OpenRaiser/Intern-Atlas huggingface dataset:
EL-Attention: Memory Efficient Lossless Attention for Generation
Venue: Conference ICML 2021
Year: 2021

Transformer model with multi-head attention requires caching intermediate results for efficient inference in generation tasks. However, cache brings new memory-related costs and prevents leveraging larger batch size for faster speed. We propose memory-efficient lossless attention (called EL-attention) to address this issue. It avoids heavy operations for building multi-head keys and values, cache for them is not needed. EL-attention constructs an ensemble of attention results by expanding query while keeping key and value shared. It produces the same result as multi-head attention with less GPU memory and faster inference speed. We conduct extensive experiments on Transformer, BART, and GPT-2 for summarization and question generation tasks. The results show EL-attention speeds up existing models by 1.6x to 5.3x without accuracy loss.
Link Prediction with Persistent Homology: An Interactive View
Venue: Conference ICML 2021
Year: 2021

Link prediction is an important learning task for graph-structured data. In this paper, we propose a novel topological approach to characterize interactions between two nodes. Our topological feature, based on the extended persistent homology, encodes rich structural information regarding the multi-hop paths connecting nodes. Based on this feature, we propose a graph neural network method that outperforms state-of-the-arts on different benchmarks. As another contribution, we propose a novel algorithm to more efficiently compute the extended persistence diagrams for graphs. This algorithm can be generally applied to accelerate many other topological methods for graph learning tasks.
CATE: Computation-aware Neural Architecture Encoding with Transformers
Venue: Conference ICML 2021
Year: 2021

Recent works (White et al., 2020a; Yan et al., 2020) demonstrate the importance of architecture encodings in Neural Architecture Search (NAS). These encodings encode either structure or computation information of the neural architectures. Compared to structure-aware encodings, computation-aware encodings map architectures with similar accuracies to the same region, which improves the downstream architecture search performance (Zhang et al., 2019; White et al., 2020a). In this work, we introduce a Computation-Aware Transformer-based Encoding method called CATE. Different from existing computation-aware encodings based on fixed transformation (e.g. path encoding), CATE employs a pairwise pre-training scheme to learn computation-aware encodings using Transformers with cross-attention. Such learned encodings contain dense and contextualized computation information of neural architectures. We compare CATE with eleven encodings under three major encoding-dependent NAS subroutines in both small and large search spaces. Our experiments show that CATE is beneficial to the downstream search, especially in the large search space. Moreover, the outside search space experiment demonstrates its superior generalization ability beyond the search space on which it was trained. Our code is available at: https://github.com/MSU-MLSys-Lab/CATE.
On Perceptual Lossy Compression: The Cost of Perceptual Reconstruction and An Optimal Training Framework
Venue: Conference ICML 2021
Year: 2021

Lossy compression algorithms are typically designed to achieve the lowest possible distortion at a given bit rate. However, recent studies show that pursuing high perceptual quality would lead to increase of the lowest achievable distortion (e.g., MSE). This paper provides nontrivial results theoretically revealing that, \textit{1}) the cost of achieving perfect perception quality is exactly a doubling of the lowest achievable MSE distortion, \textit{2}) an optimal encoder for the "classic" rate-distortion problem is also optimal for the perceptual compression problem, \textit{3}) distortion loss is unnecessary for training a perceptual decoder. Further, we propose a novel training framework to achieve the lowest MSE distortion under perfect perception constraint at a given bit rate. This framework uses a GAN with discriminator conditioned on an MSE-optimized encoder, which is superior over the traditional framework using distortion plus adversarial loss. Experiments are provided to verify the theoretical finding and demonstrate the superiority of the proposed training framework.
CIFS: Improving Adversarial Robustness of CNNs via Channel-wise Importance-based Feature Selection
Venue: Conference ICML 2021
Year: 2021

We investigate the adversarial robustness of CNNs from the perspective of channel-wise activations. By comparing \textit{non-robust} (normally trained) and \textit{robustified} (adversarially trained) models, we observe that adversarial training (AT) robustifies CNNs by aligning the channel-wise activations of adversarial data with those of their natural counterparts. However, the channels that are \textit{negatively-relevant} (NR) to predictions are still over-activated when processing adversarial data. Besides, we also observe that AT does not result in similar robustness for all classes. For the robust classes, channels with larger activation magnitudes are usually more \textit{positively-relevant} (PR) to predictions, but this alignment does not hold for the non-robust classes. Given these observations, we hypothesize that suppressing NR channels and aligning PR ones with their relevances further enhances the robustness of CNNs under AT. To examine this hypothesis, we introduce a novel mechanism, i.e., \underline{C}hannel-wise \underline{I}mportance-based \underline{F}eature \underline{S}election (CIFS). The CIFS manipulates channels' activations of certain layers by generating non-negative multipliers to these channels based on their relevances to predictions. Extensive experiments on benchmark datasets including CIFAR10 and SVHN clearly verify the hypothesis and CIFS's effectiveness of robustifying CNNs. \url{https://github.com/HanshuYAN/CIFS}
Exact Gap between Generalization Error and Uniform Convergence in Random Feature Models
Venue: Conference ICML 2021
Year: 2021

Recent work showed that there could be a large gap between the classical uniform convergence bound and the actual test error of zero-training-error predictors (interpolators) such as deep neural networks. To better understand this gap, we study the uniform convergence in the nonlinear random feature model and perform a precise theoretical analysis on how uniform convergence depends on the sample size and the number of parameters. We derive and prove analytical expressions for three quantities in this model: 1) classical uniform convergence over norm balls, 2) uniform convergence over interpolators in the norm ball (recently proposed by Zhou et al. (2020)), and 3) the risk of minimum norm interpolator. We show that, in the setting where the classical uniform convergence bound is vacuous (diverges to $\infty$), uniform convergence over the interpolators still gives a non-trivial bound of the test error of interpolating solutions. We also showcase a different setting where classical uniform convergence bound is non-vacuous, but uniform convergence over interpolators can give an improved sample complexity guarantee. Our result provides a first exact comparison between the test errors and uniform convergence bounds for interpolators beyond simple linear models.
On Limited-Memory Subsampling Strategies for Bandits
Venue: Conference ICML 2021
Year: 2021

There has been a recent surge of interest in nonparametric bandit algorithms based on subsampling. One drawback however of these approaches is the additional complexity required by random subsampling and the storage of the full history of rewards. Our first contribution is to show that a simple deterministic subsampling rule, proposed in the recent work of Baudry et al. (2020) under the name of ''last-block subsampling'', is asymptotically optimal in one-parameter exponential families. In addition, we prove that these guarantees also hold when limiting the algorithm memory to a polylogarithmic function of the time horizon. These findings open up new perspectives, in particular for non-stationary scenarios in which the arm distributions evolve over time. We propose a variant of the algorithm in which only the most recent observations are used for subsampling, achieving optimal regret guarantees under the assumption of a known number of abrupt changes. Extensive numerical simulations highlight the merits of this approach, particularly when the changes are not only affecting the means of the rewards.
LARNet: Lie Algebra Residual Network for Face Recognition
Venue: Conference ICML 2021
Year: 2021

Face recognition is an important yet challenging problem in computer vision. A major challenge in practical face recognition applications lies in significant variations between profile and frontal faces. Traditional techniques address this challenge either by synthesizing frontal faces or by pose invariant learning. In this paper, we propose a novel method with Lie algebra theory to explore how face rotation in the 3D space affects the deep feature generation process of convolutional neural networks (CNNs). We prove that face rotation in the image space is equivalent to an additive residual component in the feature space of CNNs, which is determined solely by the rotation. Based on this theoretical finding, we further design a Lie Algebraic Residual Network (LARNet) for tackling pose robust face recognition. Our LARNet consists of a residual subnet for decoding rotation information from input face images, and a gating subnet to learn rotation magnitude for controlling the strength of the residual component contributing to the feature learning process. Comprehensive experimental evaluations on both frontal-profile face datasets and general face recognition datasets convincingly demonstrate that our method consistently outperforms the state-of-the-art ones.
Tensor Programs IIb: Architectural Universality Of Neural Tangent Kernel Training Dynamics
Venue: Conference ICML 2021
Year: 2021

Yang (2020a) recently showed that the Neural Tangent Kernel (NTK) at initialization has an infinite-width limit for a large class of architectures including modern staples such as ResNet and Transformers. However, their analysis does not apply to training. Here, we show the same neural networks (in the so-called NTK parametrization) during training follow a kernel gradient descent dynamics in function space, where the kernel is the infinite-width NTK. This completes the proof of the *architectural universality* of NTK behavior. To achieve this result, we apply the Tensor Programs technique: Write the entire SGD dynamics inside a Tensor Program and analyze it via the Master Theorem. To facilitate this proof, we develop a graphical notation for Tensor Programs.
Graph Neural Networks Inspired by Classical Iterative Algorithms
Venue: Conference ICML 2021
Year: 2021

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of graph heterophily or adversarial attacks. To at least partially address these issues within a simple transparent framework, we consider a new family of GNN layers designed to mimic and integrate the update rules of two classical iterative algorithms, namely, proximal gradient descent and iterative reweighted least squares (IRLS). The former defines an extensible base GNN architecture that is immune to oversmoothing while nonetheless capturing long-range dependencies by allowing arbitrary propagation steps. In contrast, the latter produces a novel attention mechanism that is explicitly anchored to an underlying end-to-end energy function, contributing stability with respect to edge uncertainty. When combined we obtain an extremely simple yet robust model that we evaluate across disparate scenarios including standardized benchmarks, adversarially-perturbated graphs, graphs with heterophily, and graphs involving long-range dependencies. In doing so, we compare against SOTA GNN approaches that have been explicitly designed for the respective task, achieving competitive or superior node classification accuracy. Our code is available at https://github.com/FFTYYY/TWIRLS.
Representation Matters: Offline Pretraining for Sequential Decision Making
Venue: Conference ICML 2021
Year: 2021

The recent success of supervised learning methods on ever larger offline datasets has spurred interest in the reinforcement learning (RL) field to investigate whether the same paradigms can be translated to RL algorithms. This research area, known as offline RL, has largely focused on offline policy optimization, aiming to find a return-maximizing policy exclusively from offline data. In this paper, we consider a slightly different approach to incorporating offline data into sequential decision-making. We aim to answer the question, what unsupervised objectives applied to offline datasets are able to learn state representations which elevate performance on downstream tasks, whether those downstream tasks be online RL, imitation learning from expert demonstrations, or even offline policy optimization based on the same offline dataset? Through a variety of experiments utilizing standard offline RL datasets, we find that the use of pretraining with unsupervised learning objectives can dramatically improve the performance of policy learning algorithms that otherwise yield mediocre performance on their own. Extensive ablations further provide insights into what components of these unsupervised objectives -- e.g., reward prediction, continuous or discrete representations, pretraining or finetuning -- are most important and in which settings.
Delving into Deep Imbalanced Regression
Venue: Conference ICML 2021
Year: 2021

Real-world data often exhibit imbalanced distributions, where certain target values have significantly fewer observations. Existing techniques for dealing with imbalanced data focus on targets with categorical indices, i.e., different classes. However, many tasks involve continuous targets, where hard boundaries between classes do not exist. We define Deep Imbalanced Regression (DIR) as learning from such imbalanced data with continuous targets, dealing with potential missing data for certain target values, and generalizing to the entire target range. Motivated by the intrinsic difference between categorical and continuous label space, we propose distribution smoothing for both labels and features, which explicitly acknowledges the effects of nearby targets, and calibrates both label and learned feature distributions. We curate and benchmark large-scale DIR datasets from common real-world tasks in computer vision, natural language processing, and healthcare domains. Extensive experiments verify the superior performance of our strategies. Our work fills the gap in benchmarks and techniques for practical imbalanced regression problems. Code and data are available at https://github.com/YyzHarry/imbalanced-regression.
Backpropagated Neighborhood Aggregation for Accurate Training of Spiking Neural Networks
Venue: Conference ICML 2021
Year: 2021

While backpropagation (BP) has been applied to spiking neural networks (SNNs) achieving encouraging results, a key challenge involved is to backpropagate a continuous-valued loss over layers of spiking neurons exhibiting discontinuous all-or-none firing activities. Existing methods deal with this difficulty by introducing compromises that come with their own limitations, leading to potential performance degradation. We propose a novel BP-like method, called neighborhood aggregation (NA), which computes accurate error gradients guiding weight updates that may lead to discontinuous modifications of firing activities. NA achieves this goal by aggregating finite differences of the loss over multiple perturbed membrane potential waveforms in the neighborhood of the present membrane potential of each neuron while utilizing a new membrane potential distance function. Our experiments show that the proposed NA algorithm delivers the state-of-the-art performance for SNN training on several datasets.
Improving Generalization in Meta-learning via Task Augmentation
Venue: Conference ICML 2021
Year: 2021

Meta-learning has proven to be a powerful paradigm for transferring the knowledge from previous tasks to facilitate the learning of a novel task. Current dominant algorithms train a well-generalized model initialization which is adapted to each task via the support set. The crux lies in optimizing the generalization capability of the initialization, which is measured by the performance of the adapted model on the query set of each task. Unfortunately, this generalization measure, evidenced by empirical results, pushes the initialization to overfit the meta-training tasks, which significantly impairs the generalization and adaptation to novel tasks. To address this issue, we actively augment a meta-training task with "more data" when evaluating the generalization. Concretely, we propose two task augmentation methods, including MetaMix and Channel Shuffle. MetaMix linearly combines features and labels of samples from both the support and query sets. For each class of samples, Channel Shuffle randomly replaces a subset of their channels with the corresponding ones from a different class. Theoretical studies show how task augmentation improves the generalization of meta-learning. Moreover, both MetaMix and Channel Shuffle outperform state-of-the-art results by a large margin across many datasets and are compatible with existing meta-learning algorithms.
Addressing Catastrophic Forgetting in Few-Shot Problems
Venue: Conference ICML 2021
Year: 2021

Neural networks are known to suffer from catastrophic forgetting when trained on sequential datasets. While there have been numerous attempts to solve this problem in large-scale supervised classification, little has been done to overcome catastrophic forgetting in few-shot classification problems. We demonstrate that the popular gradient-based model-agnostic meta-learning algorithm (MAML) indeed suffers from catastrophic forgetting and introduce a Bayesian online meta-learning framework that tackles this problem. Our framework utilises Bayesian online learning and meta-learning along with Laplace approximation and variational inference to overcome catastrophic forgetting in few-shot classification problems. The experimental evaluations demonstrate that our framework can effectively achieve this goal in comparison with various baselines. As an additional utility, we also demonstrate empirically that our framework is capable of meta-learning on sequentially arriving few-shot tasks from a stationary task distribution.
Reinforcement Learning with Prototypical Representations
Venue: Conference ICML 2021
Year: 2021

Learning effective representations in image-based environments is crucial for sample efficient Reinforcement Learning (RL). Unfortunately, in RL, representation learning is confounded with the exploratory experience of the agent -- learning a useful representation requires diverse data, while effective exploration is only possible with coherent representations. Furthermore, we would like to learn representations that not only generalize across tasks but also accelerate downstream exploration for efficient task-specific training. To address these challenges we propose Proto-RL, a self-supervised framework that ties representation learning with exploration through prototypical representations. These prototypes simultaneously serve as a summarization of the exploratory experience of an agent as well as a basis for representing observations. We pre-train these task-agnostic representations and prototypes on environments without downstream task information. This enables state-of-the-art downstream policy learning on a set of difficult continuous control tasks.
Break-It-Fix-It: Unsupervised Learning for Program Repair
Venue: Conference ICML 2021
Year: 2021

We consider repair tasks: given a critic (e.g., compiler) that assesses the quality of an input, the goal is to train a fixer that converts a bad example (e.g., code with syntax errors) into a good one (e.g., code with no syntax errors). Existing works create training data consisting of (bad, good) pairs by corrupting good examples using heuristics (e.g., dropping tokens). However, fixers trained on this synthetically-generated data do not extrapolate well to the real distribution of bad inputs. To bridge this gap, we propose a new training approach, Break-It-Fix-It (BIFI), which has two key ideas: (i) we use the critic to check a fixer's output on real bad inputs and add good (fixed) outputs to the training data, and (ii) we train a breaker to generate realistic bad code from good code. Based on these ideas, we iteratively update the breaker and the fixer while using them in conjunction to generate more paired data. We evaluate BIFI on two code repair datasets: GitHub-Python, a new dataset we introduce where the goal is to repair Python code with AST parse errors; and DeepFix, where the goal is to repair C code with compiler errors. BIFI outperforms existing methods, obtaining 90.5% repair accuracy on GitHub-Python (+28.5%) and 71.7% on DeepFix (+5.6%). Notably, BIFI does not require any labeled data; we hope it will be a strong starting point for unsupervised learning of various repair tasks.
Neighborhood Contrastive Learning Applied to Online Patient Monitoring
Venue: Conference ICML 2021
Year: 2021

Intensive care units (ICU) are increasingly looking towards machine learning for methods to provide online monitoring of critically ill patients. In machine learning, online monitoring is often formulated as a supervised learning problem. Recently, contrastive learning approaches have demonstrated promising improvements over competitive supervised benchmarks. These methods rely on well-understood data augmentation techniques developed for image data which do not apply to online monitoring. In this work, we overcome this limitation by supplementing time-series data augmentation techniques with a novel contrastive learning objective which we call neighborhood contrastive learning (NCL). Our objective explicitly groups together contiguous time segments from each patient while maintaining state-specific information. Our experiments demonstrate a marked improvement over existing work applying contrastive methods to medical time-series.
From Local Structures to Size Generalization in Graph Neural Networks
Venue: Conference ICML 2021
Year: 2021

Graph neural networks (GNNs) can process graphs of different sizes, but their ability to generalize across sizes, specifically from small to large graphs, is still not well understood. In this paper, we identify an important type of data where generalization from small to large graphs is challenging: graph distributions for which the local structure depends on the graph size. This effect occurs in multiple important graph learning domains, including social and biological networks. We first prove that when there is a difference between the local structures, GNNs are not guaranteed to generalize across sizes: there are "bad" global minima that do well on small graphs but fail on large graphs. We then study the size-generalization problem empirically and demonstrate that when there is a discrepancy in local structure, GNNs tend to converge to non-generalizing solutions. Finally, we suggest two approaches for improving size generalization, motivated by our findings. Notably, we propose a novel Self-Supervised Learning (SSL) task aimed at learning meaningful representations of local structures that appear in large graphs. Our SSL task improves classification accuracy on several popular datasets.