, Chelsea Finn, Joelle Pineau, Amy Zhang | null | null | 2,022 | icml |
Delay-Adaptive Step-sizes for Asynchronous Learning | null | In scalable machine learning systems, model training is often parallelized over multiple nodes that run without tight synchronization. Most analysis results for the related asynchronous algorithms use an upper bound on the information delays in the system to determine learning rates. Not only are such bounds hard to obtain in advance, but they also result in unnecessarily slow convergence. In this paper, we show that it is possible to use learning rates that depend on the actual time-varying delays in the system. We develop general convergence results for delay-adaptive asynchronous iterations and specialize these to proximal incremental gradient descent and block coordinate descent algorithms. For each of these methods, we demonstrate how delays can be measured on-line, present delay-adaptive step-size policies, and illustrate their theoretical and practical advantages over the state-of-the-art. | Xuyang Wu, Sindri Magnusson, Hamid Reza Feyzmahdavian, Mikael Johansson | null | null | 2,022 | icml |
Identification of Linear Non-Gaussian Latent Hierarchical Structure | null | Traditional causal discovery methods mainly focus on estimating causal relations among measured variables, but in many real-world problems, such as questionnaire-based psychometric studies, measured variables are generated by latent variables that are causally related. Accordingly, this paper investigates the problem of discovering the hidden causal variables and estimating the causal structure, including both the causal relations among latent variables and those between latent and measured variables. We relax the frequently-used measurement assumption and allow the children of latent variables to be latent as well, and hence deal with a specific type of latent hierarchical causal structure. In particular, we define a minimal latent hierarchical structure and show that for linear non-Gaussian models with the minimal latent hierarchical structure, the whole structure is identifiable from only the measured variables. Moreover, we develop a principled method to identify the structure by testing for Generalized Independent Noise (GIN) conditions in specific ways. Experimental results on both synthetic and real-world data show the effectiveness of the proposed approach. | Feng Xie, Biwei Huang, Zhengming Chen, Yangbo He, Zhi Geng, Kun Zhang | null | null | 2,022 | icml |
Last Iterate Risk Bounds of SGD with Decaying Stepsize for Overparameterized Linear Regression | null | Stochastic gradient descent (SGD) has been shown to generalize well in many deep learning applications. In practice, one often runs SGD with a geometrically decaying stepsize, i.e., a constant initial stepsize followed by multiple geometric stepsize decay, and uses the last iterate as the output. This kind of SGD is known to be nearly minimax optimal for classical finite-dimensional linear regression problems (Ge et al., 2019). However, a sharp analysis for the last iterate of SGD in the overparameterized setting is still open. In this paper, we provide a problem-dependent analysis on the last iterate risk bounds of SGD with decaying stepsize, for (overparameterized) linear regression problems. In particular, for last iterate SGD with (tail) geometrically decaying stepsize, we prove nearly matching upper and lower bounds on the excess risk. Moreover, we provide an excess risk lower bound for last iterate SGD with polynomially decaying stepsize and demonstrate the advantage of geometrically decaying stepsize in an instance-wise manner, which complements the minimax rate comparison made in prior work. | Jingfeng Wu, Difan Zou, Vladimir Braverman, Quanquan Gu, Sham Kakade | null | null | 2,022 | icml |
Synergy and Symmetry in Deep Learning: Interactions between the Data, Model, and Inference Algorithm | null | Although learning in high dimensions is commonly believed to suffer from the curse of dimensionality, modern machine learning methods often exhibit an astonishing power to tackle a wide range of challenging real-world learning problems without using abundant amounts of data. How exactly these methods break this curse remains a fundamental open question in the theory of deep learning. While previous efforts have investigated this question by studying the data ($\mathcal D$), model ($\mathcal M$), and inference algorithm ($\mathcal I$) as independent modules, in this paper we analyzes the triplet $(\mathcal D, \mathcal M, \mathcal I)$ as an integrated system and identify important synergies that help mitigate the curse of dimensionality. We first study the basic symmetries associated with various learning algorithms ($\mathcal M, \mathcal I$), focusing on four prototypical architectures in deep learning: fully-connected networks, locally-connected networks, and convolutional networks with and without pooling. We find that learning is most efficient when these symmetries are compatible with those of the data distribution and that performance significantly deteriorates when any member of the \dmi triplet is inconsistent or suboptimal. | Lechao Xiao, Jeffrey Pennington | null | null | 2,022 | icml |
Self-Supervised Representation Learning via Latent Graph Prediction | null | Self-supervised learning (SSL) of graph neural networks is emerging as a promising way of leveraging unlabeled data. Currently, most methods are based on contrastive learning adapted from the image domain, which requires view generation and a sufficient number of negative samples. In contrast, existing predictive models do not require negative sampling, but lack theoretical guidance on the design of pretext training tasks. In this work, we propose the LaGraph, a theoretically grounded predictive SSL framework based on latent graph prediction. Learning objectives of LaGraph are derived as self-supervised upper bounds to objectives for predicting unobserved latent graphs. In addition to its improved performance, LaGraph provides explanations for recent successes of predictive models that include invariance-based objectives. We provide theoretical analysis comparing LaGraph to related methods in different domains. Our experimental results demonstrate the superiority of LaGraph in performance and the robustness to decreasing of training sample size on both graph-level and node-level tasks. | Yaochen Xie, Zhao Xu, Shuiwang Ji | null | null | 2,022 | icml |
COAT: Measuring Object Compositionality in Emergent Representations | null | Learning representations that can decompose a multi-object scene into its constituent objects and recompose them flexibly is desirable for object-oriented reasoning and planning. Built upon object masks in the pixel space, existing metrics for objectness can only evaluate generative models with an object-specific “slot” structure. We propose to directly measure compositionality in the representation space as a form of objections, making such evaluations tractable for a wider class of models. Our metric, COAT (Compositional Object Algebra Test), evaluates if a generic representation exhibits certain geometric properties that underpin object compositionality beyond what is already captured by the raw pixel space. Our experiments on the popular CLEVR (Johnson et.al., 2018) domain reveal that existing disentanglement-based generative models are not as compositional as one might expect, suggesting room for further modeling improvements. We hope our work allows for a unified evaluation of object-centric representations, spanning generative as well as discriminative, self-supervised models. | Sirui Xie, Ari S Morcos, Song-Chun Zhu, Ramakrishna Vedantam | null | null | 2,022 | icml |
Adaptive Inertia: Disentangling the Effects of Adaptive Learning Rate and Momentum | null | Adaptive Moment Estimation (Adam), which combines Adaptive Learning Rate and Momentum, would be the most popular stochastic optimizer for accelerating the training of deep neural networks. However, it is empirically known that Adam often generalizes worse than Stochastic Gradient Descent (SGD). The purpose of this paper is to unveil the mystery of this behavior in the diffusion theoretical framework. Specifically, we disentangle the effects of Adaptive Learning Rate and Momentum of the Adam dynamics on saddle-point escaping and flat minima selection. We prove that Adaptive Learning Rate can escape saddle points efficiently, but cannot select flat minima as SGD does. In contrast, Momentum provides a drift effect to help the training process pass through saddle points, and almost does not affect flat minima selection. This partly explains why SGD (with Momentum) generalizes better, while Adam generalizes worse but converges faster. Furthermore, motivated by the analysis, we design a novel adaptive optimization framework named Adaptive Inertia, which uses parameter-wise adaptive inertia to accelerate the training and provably favors flat minima as well as SGD. Our extensive experiments demonstrate that the proposed adaptive inertia method can generalize significantly better than SGD and conventional adaptive gradient methods. | Zeke Xie, Xinrui Wang, Huishuai Zhang, Issei Sato, Masashi Sugiyama | null | null | 2,022 | icml |
RetrievalGuard: Provably Robust 1-Nearest Neighbor Image Retrieval | null | Recent research works have shown that image retrieval models are vulnerable to adversarial attacks, where slightly modified test inputs could lead to problematic retrieval results. In this paper, we aim to design a provably robust image retrieval model which keeps the most important evaluation metric Recall@1 invariant to adversarial perturbation. We propose the first 1-nearest neighbor (NN) image retrieval algorithm, RetrievalGuard, which is provably robust against adversarial perturbations within an $\ell_2$ ball of calculable radius. The challenge is to design a provably robust algorithm that takes into consideration the 1-NN search and the high-dimensional nature of the embedding space. Algorithmically, given a base retrieval model and a query sample, we build a smoothed retrieval model by carefully analyzing the 1-NN search procedure in the high-dimensional embedding space. We show that the smoothed retrieval model has bounded Lipschitz constant and thus the retrieval score is invariant to $\ell_2$ adversarial perturbations. Experiments on on image retrieval tasks validate the robustness of our RetrievalGuard method. | Yihan Wu, Hongyang Zhang, Heng Huang | null | null | 2,022 | icml |
Flowformer: Linearizing Transformers with Conservation Flows | null | Transformers based on the attention mechanism have achieved impressive success in various areas. However, the attention mechanism has a quadratic complexity, significantly impeding Transformers from dealing with numerous tokens and scaling up to bigger models. Previous methods mainly utilize the similarity decomposition and the associativity of matrix multiplication to devise linear-time attention mechanisms. They avoid degeneration of attention to a trivial distribution by reintroducing inductive biases such as the locality, thereby at the expense of model generality and expressiveness. In this paper, we linearize Transformers free from specific inductive biases based on the flow network theory. We cast attention as the information flow aggregated from the sources (values) to the sinks (results) through the learned flow capacities (attentions). Within this framework, we apply the property of flow conservation into attention and propose the Flow-Attention mechanism of linear complexity. By respectively conserving the incoming flow of sinks for source competition and the outgoing flow of sources for sink allocation, Flow-Attention inherently generates informative attentions without using specific inductive biases. Empowered by the Flow-Attention, Flowformer yields strong performance in linear time for wide areas, including long sequence, time series, vision, natural language, and reinforcement learning. The code and settings are available at this repository: https://github.com/thuml/Flowformer. | Haixu Wu, Jialong Wu, Jiehui Xu, Jianmin Wang, Mingsheng Long | null | null | 2,022 | icml |
Efficient Computation of Higher-Order Subgraph Attribution via Message Passing | null | Explaining graph neural networks (GNNs) has become more and more important recently. Higher-order interpretation schemes, such as GNN-LRP (layer-wise relevance propagation for GNN), emerged as powerful tools for unraveling how different features interact thereby contributing to explaining GNNs. GNN-LRP gives a relevance attribution of walks between nodes at each layer, and the subgraph attribution is expressed as a sum over exponentially many such walks. In this work, we demonstrate that such exponential complexity can be avoided. In particular, we propose novel algorithms that enable to attribute subgraphs with GNN-LRP in linear-time (w.r.t. the network depth). Our algorithms are derived via message passing techniques that make use of the distributive property, thereby directly computing quantities for higher-order explanations. We further adapt our efficient algorithms to compute a generalization of subgraph attributions that also takes into account the neighboring graph features. Experimental results show the significant acceleration of the proposed algorithms and demonstrate the high usefulness and scalability of our novel generalized subgraph attribution method. | Ping Xiong, Thomas Schnake, Grégoire Montavon, Klaus-Robert Müller, Shinichi Nakajima | null | null | 2,022 | icml |
Inferring Cause and Effect in the Presence of Heteroscedastic Noise | null | We study the problem of identifying cause and effect over two univariate continuous variables $X$ and $Y$ from a sample of their joint distribution. Our focus lies on the setting when the variance of the noise may be dependent on the cause. We propose to partition the domain of the cause into multiple segments where the noise indeed is dependent. To this end, we minimize a scale-invariant, penalized regression score, finding the optimal partitioning using dynamic programming. We show under which conditions this allows us to identify the causal direction for the linear setting with heteroscedastic noise, for the non-linear setting with homoscedastic noise, as well as empirically confirm that these results generalize to the non-linear and heteroscedastic case. Altogether, the ability to model heteroscedasticity translates into an improved performance in telling cause from effect on a wide range of synthetic and real-world datasets. | Sascha Xu, Osman A Mian, Alexander Marx, Jilles Vreeken | null | null | 2,022 | icml |
Optimal Clustering with Noisy Queries via Multi-Armed Bandit | null | Motivated by many applications, we study clustering with a faulty oracle. In this problem, there are $n$ items belonging to $k$ unknown clusters, and the algorithm is allowed to ask the oracle whether two items belong to the same cluster or not. However, the answer from the oracle is correct only with probability $\frac{1}{2}+\frac{\delta}{2}$. The goal is to recover the hidden clusters with minimum number of noisy queries. Previous works have shown that the problem can be solved with $O(\frac{nk\log n}{\delta^2} + \text{poly}(k,\frac{1}{\delta}, \log n))$ queries, while $\Omega(\frac{nk}{\delta^2})$ queries is known to be necessary. So, for any values of $k$ and $\delta$, there is still a non-trivial gap between upper and lower bounds. In this work, we obtain the first matching upper and lower bounds for a wide range of parameters. In particular, a new polynomial time algorithm with $O(\frac{n(k+\log n)}{\delta^2} + \text{poly}(k,\frac{1}{\delta}, \log n))$ queries is proposed. Moreover, we prove a new lower bound of $\Omega(\frac{n\log n}{\delta^2})$, which, combined with the existing $\Omega(\frac{nk}{\delta^2})$ bound, matches our upper bound up to an additive $\text{poly}(k,\frac{1}{\delta},\log n)$ term. To obtain the new results, our main ingredient is an interesting connection between our problem and multi-armed bandit, which might provide useful insights for other similar problems. | Jinghui Xia, Zengfeng Huang | null | null | 2,022 | icml |
A Self-Play Posterior Sampling Algorithm for Zero-Sum Markov Games | null | Existing studies on provably efficient algorithms for Markov games (MGs) almost exclusively build on the “optimism in the face of uncertainty” (OFU) principle. This work focuses on a distinct approach of posterior sampling, which is celebrated in many bandits and reinforcement learning settings but remains under-explored for MGs. Specifically, for episodic two-player zero-sum MGs, a novel posterior sampling algorithm is developed with general function approximation. Theoretical analysis demonstrates that the posterior sampling algorithm admits a $\sqrt{T}$-regret bound for problems with a low multi-agent decoupling coefficient, which is a new complexity measure for MGs, where $T$ denotes the number of episodes. When specializing to linear MGs, the obtained regret bound matches the state-of-the-art results. To the best of our knowledge, this is the first provably efficient posterior sampling algorithm for MGs with frequentist regret guarantees, which extends the toolbox for MGs and promotes the broad applicability of posterior sampling. | Wei Xiong, Han Zhong, Chengshuai Shi, Cong Shen, Tong Zhang | null | null | 2,022 | icml |
ProGCL: Rethinking Hard Negative Mining in Graph Contrastive Learning | null | Contrastive Learning (CL) has emerged as a dominant technique for unsupervised representation learning which embeds augmented versions of the anchor close to each other (positive samples) and pushes the embeddings of other samples (negatives) apart. As revealed in recent studies, CL can benefit from hard negatives (negatives that are most similar to the anchor). However, we observe limited benefits when we adopt existing hard negative mining techniques of other domains in Graph Contrastive Learning (GCL). We perform both experimental and theoretical analysis on this phenomenon and find it can be attributed to the message passing of Graph Neural Networks (GNNs). Unlike CL in other domains, most hard negatives are potentially false negatives (negatives that share the same class with the anchor) if they are selected merely according to the similarities between anchor and themselves, which will undesirably push away the samples of the same class. To remedy this deficiency, we propose an effective method, dubbed \textbf{ProGCL}, to estimate the probability of a negative being true one, which constitutes a more suitable measure for negatives’ hardness together with similarity. Additionally, we devise two schemes (i.e., \textbf{ProGCL-weight} and \textbf{ProGCL-mix}) to boost the performance of GCL. Extensive experiments demonstrate that ProGCL brings notable and consistent improvements over base GCL methods and yields multiple state-of-the-art results on several unsupervised benchmarks or even exceeds the performance of supervised ones. Also, ProGCL is readily pluggable into various negatives-based GCL methods for performance improvement. We release the code at \textcolor{magenta}\url{https://github.com/junxia97/ProGCL}. | Jun Xia, Lirong Wu, Ge Wang, Jintao Chen, Stan Z. Li | null | null | 2,022 | icml |
Accurate Quantization of Measures via Interacting Particle-based Optimization | null | Approximating a target probability distribution can be cast as an optimization problem where the objective functional measures the dissimilarity to the target. This optimization can be addressed by approximating Wasserstein and related gradient flows. In practice, these are simulated by interacting particle systems, whose stationary states define an empirical measure approximating the target distribution. This approach has been popularized recently to design sampling algorithms, e.g. Stein Variational Gradient Descent, or by minimizing the Maximum Mean or Kernel Stein Discrepancy. However, little is known about quantization properties of these approaches, i.e. how well is the target approximated by a finite number particles. We investigate this question theoretically and numerically. In particular, we prove general upper bounds on the quantization error of MMD and KSD at rates which significantly outperform quantization by i.i.d. samples. We conduct experiments which show that the particle systems at study achieve fast rates in practice, and notably outperform greedy algorithms, such as kernel herding. We compare different gradient flows and highlight their quantization rates. Furthermore we introduce a Normalized Stein Variational Gradient Descent and argue in favor of adaptive kernels, which exhibit faster convergence. Finally we compare the Gaussian and Laplace kernels and argue that the Laplace kernel provides a more robust quantization. | Lantian Xu, Anna Korba, Dejan Slepcev | null | null | 2,022 | icml |
Learning to Separate Voices by Spatial Regions | null | We consider the problem of audio voice separation for binaural applications, such as earphones and hearing aids. While today’s neural networks perform remarkably well (separating 4+ sources with 2 microphones) they assume a known or fixed maximum number of sources, K. Moreover, today’s models are trained in a supervised manner, using training data synthesized from generic sources, environments, and human head shapes. This paper intends to relax both these constraints at the expense of a slight alteration in the problem definition. We observe that, when a received mixture contains too many sources, it is still helpful to separate them by region, i.e., isolating signal mixtures from each conical sector around the user’s head. This requires learning the fine-grained spatial properties of each region, including the signal distortions imposed by a person’s head. We propose a two-stage self-supervised framework in which overheard voices from earphones are pre-processed to extract relatively clean personalized signals, which are then used to train a region-wise separation model. Results show promising performance, underscoring the importance of personalization over a generic supervised approach. (audio samples available at our project website: https://uiuc-earable-computing.github.io/binaural). We believe this result could help real-world applications in selective hearing, noise cancellation, and audio augmented reality. | Alan Xu, Romit Roy Choudhury | null | null | 2,022 | icml |
Prompting Decision Transformer for Few-Shot Policy Generalization | null | Human can leverage prior experience and learn novel tasks from a handful of demonstrations. In contrast to offline meta-reinforcement learning, which aims to achieve quick adaptation through better algorithm design, we investigate the effect of architecture inductive bias on the few-shot learning capability. We propose a Prompt-based Decision Transformer (Prompt-DT), which leverages the sequential modeling ability of the Transformer architecture and the prompt framework to achieve few-shot adaptation in offline RL. We design the trajectory prompt, which contains segments of the few-shot demonstrations, and encodes task-specific information to guide policy generation. Our experiments in five MuJoCo control benchmarks show that Prompt-DT is a strong few-shot learner without any extra finetuning on unseen target tasks. Prompt-DT outperforms its variants and strong meta offline RL baselines by a large margin with a trajectory prompt containing only a few timesteps. Prompt-DT is also robust to prompt length changes and can generalize to out-of-distribution (OOD) environments. Project page: \href{https://mxu34.github.io/PromptDT/}{https://mxu34.github.io/PromptDT/}. | Mengdi Xu, Yikang Shen, Shun Zhang, Yuchen Lu, Ding Zhao, Joshua Tenenbaum, Chuang Gan | null | null | 2,022 | icml |
Unified Fourier-based Kernel and Nonlinearity Design for Equivariant Networks on Homogeneous Spaces | null | We introduce a unified framework for group equivariant networks on homogeneous spaces derived from a Fourier perspective. We consider tensor-valued feature fields, before and after a convolutional layer. We present a unified derivation of kernels via the Fourier domain by leveraging the sparsity of Fourier coefficients of the lifted feature fields. The sparsity emerges when the stabilizer subgroup of the homogeneous space is a compact Lie group. We further introduce a nonlinear activation, via an elementwise nonlinearity on the regular representation after lifting and projecting back to the field through an equivariant convolution. We show that other methods treating features as the Fourier coefficients in the stabilizer subgroup are special cases of our activation. Experiments on $SO(3)$ and $SE(3)$ show state-of-the-art performance in spherical vector field regression, point cloud classification, and molecular completion. | Yinshuang Xu, Jiahui Lei, Edgar Dobriban, Kostas Daniilidis | null | null | 2,022 | icml |
Adversarial Attack and Defense for Non-Parametric Two-Sample Tests | null | Non-parametric two-sample tests (TSTs) that judge whether two sets of samples are drawn from the same distribution, have been widely used in the analysis of critical data. People tend to employ TSTs as trusted basic tools and rarely have any doubt about their reliability. This paper systematically uncovers the failure mode of non-parametric TSTs through adversarial attacks and then proposes corresponding defense strategies. First, we theoretically show that an adversary can upper-bound the distributional shift which guarantees the attack’s invisibility. Furthermore, we theoretically find that the adversary can also degrade the lower bound of a TST’s test power, which enables us to iteratively minimize the test criterion in order to search for adversarial pairs. To enable TST-agnostic attacks, we propose an ensemble attack (EA) framework that jointly minimizes the different types of test criteria. Second, to robustify TSTs, we propose a max-min optimization that iteratively generates adversarial pairs to train the deep kernels. Extensive experiments on both simulated and real-world datasets validate the adversarial vulnerabilities of non-parametric TSTs and the effectiveness of our proposed defense. Source code is available at https://github.com/GodXuxilie/Robust-TST.git. | Xilie Xu, Jingfeng Zhang, Feng Liu, Masashi Sugiyama, Mohan Kankanhalli | null | null | 2,022 | icml |
Adversarially Robust Models may not Transfer Better: Sufficient Conditions for Domain Transferability from the View of Regularization | null | Machine learning (ML) robustness and domain generalization are fundamentally correlated: they essentially concern data distribution shifts under adversarial and natural settings, respectively. On one hand, recent studies show that more robust (adversarially trained) models are more generalizable. On the other hand, there is a lack of theoretical understanding of their fundamental connections. In this paper, we explore the relationship between regularization and domain transferability considering different factors such as norm regularization and data augmentations (DA). We propose a general theoretical framework proving that factors involving the model function class regularization are sufficient conditions for relative domain transferability. Our analysis implies that “robustness" is neither necessary nor sufficient for transferability; rather, regularization is a more fundamental perspective for understanding domain transferability. We then discuss popular DA protocols (including adversarial training) and show when they can be viewed as the function class regularization under certain conditions and therefore improve generalization. We conduct extensive experiments to verify our theoretical findings and show several counterexamples where robustness and generalization are negatively correlated on different datasets. | Xiaojun Xu, Jacky Y Zhang, Evelyn Ma, Hyun Ho Son, Sanmi Koyejo, Bo Li | null | null | 2,022 | icml |
Discriminator-Weighted Offline Imitation Learning from Suboptimal Demonstrations | null | We study the problem of offline Imitation Learning (IL) where an agent aims to learn an optimal expert behavior policy without additional online environment interactions. Instead, the agent is provided with a supplementary offline dataset from suboptimal behaviors. Prior works that address this problem either require that expert data occupies the majority proportion of the offline dataset, or need to learn a reward function and perform offline reinforcement learning (RL) afterwards. In this paper, we aim to address the problem without additional steps of reward learning and offline RL training for the case when demonstrations contain a large proportion of suboptimal data. Built upon behavioral cloning (BC), we introduce an additional discriminator to distinguish expert and non-expert data. We propose a cooperation framework to boost the learning of both tasks, Based on this framework, we design a new IL algorithm, where the outputs of the discriminator serve as the weights of the BC loss. Experimental results show that our proposed algorithm achieves higher returns and faster training speed compared to baseline algorithms. | Haoran Xu, Xianyuan Zhan, Honglei Yin, Huiling Qin | null | null | 2,022 | icml |
Importance Weighted Kernel Bayes’ Rule | null | We study a nonparametric approach to Bayesian computation via feature means, where the expectation of prior features is updated to yield expected posterior features, based on regression from kernel or neural net features of the observations. All quantities involved in the Bayesian update are learned from observed data, making the method entirely model-free. The resulting algorithm is a novel instance of a kernel Bayes’ rule (KBR). Our approach is based on importance weighting, which results in superior numerical stability to the existing approach to KBR, which requires operator inversion. We show the convergence of the estimator using a novel consistency analysis on the importance weighting estimator in the infinity norm. We evaluate our KBR on challenging synthetic benchmarks, including a filtering problem with a state-space model involving high dimensional image observations. The proposed method yields uniformly better empirical performance than the existing KBR, and competitive performance with other competing methods. We evaluate our KBR on challenging synthetic benchmarks, including a filtering problem with a state-space model involving high dimensional image observations. The proposed method yields uniformly better empirical performance than the existing KBR, and competitive performance with other competing methods. | Liyuan Xu, Yutian Chen, Arnaud Doucet, Arthur Gretton | null | null | 2,022 | icml |
Langevin Monte Carlo for Contextual Bandits | null | We study the efficiency of Thompson sampling for contextual bandits. Existing Thompson sampling-based algorithms need to construct a Laplace approximation (i.e., a Gaussian distribution) of the posterior distribution, which is inefficient to sample in high dimensional applications for general covariance matrices. Moreover, the Gaussian approximation may not be a good surrogate for the posterior distribution for general reward generating functions. We propose an efficient posterior sampling algorithm, viz., Langevin Monte Carlo Thompson Sampling (LMC-TS), that uses Markov Chain Monte Carlo (MCMC) methods to directly sample from the posterior distribution in contextual bandits. Our method is computationally efficient since it only needs to perform noisy gradient descent updates without constructing the Laplace approximation of the posterior distribution. We prove that the proposed algorithm achieves the same sublinear regret bound as the best Thompson sampling algorithms for a special case of contextual bandits, viz., linear contextual bandits. We conduct experiments on both synthetic data and real-world datasets on different contextual bandit models, which demonstrates that directly sampling from the posterior is both computationally efficient and competitive in performance. | Pan Xu, Hongkai Zheng, Eric V Mazumdar, Kamyar Azizzadenesheli, Animashree Anandkumar | null | null | 2,022 | icml |
Diversified Adversarial Attacks based on Conjugate Gradient Method | null | Deep learning models are vulnerable to adversarial examples, and adversarial attacks used to generate such examples have attracted considerable research interest. Although existing methods based on the steepest descent have achieved high attack success rates, ill-conditioned problems occasionally reduce their performance. To address this limitation, we utilize the conjugate gradient (CG) method, which is effective for this type of problem, and propose a novel attack algorithm inspired by the CG method, named the Auto Conjugate Gradient (ACG) attack. The results of large-scale evaluation experiments conducted on the latest robust models show that, for most models, ACG was able to find more adversarial examples with fewer iterations than the existing SOTA algorithm Auto-PGD (APGD). We investigated the difference in search performance between ACG and APGD in terms of diversification and intensification, and define a measure called Diversity Index (DI) to quantify the degree of diversity. From the analysis of the diversity using this index, we show that the more diverse search of the proposed method remarkably improves its attack success rate. | Keiichiro Yamamura, Haruki Sato, Nariaki Tateiwa, Nozomi Hata, Toru Mitsutake, Issa Oe, Hiroki Ishikura, Katsuki Fujisawa | null | null | 2,022 | icml |
A Difference Standardization Method for Mutual Transfer Learning | null | In many real-world applications, mutual transfer learning is the paradigm that each data domain can potentially be a source or target domain. This is quite different from transfer learning tasks where the source and target are known a priori. However, previous studies about mutual transfer learning either suffer from high computational complexity or oversimplified hypothesis. To overcome these challenges, in this paper, we propose the \underline{Diff}erence \underline{S}tandardization method ({\bf DiffS}) for mutual transfer learning. Specifically, we put forward a novel distance metric between domains, the standardized domain difference, to obtain fast structure recovery and accurate parameter estimation simultaneously. We validate the method’s performance using both synthetic and real-world data. Compared to previous methods, DiffS demonstrates a speed-up of approximately 3000 times that of similar methods and achieves the same accurate learnability structure estimation. | Haoqing Xu, Meng Wang, Beilun Wang | null | null | 2,022 | icml |
Investigating Why Contrastive Learning Benefits Robustness against Label Noise | null | Self-supervised Contrastive Learning (CL) has been recently shown to be very effective in preventing deep networks from overfitting noisy labels. Despite its empirical success, the theoretical understanding of the effect of contrastive learning on boosting robustness is very limited. In this work, we rigorously prove that the representation matrix learned by contrastive learning boosts robustness, by having: (i) one prominent singular value corresponding to each sub-class in the data, and significantly smaller remaining singular values; and (ii) a large alignment between the prominent singular vectors and the clean labels of each sub-class. The above properties enable a linear layer trained on such representations to effectively learn the clean labels without overfitting the noise. We further show that the low-rank structure of the Jacobian of deep networks pre-trained with contrastive learning allows them to achieve a superior performance initially, when fine-tuned on noisy labels. Finally, we demonstrate that the initial robustness provided by contrastive learning enables robust training methods to achieve state-of-the-art performance under extreme noise levels, e.g., an average of 27.18% and 15.58% increase in accuracy on CIFAR-10 and CIFAR-100 with 80% symmetric noisy labels, and 4.11% increase in accuracy on WebVision. | Yihao Xue, Kyle Whitecross, Baharan Mirzasoleiman | null | null | 2,022 | icml |
A Psychological Theory of Explainability | null | The goal of explainable Artificial Intelligence (XAI) is to generate human-interpretable explanations, but there are no computationally precise theories of how humans interpret AI generated explanations. The lack of theory means that validation of XAI must be done empirically, on a case-by-case basis, which prevents systematic theory-building in XAI. We propose a psychological theory of how humans draw conclusions from saliency maps, the most common form of XAI explanation, which for the first time allows for precise prediction of explainee inference conditioned on explanation. Our theory posits that absent explanation humans expect the AI to make similar decisions to themselves, and that they interpret an explanation by comparison to the explanations they themselves would give. Comparison is formalized via Shepard’s universal law of generalization in a similarity space, a classic theory from cognitive science. A pre-registered user study on AI image classifications with saliency map explanations demonstrate that our theory quantitatively matches participants’ predictions of the AI. | Scott Cheng-Hsin Yang, Nils Erik Tomas Folke, Patrick Shafto | null | null | 2,022 | icml |
Searching for BurgerFormer with Micro-Meso-Macro Space Design | null | With the success of Transformers in the computer vision field, the automated design of vision Transformers has attracted significant attention. Recently, MetaFormer found that simple average pooling can achieve impressive performance, which naturally raises the question of how to design a search space to search diverse and high-performance Transformer-like architectures. By revisiting typical search spaces, we design micro-meso-macro space to search for Transformer-like architectures, namely BurgerFormer. Micro, meso, and macro correspond to the granularity levels of operation, block and stage, respectively. At the microscopic level, we enrich the atomic operations to include various normalizations, activation functions, and basic operations (e.g., multi-head self attention, average pooling). At the mesoscopic level, a hamburger structure is searched out as the basic BurgerFormer block. At the macroscopic level, we search for the depth, width, and expansion ratio of the network based on the multi-stage architecture. Meanwhile, we propose a hybrid sampling method for effectively training the supernet. Experimental results demonstrate that the searched BurgerFormer architectures achieve comparable even superior performance compared with current state-of-the-art Transformers on the ImageNet and COCO datasets. The codes can be available at https://github.com/xingxing-123/BurgerFormer. | Longxing Yang, Yu Hu, Shun Lu, Zihao Sun, Jilin Mei, Yinhe Han, Xiaowei Li | null | null | 2,022 | icml |
Active fairness auditing | null | The fast spreading adoption of machine learning (ML) by companies across industries poses significant regulatory challenges. One such challenge is scalability: how can regulatory bodies efficiently audit these ML models, ensuring that they are fair? In this paper, we initiate the study of query-based auditing algorithms that can estimate the demographic parity of ML models in a query-efficient manner. We propose an optimal deterministic algorithm, as well as a practical randomized, oracle-efficient algorithm with comparable guarantees. Furthermore, we make inroads into understanding the optimal query complexity of randomized active fairness estimation algorithms. Our first exploration of active fairness estimation aims to put AI governance on firmer theoretical foundations. | Tom Yan, Chicheng Zhang | null | null | 2,022 | icml |
A Theoretical Analysis on Independence-driven Importance Weighting for Covariate-shift Generalization | null | Covariate-shift generalization, a typical case in out-of-distribution (OOD) generalization, requires a good performance on the unknown test distribution, which varies from the accessible training distribution in the form of covariate shift. Recently, independence-driven importance weighting algorithms in stable learning literature have shown empirical effectiveness to deal with covariate-shift generalization on several learning models, including regression algorithms and deep neural networks, while their theoretical analyses are missing. In this paper, we theoretically prove the effectiveness of such algorithms by explaining them as feature selection processes. We first specify a set of variables, named minimal stable variable set, that is the minimal and optimal set of variables to deal with covariate-shift generalization for common loss functions, such as the mean squared loss and binary cross-entropy loss. Afterward, we prove that under ideal conditions, independence-driven importance weighting algorithms could identify the variables in this set. Analysis of asymptotic properties is also provided. These theories are further validated in several synthetic experiments. | Renzhe Xu, Xingxuan Zhang, Zheyan Shen, Tong Zhang, Peng Cui | null | null | 2,022 | icml |
Omni-Granular Ego-Semantic Propagation for Self-Supervised Graph Representation Learning | null | Unsupervised/self-supervised graph representation learning is critical for downstream node- and graph-level classification tasks. Global structure of graphs helps discriminating representations and existing methods mainly utilize the global structure by imposing additional supervisions. However, their global semantics are usually invariant for all nodes/graphs and they fail to explicitly embed the global semantics to enrich the representations. In this paper, we propose Omni-Granular Ego-Semantic Propagation for Self-Supervised Graph Representation Learning (OEPG). Specifically, we introduce instance-adaptive global-aware ego-semantic descriptors, leveraging the first- and second-order feature differences between each node/graph and hierarchical global clusters of the entire graph dataset. The descriptors can be explicitly integrated into local graph convolution as new neighbor nodes. Besides, we design an omni-granular normalization on the whole scales and hierarchies of the ego-semantic to assign attentional weight to each descriptor from an omni-granular perspective. Specialized pretext tasks and cross-iteration momentum update are further developed for local-global mutual adaptation. In downstream tasks, OEPG consistently achieves the best performance with a 2%~6% accuracy gain on multiple datasets cross scales and domains. Notably, OEPG also generalizes to quantity- and topology-imbalance scenarios. | Ling Yang, Shenda Hong | null | null | 2,022 | icml |
Regularizing a Model-based Policy Stationary Distribution to Stabilize Offline Reinforcement Learning | null | Offline reinforcement learning (RL) extends the paradigm of classical RL algorithms to purely learning from static datasets, without interacting with the underlying environment during the learning process. A key challenge of offline RL is the instability of policy training, caused by the mismatch between the distribution of the offline data and the undiscounted stationary state-action distribution of the learned policy. To avoid the detrimental impact of distribution mismatch, we regularize the undiscounted stationary distribution of the current policy towards the offline data during the policy optimization process. Further, we train a dynamics model to both implement this regularization and better estimate the stationary distribution of the current policy, reducing the error induced by distribution mismatch. On a wide range of continuous-control offline RL datasets, our method indicates competitive performance, which validates our algorithm. The code is publicly available. | Shentao Yang, Yihao Feng, Shujian Zhang, Mingyuan Zhou | null | null | 2,022 | icml |
A Study of Face Obfuscation in ImageNet | null | Face obfuscation (blurring, mosaicing, etc.) has been shown to be effective for privacy protection; nevertheless, object recognition research typically assumes access to complete, unobfuscated images. In this paper, we explore the effects of face obfuscation on the popular ImageNet challenge visual recognition benchmark. Most categories in the ImageNet challenge are not people categories; however, many incidental people appear in the images, and their privacy is a concern. We first annotate faces in the dataset. Then we demonstrate that face obfuscation has minimal impact on the accuracy of recognition models. Concretely, we benchmark multiple deep neural networks on obfuscated images and observe that the overall recognition accuracy drops only slightly (<= 1.0%). Further, we experiment with transfer learning to 4 downstream tasks (object recognition, scene recognition, face attribute classification, and object detection) and show that features learned on obfuscated images are equally transferable. Our work demonstrates the feasibility of privacy-aware visual recognition, improves the highly-used ImageNet challenge benchmark, and suggests an important path for future visual datasets. Data and code are available at https://github.com/princetonvisualai/imagenet-face-obfuscation. | Kaiyu Yang, Jacqueline H. Yau, Li Fei-Fei, Jia Deng, Olga Russakovsky | null | null | 2,022 | icml |
SkexGen: Autoregressive Generation of CAD Construction Sequences with Disentangled Codebooks | null | We present SkexGen, a novel autoregressive generative model for computer-aided design (CAD) construction sequences containing sketch-and-extrude modeling operations. Our model utilizes distinct Transformer architectures to encode topological, geometric, and extrusion variations of construction sequences into disentangled codebooks. Autoregressive Transformer decoders generate CAD construction sequences sharing certain properties specified by the codebook vectors. Extensive experiments demonstrate that our disentangled codebook representation generates diverse and high-quality CAD models, enhances user control, and enables efficient exploration of the design space. The code is available at https://samxuxiang.github.io/skexgen. | Xiang Xu, Karl D.D. Willis, Joseph G Lambourne, Chin-Yi Cheng, Pradeep Kumar Jayaraman, Yasutaka Furukawa | null | null | 2,022 | icml |
Optimally Controllable Perceptual Lossy Compression | null | Recent studies in lossy compression show that distortion and perceptual quality are at odds with each other, which put forward the tradeoff between distortion and perception (D-P). Intuitively, to attain different perceptual quality, different decoders have to be trained. In this paper, we present a nontrivial finding that only two decoders are sufficient for optimally achieving arbitrary (an infinite number of different) D-P tradeoff. We prove that arbitrary points of the D-P tradeoff bound can be achieved by a simple linear interpolation between the outputs of a minimum MSE decoder and a specifically constructed perfect perceptual decoder. Meanwhile, the perceptual quality (in terms of the squared Wasserstein-2 distance metric) can be quantitatively controlled by the interpolation factor. Furthermore, to construct a perfect perceptual decoder, we propose two theoretically optimal training frameworks. The new frameworks are different from the distortion-plus-adversarial loss based heuristic framework widely used in existing methods, which are not only theoretically optimal but also can yield state-of-the-art performance in practical perceptual decoding. Finally, we validate our theoretical finding and demonstrate the superiority of our frameworks via experiments. Code is available at: https://github.com/ZeyuYan/ControllablePerceptual-Compression | Zeyu Yan, Fei Wen, Peilin Liu | null | null | 2,022 | icml |
Injecting Logical Constraints into Neural Networks via Straight-Through Estimators | null | Injecting discrete logical constraints into neural network learning is one of the main challenges in neuro-symbolic AI. We find that a straight-through-estimator, a method introduced to train binary neural networks, could effectively be applied to incorporate logical constraints into neural network learning. More specifically, we design a systematic way to represent discrete logical constraints as a loss function; minimizing this loss using gradient descent via a straight-through-estimator updates the neural network’s weights in the direction that the binarized outputs satisfy the logical constraints. The experimental results show that by leveraging GPUs and batch training, this method scales significantly better than existing neuro-symbolic methods that require heavy symbolic computation for computing gradients. Also, we demonstrate that our method applies to different types of neural networks, such as MLP, CNN, and GNN, making them learn with no or fewer labeled data by learning directly from known constraints. | Zhun Yang, Joohyung Lee, Chiyoun Park | null | null | 2,022 | icml |
Efficient Variance Reduction for Meta-learning | null | Meta-learning tries to learn meta-knowledge from a large number of tasks. However, the stochastic meta-gradient can have large variance due to data sampling (from each task) and task sampling (from the whole task distribution), leading to slow convergence. In this paper, we propose a novel approach that integrates variance reduction with first-order meta-learning algorithms such as Reptile. It retains the bilevel formulation which better captures the structure of meta-learning, but does not require storing the vast number of task-specific parameters in general bilevel variance reduction methods. Theoretical results show that it has fast convergence rate due to variance reduction. Experiments on benchmark few-shot classification data sets demonstrate its effectiveness over state-of-the-art meta-learning algorithms with and without variance reduction. | Hansi Yang, James Kwok | null | null | 2,022 | icml |
Unsupervised Time-Series Representation Learning with Iterative Bilinear Temporal-Spectral Fusion | null | Unsupervised/self-supervised time series representation learning is a challenging problem because of its complex dynamics and sparse annotations. Existing works mainly adopt the framework of contrastive learning with the time-based augmentation techniques to sample positives and negatives for contrastive training. Nevertheless, they mostly use segment-level augmentation derived from time slicing, which may bring about sampling bias and incorrect optimization with false negatives due to the loss of global context. Besides, they all pay no attention to incorporate the spectral information in feature representation. In this paper, we propose a unified framework, namely Bilinear Temporal-Spectral Fusion (BTSF). Specifically, we firstly utilize the instance-level augmentation with a simple dropout on the entire time series for maximally capturing long-term dependencies. We devise a novel iterative bilinear temporal-spectral fusion to explicitly encode the affinities of abundant time-frequency pairs, and iteratively refines representations in a fusion-and-squeeze manner with Spectrum-to-Time (S2T) and Time-to-Spectrum (T2S) Aggregation modules. We firstly conducts downstream evaluations on three major tasks for time series including classification, forecasting and anomaly detection. Experimental results shows that our BTSF consistently significantly outperforms the state-of-the-art methods. | Ling Yang, Shenda Hong | null | null | 2,022 | icml |
Not All Poisons are Created Equal: Robust Training against Data Poisoning | null | Data poisoning causes misclassification of test time target examples, by injecting maliciously crafted samples in the training data. Existing defenses are often effective only against a specific type of targeted attack, significantly degrade the generalization performance, or are prohibitive for standard deep learning pipelines. In this work, we propose an efficient defense mechanism that significantly reduces the success rate of various data poisoning attacks, and provides theoretical guarantees for the performance of the model. Targeted attacks work by adding bounded perturbations to a randomly selected subset of training data to match the targets’ gradient or representation. We show that: (i) under bounded perturbations, only a number of poisons can be optimized to have a gradient that is close enough to that of the target and make the attack successful; (ii) such effective poisons move away from their original class and get isolated in the gradient space; (iii) dropping examples in low-density gradient regions during training can successfully eliminate the effective poisons, and guarantees similar training dynamics to that of training on full data. Our extensive experiments show that our method significantly decreases the success rate of state-of-the-art targeted attacks, including Gradient Matching and Bullseye Polytope, and easily scales to large datasets. | Yu Yang, Tian Yu Liu, Baharan Mirzasoleiman | null | null | 2,022 | icml |
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