OpenRaiser/Intern-Atlas huggingface dataset:
Unsupervised Time-Series Representation Learning with Iterative Bilinear Temporal-Spectral Fusion
Venue: Conference ICML 2022
Year: 2022

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.
Locally Sparse Neural Networks for Tabular Biomedical Data
Venue: Conference ICML 2022
Year: 2022

Tabular datasets with low-sample-size or many variables are prevalent in biomedicine. Practitioners in this domain prefer linear or tree-based models over neural networks since the latter are harder to interpret and tend to overfit when applied to tabular datasets. To address these neural networks' shortcomings, we propose an intrinsically interpretable network for heterogeneous biomedical data. We design a locally sparse neural network where the local sparsity is learned to identify the subset of most relevant features for each sample. This sample-specific sparsity is predicted via a \textit{gating} network, which is trained in tandem with the \textit{prediction} network. By forcing the model to select a subset of the most informative features for each sample, we reduce model overfitting in low-sample-size data and obtain an interpretable model. We demonstrate that our method outperforms state-of-the-art models when applied to synthetic or real-world biomedical datasets using extensive experiments. Furthermore, the proposed framework dramatically outperforms existing schemes when evaluating its interpretability capabilities. Finally, we demonstrate the applicability of our model to two important biomedical tasks: survival analysis and marker gene identification.
Not All Poisons are Created Equal: Robust Training against Data Poisoning
Venue: Conference ICML 2022
Year: 2022

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.
Does the Data Induce Capacity Control in Deep Learning?
Venue: Conference ICML 2022
Year: 2022

We show that the input correlation matrix of typical classification datasets has an eigenspectrum where, after a sharp initial drop, a large number of small eigenvalues are distributed uniformly over an exponentially large range. This structure is mirrored in a network trained on this data: we show that the Hessian and the Fisher Information Matrix (FIM) have eigenvalues that are spread uniformly over exponentially large ranges. We call such eigenspectra "sloppy" because sets of weights corresponding to small eigenvalues can be changed by large magnitudes without affecting the loss. Networks trained on atypical datasets with non-sloppy inputs do not share these traits and deep networks trained on such datasets generalize poorly. Inspired by this, we study the hypothesis that sloppiness of inputs aids generalization in deep networks. We show that if the Hessian is sloppy, we can compute non-vacuous PAC-Bayes generalization bounds analytically. By exploiting our empirical observation that training predominantly takes place in the non-sloppy subspace of the FIM, we develop data-distribution dependent PAC-Bayes priors that lead to accurate generalization bounds using numerical optimization.
Informed Learning by Wide Neural Networks: Convergence, Generalization and Sampling Complexity
Venue: Conference ICML 2022
Year: 2022

By integrating domain knowledge with labeled samples, informed machine learning has been emerging to improve the learning performance for a wide range of applications. Nonetheless, rigorous understanding of the role of injected domain knowledge has been under-explored. In this paper, we consider an informed deep neural network (DNN) with over-parameterization and domain knowledge integrated into its training objective function, and study how and why domain knowledge benefits the performance. Concretely, we quantitatively demonstrate the two benefits of domain knowledge in informed learning - regularizing the label-based supervision and supplementing the labeled samples - and reveal the trade-off between label and knowledge imperfectness in the bound of the population risk. Based on the theoretical analysis, we propose a generalized informed training objective to better exploit the benefits of knowledge and balance the label and knowledge imperfectness, which is validated by the population risk bound. Our analysis on sampling complexity sheds lights on how to choose the hyper-parameters for informed learning, and further justifies the advantages of knowledge informed learning.
Linear Bandit Algorithms with Sublinear Time Complexity
Venue: Conference ICML 2022
Year: 2022

We propose two linear bandits algorithms with per-step complexity sublinear in the number of arms $K$. The algorithms are designed for applications where the arm set is extremely large and slowly changing. Our key realization is that choosing an arm reduces to a maximum inner product search (MIPS) problem, which can be solved approximately without breaking regret guarantees. Existing approximate MIPS solvers run in sublinear time. We extend those solvers and present theoretical guarantees for online learning problems, where adaptivity (i.e., a later step depends on the feedback in previous steps) becomes a unique challenge. We then explicitly characterize the tradeoff between the per-step complexity and regret. For sufficiently large $K$, our algorithms have sublinear per-step complexity and $\tilde O(\sqrt{T})$ regret. Empirically, we evaluate our proposed algorithms in a synthetic environment and a real-world online movie recommendation problem. Our proposed algorithms can deliver a more than 72 times speedup compared to the linear time baselines while retaining similar regret.
A New Perspective on the Effects of Spectrum in Graph Neural Networks
Venue: Conference ICML 2022
Year: 2022

Many improvements on GNNs can be deemed as operations on the spectrum of the underlying graph matrix, which motivates us to directly study the characteristics of the spectrum and their effects on GNN performance. By generalizing most existing GNN architectures, we show that the correlation issue caused by the $unsmooth$ spectrum becomes the obstacle to leveraging more powerful graph filters as well as developing deep architectures, which therefore restricts GNNs' performance. Inspired by this, we propose the correlation-free architecture which naturally removes the correlation issue among different channels, making it possible to utilize more sophisticated filters within each channel. The final correlation-free architecture with more powerful filters consistently boosts the performance of learning graph representations. Code is available at https://github.com/qslim/gnn-spectrum.
A Study of Face Obfuscation in ImageNet
Venue: Conference ICML 2022
Year: 2022

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.
Estimating Instance-dependent Bayes-label Transition Matrix using a Deep Neural Network
Venue: Conference ICML 2022
Year: 2022

In label-noise learning, estimating the transition matrix is a hot topic as the matrix plays an important role in building statistically consistent classifiers. Traditionally, the transition from clean labels to noisy labels (i.e., clean-label transition matrix (CLTM)) has been widely exploited to learn a clean label classifier by employing the noisy data. Motivated by that classifiers mostly output Bayes optimal labels for prediction, in this paper, we study to directly model the transition from Bayes optimal labels to noisy labels (i.e., Bayes-label transition matrix (BLTM)) and learn a classifier to predict Bayes optimal labels. Note that given only noisy data, it is ill-posed to estimate either the CLTM or the BLTM. But favorably, Bayes optimal labels have less uncertainty compared with the clean labels, i.e., the class posteriors of Bayes optimal labels are one-hot vectors while those of clean labels are not. This enables two advantages to estimate the BLTM, i.e., (a) a set of examples with theoretically guaranteed Bayes optimal labels can be collected out of noisy data; (b) the feasible solution space is much smaller. By exploiting the advantages, we estimate the BLTM parametrically by employing a deep neural network, leading to better generalization and superior classification performance.
Improving Out-of-Distribution Robustness via Selective Augmentation
Venue: Conference ICML 2022
Year: 2022

Machine learning algorithms typically assume that training and test examples are drawn from the same distribution. However, distribution shift is a common problem in real-world applications and can cause models to perform dramatically worse at test time. In this paper, we specifically consider the problems of subpopulation shifts (e.g., imbalanced data) and domain shifts. While prior works often seek to explicitly regularize internal representations or predictors of the model to be domain invariant, we instead aim to learn invariant predictors without restricting the model's internal representations or predictors. This leads to a simple mixup-based technique which learns invariant predictors via selective augmentation called LISA. LISA selectively interpolates samples either with the same labels but different domains or with the same domain but different labels. Empirically, we study the effectiveness of LISA on nine benchmarks ranging from subpopulation shifts to domain shifts, and we find that LISA consistently outperforms other state-of-the-art methods and leads to more invariant predictors. We further analyze a linear setting and theoretically show how LISA leads to a smaller worst-group error.
Learning from a Learning User for Optimal Recommendations
Venue: Conference ICML 2022
Year: 2022

In real-world recommendation problems, especially those with a formidably large item space, users have to gradually learn to estimate the utility of any fresh recommendations from their experience about previously consumed items. This in turn affects their interaction dynamics with the system and can invalidate previous algorithms built on the omniscient user assumption. In this paper, we formalize a model to capture such "learning users" and design an efficient system-side learning solution, coined Noise-Robust Active Ellipsoid Search (RAES), to confront the challenges brought by the non-stationary feedback from such a learning user. Interestingly, we prove that the regret of RAES deteriorates gracefully as the convergence rate of user learning becomes worse, until reaching linear regret when the user's learning fails to converge. Experiments on synthetic datasets demonstrate the strength of RAES for such a contemporaneous system-user learning problem. Our study provides a novel perspective on modeling the feedback loop in recommendation problems.
NLP From Scratch Without Large-Scale Pretraining: A Simple and Efficient Framework
Venue: Conference ICML 2022
Year: 2022

Pretrained language models have become the standard approach for many NLP tasks due to strong performance, but they are very expensive to train. We propose a simple and efficient learning framework, TLM, that does not rely on large-scale pretraining. Given some labeled task data and a large general corpus, TLM uses task data as queries to retrieve a tiny subset of the general corpus and jointly optimizes the task objective and the language modeling objective from scratch. On eight classification datasets in four domains, TLM achieves results better than or similar to pretrained language models (e.g., RoBERTa-Large) while reducing the training FLOPs by two orders of magnitude. With high accuracy and efficiency, we hope TLM will contribute to democratizing NLP and expediting its development.
Feature Space Particle Inference for Neural Network Ensembles
Venue: Conference ICML 2022
Year: 2022

Ensembles of deep neural networks demonstrate improved performance over single models. For enhancing the diversity of ensemble members while keeping their performance, particle-based inference methods offer a promising approach from a Bayesian perspective. However, the best way to apply these methods to neural networks is still unclear: seeking samples from the weight-space posterior suffers from inefficiency due to the over-parameterization issues, while seeking samples directly from the function-space posterior often results in serious underfitting. In this study, we propose optimizing particles in the feature space where the activation of a specific intermediate layer lies to address the above-mentioned difficulties. Our method encourages each member to capture distinct features, which is expected to improve ensemble prediction robustness. Extensive evaluation on real-world datasets shows that our model significantly outperforms the gold-standard Deep Ensembles on various metrics, including accuracy, calibration, and robustness. Code is available at https://github.com/DensoITLab/featurePI .
Centroid Approximation for Bootstrap: Improving Particle Quality at Inference
Venue: Conference ICML 2022
Year: 2022

Bootstrap is a principled and powerful frequentist statistical tool for uncertainty quantification. Unfortunately, standard bootstrap methods are computationally intensive due to the need of drawing a large i.i.d. bootstrap sample to approximate the ideal bootstrap distribution; this largely hinders their application in large-scale machine learning, especially deep learning problems. In this work, we propose an efficient method to explicitly \emph{optimize} a small set of high quality ``centroid'' points to better approximate the ideal bootstrap distribution. We achieve this by minimizing a simple objective function that is asymptotically equivalent to the Wasserstein distance to the ideal bootstrap distribution. This allows us to provide an accurate estimation of uncertainty with a small number of bootstrap centroids, outperforming the naive i.i.d. sampling approach. Empirically, we show that our method can boost the performance of bootstrap in a variety of applications.
Understanding Robust Overfitting of Adversarial Training and Beyond
Venue: Conference ICML 2022
Year: 2022

Robust overfitting widely exists in adversarial training of deep networks. The exact underlying reasons for this are still not completely understood. Here, we explore the causes of robust overfitting by comparing the data distribution of \emph{non-overfit} (weak adversary) and \emph{overfitted} (strong adversary) adversarial training, and observe that the distribution of the adversarial data generated by weak adversary mainly contain small-loss data. However, the adversarial data generated by strong adversary is more diversely distributed on the large-loss data and the small-loss data. Given these observations, we further designed data ablation adversarial training and identify that some small-loss data which are not worthy of the adversary strength cause robust overfitting in the strong adversary mode. To relieve this issue, we propose \emph{minimum loss constrained adversarial training} (MLCAT): in a minibatch, we learn large-loss data as usual, and adopt additional measures to increase the loss of the small-loss data. Technically, MLCAT hinders data fitting when they become easy to learn to prevent robust overfitting; philosophically, MLCAT reflects the spirit of turning waste into treasure and making the best use of each adversarial data; algorithmically, we designed two realizations of MLCAT, and extensive experiments demonstrate that MLCAT can eliminate robust overfitting and further boost adversarial robustness.
Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks
Venue: Conference ICML 2022
Year: 2022

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs individually while neglecting their connections, such as motif-level relationships. We propose a novel molecular graph representation learning method by constructing a heterogeneous motif graph to address this issue. In particular, we build a heterogeneous motif graph that contains motif nodes and molecular nodes. Each motif node corresponds to a motif extracted from molecules. Then, we propose a Heterogeneous Motif Graph Neural Network (HM-GNN) to learn feature representations for each node in the heterogeneous motif graph. Our heterogeneous motif graph also enables effective multi-task learning, especially for small molecular datasets. To address the potential efficiency issue, we propose to use an edge sampler, which can significantly reduce computational resources usage. The experimental results show that our model consistently outperforms previous state-of-the-art models. Under multi-task settings, the promising performances of our methods on combined datasets shed light on a new learning paradigm for small molecular datasets. Finally, we show that our model achieves similar performances with significantly less computational resources by using our edge sampler.
How to Leverage Unlabeled Data in Offline Reinforcement Learning
Venue: Conference ICML 2022
Year: 2022

Offline reinforcement learning (RL) can learn control policies from static datasets but, like standard RL methods, it requires reward annotations for every transition. In many cases, labeling large datasets with rewards may be costly, especially if those rewards must be provided by human labelers, while collecting diverse unlabeled data might be comparatively inexpensive. How can we best leverage such unlabeled data in offline RL? One natural solution is to learn a reward function from the labeled data and use it to label the unlabeled data. In this paper, we find that, perhaps surprisingly, a much simpler method that simply applies zero rewards to unlabeled data leads to effective data sharing both in theory and in practice, without learning any reward model at all. While this approach might seem strange (and incorrect) at first, we provide extensive theoretical and empirical analysis that illustrates how it trades off reward bias, sample complexity and distributional shift, often leading to good results. We characterize conditions under which this simple strategy is effective, and further show that extending it with a simple reweighting approach can further alleviate the bias introduced by using incorrect reward labels. Our empirical evaluation confirms these findings in simulated robotic locomotion, navigation, and manipulation settings.
Topology-Aware Network Pruning using Multi-stage Graph Embedding and Reinforcement Learning
Venue: Conference ICML 2022
Year: 2022

Model compression is an essential technique for deploying deep neural networks (DNNs) on power and memory-constrained resources. However, existing model-compression methods often rely on human expertise and focus on parameters' local importance, ignoring the rich topology information within DNNs. In this paper, we propose a novel multi-stage graph embedding technique based on graph neural networks (GNNs) to identify DNN topologies and use reinforcement learning (RL) to find a suitable compression policy. We performed resource-constrained (i.e., FLOPs) channel pruning and compared our approach with state-of-the-art model compression methods. We evaluated our method on various models from typical to mobile-friendly networks, such as ResNet family, VGG-16, MobileNet-v1/v2, and ShuffleNet. Results show that our method can achieve higher compression ratios with a minimal fine-tuning cost yet yields outstanding and competitive performance.