OpenRaiser/Intern-Atlas huggingface dataset:
Finite-Sample Analysis of Off-Policy TD-Learning via Generalized Bellman Operators
Venue: Conference NeurIPS 2021
Year: 2021

In temporal difference (TD) learning, off-policy sampling is known to be more practical than on-policy sampling, and by decoupling learning from data collection, it enables data reuse. It is known that policy evaluation (including multi-step off-policy importance sampling) has the interpretation of solving a generalized Bellman equation. In this paper, we derive finite-sample bounds for any general off-policy TD-like stochastic approximation algorithm that solves for the fixed-point of this generalized Bellman operator. Our key step is to show that the generalized Bellman operator is simultaneously a contraction mapping with respect to a weighted $\ell_p$-norm for each $p$ in $[1,\infty)$, with a common contraction factor. Off-policy TD-learning is known to suffer from high variance due to the product of importance sampling ratios. A number of algorithms (e.g. $Q^π(λ)$, Tree-Backup$(λ)$, Retrace$(λ)$, and $Q$-trace) have been proposed in the literature to address this issue. Our results immediately imply finite-sample bounds of these algorithms. In particular, we provide first-known finite-sample guarantees for $Q^π(λ)$, Tree-Backup$(λ)$, and Retrace$(λ)$, and improve the best known bounds of $Q$-trace in [19]. Moreover, we show the bias-variance trade-offs in each of these algorithms.
A Bi-Level Framework for Learning to Solve Combinatorial Optimization on Graphs
Venue: Conference NeurIPS 2021
Year: 2021

Combinatorial Optimization (CO) has been a long-standing challenging research topic featured by its NP-hard nature. Traditionally such problems are approximately solved with heuristic algorithms which are usually fast but may sacrifice the solution quality. Currently, machine learning for combinatorial optimization (MLCO) has become a trending research topic, but most existing MLCO methods treat CO as a single-level optimization by directly learning the end-to-end solutions, which are hard to scale up and mostly limited by the capacity of ML models given the high complexity of CO. In this paper, we propose a hybrid approach to combine the best of the two worlds, in which a bi-level framework is developed with an upper-level learning method to optimize the graph (e.g. add, delete or modify edges in a graph), fused with a lower-level heuristic algorithm solving on the optimized graph. Such a bi-level approach simplifies the learning on the original hard CO and can effectively mitigate the demand for model capacity. The experiments and results on several popular CO problems like Directed Acyclic Graph scheduling, Graph Edit Distance and Hamiltonian Cycle Problem show its effectiveness over manually designed heuristics and single-level learning methods.
When does Contrastive Learning Preserve Adversarial Robustness from Pretraining to Finetuning?
Venue: Conference NeurIPS 2021
Year: 2021

Contrastive learning (CL) can learn generalizable feature representations and achieve the state-of-the-art performance of downstream tasks by finetuning a linear classifier on top of it. However, as adversarial robustness becomes vital in image classification, it remains unclear whether or not CL is able to preserve robustness to downstream tasks. The main challenge is that in the self-supervised pretraining + supervised finetuning paradigm, adversarial robustness is easily forgotten due to a learning task mismatch from pretraining to finetuning. We call such a challenge 'cross-task robustness transferability'. To address the above problem, in this paper we revisit and advance CL principles through the lens of robustness enhancement. We show that (1) the design of contrastive views matters: High-frequency components of images are beneficial to improving model robustness; (2) Augmenting CL with pseudo-supervision stimulus (e.g., resorting to feature clustering) helps preserve robustness without forgetting. Equipped with our new designs, we propose AdvCL, a novel adversarial contrastive pretraining framework. We show that AdvCL is able to enhance cross-task robustness transferability without loss of model accuracy and finetuning efficiency. With a thorough experimental study, we demonstrate that AdvCL outperforms the state-of-the-art self-supervised robust learning methods across multiple datasets (CIFAR-10, CIFAR-100, and STL-10) and finetuning schemes (linear evaluation and full model finetuning).
Learning to Predict Trustworthiness with Steep Slope Loss
Venue: Conference NeurIPS 2021
Year: 2021

Understanding the trustworthiness of a prediction yielded by a classifier is critical for the safe and effective use of AI models. Prior efforts have been proven to be reliable on small-scale datasets. In this work, we study the problem of predicting trustworthiness on real-world large-scale datasets, where the task is more challenging due to high-dimensional features, diverse visual concepts, and large-scale samples. In such a setting, we observe that the trustworthiness predictors trained with prior-art loss functions, i.e., the cross entropy loss, focal loss, and true class probability confidence loss, are prone to view both correct predictions and incorrect predictions to be trustworthy. The reasons are two-fold. Firstly, correct predictions are generally dominant over incorrect predictions. Secondly, due to the data complexity, it is challenging to differentiate the incorrect predictions from the correct ones on real-world large-scale datasets. To improve the generalizability of trustworthiness predictors, we propose a novel steep slope loss to separate the features w.r.t. correct predictions from the ones w.r.t. incorrect predictions by two slide-like curves that oppose each other. The proposed loss is evaluated with two representative deep learning models, i.e., Vision Transformer and ResNet, as trustworthiness predictors. We conduct comprehensive experiments and analyses on ImageNet, which show that the proposed loss effectively improves the generalizability of trustworthiness predictors. The code and pre-trained trustworthiness predictors for reproducibility are available at https://github.com/luoyan407/predict_trustworthiness.
NeRV: Neural Representations for Videos
Venue: Conference NeurIPS 2021
Year: 2021

We propose a novel neural representation for videos (NeRV) which encodes videos in neural networks. Unlike conventional representations that treat videos as frame sequences, we represent videos as neural networks taking frame index as input. Given a frame index, NeRV outputs the corresponding RGB image. Video encoding in NeRV is simply fitting a neural network to video frames and decoding process is a simple feedforward operation. As an image-wise implicit representation, NeRV output the whole image and shows great efficiency compared to pixel-wise implicit representation, improving the encoding speed by 25x to 70x, the decoding speed by 38x to 132x, while achieving better video quality. With such a representation, we can treat videos as neural networks, simplifying several video-related tasks. For example, conventional video compression methods are restricted by a long and complex pipeline, specifically designed for the task. In contrast, with NeRV, we can use any neural network compression method as a proxy for video compression, and achieve comparable performance to traditional frame-based video compression approaches (H.264, HEVC \etc). Besides compression, we demonstrate the generalization of NeRV for video denoising. The source code and pre-trained model can be found at https://github.com/haochen-rye/NeRV.git.
Surrogate Regret Bounds for Polyhedral Losses
Venue: Conference NeurIPS 2021
Year: 2021

Surrogate risk minimization is an ubiquitous paradigm in supervised machine learning, wherein a target problem is solved by minimizing a surrogate loss on a dataset. Surrogate regret bounds, also called excess risk bounds, are a common tool to prove generalization rates for surrogate risk minimization. While surrogate regret bounds have been developed for certain classes of loss functions, such as proper losses, general results are relatively sparse. We provide two general results. The first gives a linear surrogate regret bound for any polyhedral (piecewise-linear and convex) surrogate, meaning that surrogate generalization rates translate directly to target rates. The second shows that for sufficiently non-polyhedral surrogates, the regret bound is a square root, meaning fast surrogate generalization rates translate to slow rates for the target. Together, these results suggest polyhedral surrogates are optimal in many cases.
Last iterate convergence of SGD for Least-Squares in the Interpolation regime.
Venue: Conference NeurIPS 2021
Year: 2021

Motivated by the recent successes of neural networks that have the ability to fit the data perfectly and generalize well, we study the noiseless model in the fundamental least-squares setup. We assume that an optimum predictor fits perfectly inputs and outputs $\langle θ_* , ϕ(X) \rangle = Y$, where $ϕ(X)$ stands for a possibly infinite dimensional non-linear feature map. To solve this problem, we consider the estimator given by the last iterate of stochastic gradient descent (SGD) with constant step-size. In this context, our contribution is two fold: (i) from a (stochastic) optimization perspective, we exhibit an archetypal problem where we can show explicitly the convergence of SGD final iterate for a non-strongly convex problem with constant step-size whereas usual results use some form of average and (ii) from a statistical perspective, we give explicit non-asymptotic convergence rates in the over-parameterized setting and leverage a fine-grained parameterization of the problem to exhibit polynomial rates that can be faster than $O(1/T)$. The link with reproducing kernel Hilbert spaces is established.
Model, sample, and epoch-wise descents: exact solution of gradient flow in the random feature model
Venue: Conference NeurIPS 2021
Year: 2021

Recent evidence has shown the existence of a so-called double-descent and even triple-descent behavior for the generalization error of deep-learning models. This important phenomenon commonly appears in implemented neural network architectures, and also seems to emerge in epoch-wise curves during the training process. A recent line of research has highlighted that random matrix tools can be used to obtain precise analytical asymptotics of the generalization (and training) errors of the random feature model. In this contribution, we analyze the whole temporal behavior of the generalization and training errors under gradient flow for the random feature model. We show that in the asymptotic limit of large system size the full time-evolution path of both errors can be calculated analytically. This allows us to observe how the double and triple descents develop over time, if and when early stopping is an option, and also observe time-wise descent structures. Our techniques are based on Cauchy complex integral representations of the errors together with recent random matrix methods based on linear pencils.
Rethinking Graph Transformers with Spectral Attention
Venue: Conference NeurIPS 2021
Year: 2021

In recent years, the Transformer architecture has proven to be very successful in sequence processing, but its application to other data structures, such as graphs, has remained limited due to the difficulty of properly defining positions. Here, we present the $\textit{Spectral Attention Network}$ (SAN), which uses a learned positional encoding (LPE) that can take advantage of the full Laplacian spectrum to learn the position of each node in a given graph. This LPE is then added to the node features of the graph and passed to a fully-connected Transformer. By leveraging the full spectrum of the Laplacian, our model is theoretically powerful in distinguishing graphs, and can better detect similar sub-structures from their resonance. Further, by fully connecting the graph, the Transformer does not suffer from over-squashing, an information bottleneck of most GNNs, and enables better modeling of physical phenomenons such as heat transfer and electric interaction. When tested empirically on a set of 4 standard datasets, our model performs on par or better than state-of-the-art GNNs, and outperforms any attention-based model by a wide margin, becoming the first fully-connected architecture to perform well on graph benchmarks.
Perceptual Score: What Data Modalities Does Your Model Perceive?
Venue: Conference NeurIPS 2021
Year: 2021

Machine learning advances in the last decade have relied significantly on large-scale datasets that continue to grow in size. Increasingly, those datasets also contain different data modalities. However, large multi-modal datasets are hard to annotate, and annotations may contain biases that we are often unaware of. Deep-net-based classifiers, in turn, are prone to exploit those biases and to find shortcuts. To study and quantify this concern, we introduce the perceptual score, a metric that assesses the degree to which a model relies on the different subsets of the input features, i.e., modalities. Using the perceptual score, we find a surprisingly consistent trend across four popular datasets: recent, more accurate state-of-the-art multi-modal models for visual question-answering or visual dialog tend to perceive the visual data less than their predecessors. This trend is concerning as answers are hence increasingly inferred from textual cues only. Using the perceptual score also helps to analyze model biases by decomposing the score into data subset contributions. We hope to spur a discussion on the perceptiveness of multi-modal models and also hope to encourage the community working on multi-modal classifiers to start quantifying perceptiveness via the proposed perceptual score.
PiRank: Scalable Learning To Rank via Differentiable Sorting
Venue: Conference NeurIPS 2021
Year: 2021

A key challenge with machine learning approaches for ranking is the gap between the performance metrics of interest and the surrogate loss functions that can be optimized with gradient-based methods. This gap arises because ranking metrics typically involve a sorting operation which is not differentiable w.r.t. the model parameters. Prior works have proposed surrogates that are loosely related to ranking metrics or simple smoothed versions thereof, and often fail to scale to real-world applications. We propose PiRank, a new class of differentiable surrogates for ranking, which employ a continuous, temperature-controlled relaxation to the sorting operator based on NeuralSort [1]. We show that PiRank exactly recovers the desired metrics in the limit of zero temperature and further propose a divide and-conquer extension that scales favorably to large list sizes, both in theory and practice. Empirically, we demonstrate the role of larger list sizes during training and show that PiRank significantly improves over comparable approaches on publicly available internet-scale learning-to-rank benchmarks.
Deceive D: Adaptive Pseudo Augmentation for GAN Training with Limited Data
Venue: Conference NeurIPS 2021
Year: 2021

Generative adversarial networks (GANs) typically require ample data for training in order to synthesize high-fidelity images. Recent studies have shown that training GANs with limited data remains formidable due to discriminator overfitting, the underlying cause that impedes the generator's convergence. This paper introduces a novel strategy called Adaptive Pseudo Augmentation (APA) to encourage healthy competition between the generator and the discriminator. As an alternative method to existing approaches that rely on standard data augmentations or model regularization, APA alleviates overfitting by employing the generator itself to augment the real data distribution with generated images, which deceives the discriminator adaptively. Extensive experiments demonstrate the effectiveness of APA in improving synthesis quality in the low-data regime. We provide a theoretical analysis to examine the convergence and rationality of our new training strategy. APA is simple and effective. It can be added seamlessly to powerful contemporary GANs, such as StyleGAN2, with negligible computational cost.
Hierarchical Reinforcement Learning with Timed Subgoals
Venue: Conference NeurIPS 2021
Year: 2021

Hierarchical reinforcement learning (HRL) holds great potential for sample-efficient learning on challenging long-horizon tasks. In particular, letting a higher level assign subgoals to a lower level has been shown to enable fast learning on difficult problems. However, such subgoal-based methods have been designed with static reinforcement learning environments in mind and consequently struggle with dynamic elements beyond the immediate control of the agent even though they are ubiquitous in real-world problems. In this paper, we introduce Hierarchical reinforcement learning with Timed Subgoals (HiTS), an HRL algorithm that enables the agent to adapt its timing to a dynamic environment by not only specifying what goal state is to be reached but also when. We discuss how communicating with a lower level in terms of such timed subgoals results in a more stable learning problem for the higher level. Our experiments on a range of standard benchmarks and three new challenging dynamic reinforcement learning environments show that our method is capable of sample-efficient learning where an existing state-of-the-art subgoal-based HRL method fails to learn stable solutions.
Stateful ODE-Nets using Basis Function Expansions
Venue: Conference NeurIPS 2021
Year: 2021

The recently-introduced class of ordinary differential equation networks (ODE-Nets) establishes a fruitful connection between deep learning and dynamical systems. In this work, we reconsider formulations of the weights as continuous-in-depth functions using linear combinations of basis functions which enables us to leverage parameter transformations such as function projections. In turn, this view allows us to formulate a novel stateful ODE-Block that handles stateful layers. The benefits of this new ODE-Block are twofold: first, it enables incorporating meaningful continuous-in-depth batch normalization layers to achieve state-of-the-art performance; second, it enables compressing the weights through a change of basis, without retraining, while maintaining near state-of-the-art performance and reducing both inference time and memory footprint. Performance is demonstrated by applying our stateful ODE-Block to (a) image classification tasks using convolutional units and (b) sentence-tagging tasks using transformer encoder units.
Dirichlet Energy Constrained Learning for Deep Graph Neural Networks
Venue: Conference NeurIPS 2021
Year: 2021

Graph neural networks (GNNs) integrate deep architectures and topological structure modeling in an effective way. However, the performance of existing GNNs would decrease significantly when they stack many layers, because of the over-smoothing issue. Node embeddings tend to converge to similar vectors when GNNs keep recursively aggregating the representations of neighbors. To enable deep GNNs, several methods have been explored recently. But they are developed from either techniques in convolutional neural networks or heuristic strategies. There is no generalizable and theoretical principle to guide the design of deep GNNs. To this end, we analyze the bottleneck of deep GNNs by leveraging the Dirichlet energy of node embeddings, and propose a generalizable principle to guide the training of deep GNNs. Based on it, a novel deep GNN framework -- EGNN is designed. It could provide lower and upper constraints in terms of Dirichlet energy at each layer to avoid over-smoothing. Experimental results demonstrate that EGNN achieves state-of-the-art performance by using deep layers.
Accelerating Robotic Reinforcement Learning via Parameterized Action Primitives
Venue: Conference NeurIPS 2021
Year: 2021

Despite the potential of reinforcement learning (RL) for building general-purpose robotic systems, training RL agents to solve robotics tasks still remains challenging due to the difficulty of exploration in purely continuous action spaces. Addressing this problem is an active area of research with the majority of focus on improving RL methods via better optimization or more efficient exploration. An alternate but important component to consider improving is the interface of the RL algorithm with the robot. In this work, we manually specify a library of robot action primitives (RAPS), parameterized with arguments that are learned by an RL policy. These parameterized primitives are expressive, simple to implement, enable efficient exploration and can be transferred across robots, tasks and environments. We perform a thorough empirical study across challenging tasks in three distinct domains with image input and a sparse terminal reward. We find that our simple change to the action interface substantially improves both the learning efficiency and task performance irrespective of the underlying RL algorithm, significantly outperforming prior methods which learn skills from offline expert data. Code and videos at https://mihdalal.github.io/raps/
Widening the Pipeline in Human-Guided Reinforcement Learning with Explanation and Context-Aware Data Augmentation
Venue: Conference NeurIPS 2021
Year: 2021

Human explanation (e.g., in terms of feature importance) has been recently used to extend the communication channel between human and agent in interactive machine learning. Under this setting, human trainers provide not only the ground truth but also some form of explanation. However, this kind of human guidance was only investigated in supervised learning tasks, and it remains unclear how to best incorporate this type of human knowledge into deep reinforcement learning. In this paper, we present the first study of using human visual explanations in human-in-the-loop reinforcement learning (HRL). We focus on the task of learning from feedback, in which the human trainer not only gives binary evaluative "good" or "bad" feedback for queried state-action pairs, but also provides a visual explanation by annotating relevant features in images. We propose EXPAND (EXPlanation AugmeNted feeDback) to encourage the model to encode task-relevant features through a context-aware data augmentation that only perturbs irrelevant features in human salient information. We choose five tasks, namely Pixel-Taxi and four Atari games, to evaluate the performance and sample efficiency of this approach. We show that our method significantly outperforms methods leveraging human explanation that are adapted from supervised learning, and Human-in-the-loop RL baselines that only utilize evaluative feedback.
SOLQ: Segmenting Objects by Learning Queries
Venue: Conference NeurIPS 2021
Year: 2021

In this paper, we propose an end-to-end framework for instance segmentation. Based on the recently introduced DETR [1], our method, termed SOLQ, segments objects by learning unified queries. In SOLQ, each query represents one object and has multiple representations: class, location and mask. The object queries learned perform classification, box regression and mask encoding simultaneously in an unified vector form. During training phase, the mask vectors encoded are supervised by the compression coding of raw spatial masks. In inference time, mask vectors produced can be directly transformed to spatial masks by the inverse process of compression coding. Experimental results show that SOLQ can achieve state-of-the-art performance, surpassing most of existing approaches. Moreover, the joint learning of unified query representation can greatly improve the detection performance of DETR. We hope our SOLQ can serve as a strong baseline for the Transformer-based instance segmentation. Code is available at https://github.com/megvii-research/SOLQ.