ICLR 2022 论文列表

Dynamical phenomena, such as recurrent neuronal activity and perpetual motion of the eye, are typically overlooked in models of bottom-up visual perception. Recent experiments suggest that tiny inter-saccadic eye motion ("fixational drift") enhances visual acuity beyond the limit imposed by the density of retinal photoreceptors. Here we hypothesize that such an enhancement is enabled by recurrent neuronal computations in early visual areas. Specifically, we explore a setting involving a low-resolution dynamical sensor that moves with respect to a static scene, with drift-like tiny steps. This setting mimics a dynamical eye viewing objects in perceptually-challenging conditions. The dynamical sensory input is classified by a convolutional neural network with recurrent connectivity added to its lower layers, in analogy to recurrent connectivity in early visual areas. Applying our system to CIFAR-10 and CIFAR-100 datasets down-sampled via 8x8 sensor, we found that (i) classification accuracy, which is drastically reduced by this down-sampling, is mostly restored to its 32x32 baseline level when using a moving sensor and recurrent connectivity, (ii) in this setting, neurons in the early layers exhibit a wide repertoire of selectivity patterns, spanning the spatiotemporal selectivity space, with neurons preferring different combinations of spatial and temporal patterning, and (iii) curved sensor's trajectories improve visual acuity compared to straight trajectories, echoing recent experimental findings involving eye-tracking in challenging conditions. Our work sheds light on the possible role of recurrent connectivity in early vision as well as the roles of fixational drift and temporal-frequency selective cells in the visual system. It also proposes a solution for artificial image recognition in settings with limited resolution and multiple time samples, such as in edge AI applications.

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological information of a graph using persistent homology. TOGL can be easily integrated into any type of GNN and is strictly more expressive (in terms the Weisfeiler–Lehman graph isomorphism test) than message-passing GNNs. Augmenting GNNs with TOGL leads to improved predictive performance for graph and node classification tasks, both on synthetic data sets, which can be classified by humans using their topology but not by ordinary GNNs, and on real-world data.

This work develops a novel framework for communication-efficient distributed learning where the models to be learned are overparameterized. We focus on a class of kernel learning problems (which includes the popular neural tangent kernel (NTK) learning as a special case) and propose a novel {\it multi-agent kernel approximation} technique that allows the agents to distributedly estimate the full kernel function, and subsequently perform decentralized optimization, without directly exchanging any local data or parameters. The proposed framework is a significant departure from the classical consensus-based approaches, because the agents do not exchange problem parameters, and no consensus is required. We analyze the optimization and the generalization performance of the proposed framework for the $\ell_2$ loss. We show that with $M$ agents and $N$ total samples when certain generalized inner-product kernels (resp. the random features kernel) are used, each agent needs to communicate $\mathcal{O}\big({N^2}/{M}\big)$ bits (resp. $\mathcal{O}\big(N \sqrt{N}/M \big)$ real values) to achieve minimax optimal generalization performance. We validate the theoretical results on 90 UCI benchmarking datasets (with average data size $N \approx 1000$) and show that each agent needs to share a total of $200N/M$ bits (resp. $3N/M$ real values) to closely match the performance of the centralized algorithms, and these numbers are independent of parameter and feature dimensions.

In this work we theoretically contribute to neural network approximation by providing a novel tropical geometrical viewpoint to structured neural network compression. In particular, we show that the approximation error between two neural networks with ReLU activations and one hidden layer depends on the Hausdorff distance of the tropical zonotopes of the networks. This theorem comes as a first step towards a purely geometrical interpretation of neural network approximation. Based on this theoretical contribution, we propose geometrical methods that employ the K-means algorithm to compress the fully connected parts of ReLU activated deep neural networks. We analyze the error bounds of our algorithms theoretically based on our approximation theorem and evaluate them empirically on neural network compression. Our experiments follow a proof-of-concept strategy and indicate that our geometrical tools achieve improved performance over relevant tropical geometry techniques and can be competitive against non-tropical methods.

Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to extract structural features from the graph. In this work, we propose to make GNNs universal by guiding the learning process with exact isomorphism solver techniques which operate on the paradigm of $\textit{Individualization and refinement}$ (IR), a method to artificially introduce asymmetry and further refine the coloring when 1-WL stops. Isomorphism solvers generate a search-tree of colorings whose leaves uniquely identify the graph. However, the tree grows exponentially large and needs hand-crafted pruning techniques which are not desirable from a learning perspective. We take a probabilistic view and approximate the search tree of colorings ( i.e. embeddings) by sampling multiple paths from root to leaves of the search-tree. To learn more discriminative representations, we guide the sampling process with $\textit{particle filter}$ updates, a principled approach for sequential state estimation. Our algorithm is end-to-end differentiable, can be applied with any GNN as backbone and learns richer graph representations with only linear increase in runtime. Experimental evaluation shows that our approach consistently outperforms leading GNN models on both synthetic benchmarks for isomorphism detection as well as real-world datasets.

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a \emph{threshold} on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (\textsc{Wilds}-FMoW, ImageNet, \breeds, CIFAR, and MNIST). In our experiments, ATC estimates target performance $2\text{--}4\times$ more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works.

This paper follows up on a recent work of Neu et al. (2021) and presents some new information-theoretic upper bounds for the generalization error of machine learning models, such as neural networks, trained with SGD. We apply these bounds to analyzing the generalization behaviour of linear and two-layer ReLU networks. Experimental study of these bounds provide some insights on the SGD training of neural networks. They also point to a new and simple regularization scheme which we show performs comparably to the current state of the art.

Self-supervised learning (SSL) is capable of learning remarkable representations from centrally available data. Recent works further implement federated learning with SSL to learn from rapidly growing decentralized unlabeled images (e.g., from cameras and phones), often resulted from privacy constraints. Extensive attention has been paid to SSL approaches based on Siamese networks. However, such an effort has not yet revealed deep insights into various fundamental building blocks for the federated self-supervised learning (FedSSL) architecture. We aim to fill in this gap via in-depth empirical study and propose a new method to tackle the non-independently and identically distributed (non-IID) data problem of decentralized data. Firstly, we introduce a generalized FedSSL framework that embraces existing SSL methods based on Siamese networks and presents flexibility catering to future methods. In this framework, a server coordinates multiple clients to conduct SSL training and periodically updates local models of clients with the aggregated global model. Using the framework, our study uncovers unique insights of FedSSL: 1) stop-gradient operation, previously reported to be essential, is not always necessary in FedSSL; 2) retaining local knowledge of clients in FedSSL is particularly beneficial for non-IID data. Inspired by the insights, we then propose a new approach for model update, Federated Divergence-aware Exponential Moving Average update (FedEMA). FedEMA updates local models of clients adaptively using EMA of the global model, where the decay rate is dynamically measured by model divergence. Extensive experiments demonstrate that FedEMA outperforms existing methods by 3-4% on linear evaluation. We hope that this work will provide useful insights for future research.

Due to numerous breakthroughs in real-world applications brought by machine intelligence, deep neural networks (DNNs) are widely employed in critical applications. However, predictions of DNNs are easily manipulated with imperceptible adversarial perturbations, which impedes the further deployment of DNNs and may result in profound security and privacy implications. By incorporating adversarial samples into the training data pool, adversarial training is the strongest principled strategy against various adversarial attacks among all sorts of defense methods. Recent works mainly focus on developing new loss functions or regularizers, attempting to find the unique optimal point in the weight space. But none of them taps the potentials of classifiers obtained from standard adversarial training, especially states on the searching trajectory of training. In this work, we are dedicated to the weight states of models through the training process and devise a simple but powerful \emph{Self-Ensemble Adversarial Training} (SEAT) method for yielding a robust classifier by averaging weights of history models. This considerably improves the robustness of the target model against several well known adversarial attacks, even merely utilizing the naive cross-entropy loss to supervise. We also discuss the relationship between the ensemble of predictions from different adversarially trained models and the prediction of weight-ensembled models, as well as provide theoretical and empirical evidence that the proposed self-ensemble method provides a smoother loss landscape and better robustness than both individual models and the ensemble of predictions from different classifiers. We further analyze a subtle but fatal issue in the general settings for the self-ensemble model, which causes the deterioration of the weight-ensembled method in the late phases.

We present in this paper a novel query formulation using dynamic anchor boxes for DETR (DEtection TRansformer) and offer a deeper understanding of the role of queries in DETR. This new formulation directly uses box coordinates as queries in Transformer decoders and dynamically updates them layer by layer. Using box coordinates not only helps using explicit positional priors to improve the query-to-feature similarity and eliminate the slow training convergence issue in DETR, but also allows us to modulate the positional attention map using the box width and height information. Such a design makes it clear that queries in DETR can be implemented as performing soft ROI pooling layer by layer in a cascade manner. As a result, it leads to the best performance on the MS-COCO benchmark among the DETR-like detection models under the same setting, e.g., AP 45.7\% using ResNet50-DC5 as backbone trained in 50 epochs. We also conducted extensive experiments to confirm our analysis and verify the effectiveness of our methods. Code is available at \url{https://github.com/IDEA-opensource/DAB-DETR}.

The ability to perceive scenes in terms of abstract entities is crucial for us to achieve higher-level intelligence. Recently, several methods have been proposed to learn object-centric representations of scenes with multiple objects, yet most of which focus on static scenes. In this paper, we work on object dynamics and propose Object Dynamics Distillation Network (ODDN), a framework that distillates explicit object dynamics (e.g., velocity) from sequential static representations. ODDN also builds a relation module to model object interactions. We verify our approach on tasks of video reasoning and video prediction, which are two important evaluations for video understanding. The results show that the reasoning model with visual representations of ODDN performs better in answering reasoning questions around physical events in a video compared to the previous state-of-the-art methods. The distilled object dynamics also could be used to predict future video frames given two input frames, involving occlusion and objects collision. In addition, our architecture brings better segmentation quality and higher reconstruction accuracy.

Implicit neural representations with multi-layer perceptrons (MLPs) have recently gained prominence for a wide variety of tasks such as novel view synthesis and 3D object representation and rendering. However, a significant challenge with these representations is that both training and inference with an MLP over a large number of input coordinates to learn and represent an image, video, or 3D object, require large amounts of computation and incur long processing times. In this work, we aim to accelerate inference and training of coordinate-based MLPs for implicit neural representations by proposing a new split MLP architecture, CoordX. With CoordX, the initial layers are split to learn each dimension of the input coordinates separately. The intermediate features are then fused by the last layers to generate the learned signal at the corresponding coordinate point. This significantly reduces the amount of computation required and leads to large speedups in training and inference, while achieving similar accuracy as the baseline MLP. This approach thus aims at first learning functions that are a decomposition of the original signal and then fusing them to generate the learned signal. Our proposed architecture can be generally used for many implicit neural representation tasks with no additional memory overheads. We demonstrate a speedup of up to 2.92x compared to the baseline model for image, video, and 3D shape representation and rendering tasks.

Training visual control policies from scratch on a new robot typically requires generating large amounts of robot-specific data. How might we leverage data previously collected on another robot to reduce or even completely remove this need for robot-specific data? We propose a "robot-aware control" paradigm that achieves this by exploiting readily available knowledge about the robot. We then instantiate this in a robot-aware model-based RL policy by training modular dynamics models that couple a transferable, robot-aware world dynamics module with a robot-specific, potentially analytical, robot dynamics module. This also enables us to set up visual planning costs that separately consider the robot agent and the world. Our experiments on tabletop manipulation tasks with simulated and real robots demonstrate that these plug-in improvements dramatically boost the transferability of visual model-based RL policies, even permitting zero-shot transfer of visual manipulation skills onto new robots. Project website: https://www.seas.upenn.edu/~hued/rac

As increasingly complex AI systems are introduced into our daily lives, it becomes important for such systems to be capable of explaining the rationale for their decisions and allowing users to contest these decisions. A significant hurdle to allowing for such explanatory dialogue could be the {\em vocabulary mismatch} between the user and the AI system. This paper introduces methods for providing contrastive explanations in terms of user-specified concepts for sequential decision-making settings where the system's model of the task may be best represented as an inscrutable model. We do this by building partial symbolic models of a local approximation of the task that can be leveraged to answer the user queries. We test these methods on a popular Atari game (Montezuma's Revenge) and variants of Sokoban (a well-known planning benchmark) and report the results of user studies to evaluate whether people find explanations generated in this form useful.

We explain why directly changing the prior can be a surprisingly ineffective mechanism for incorporating inductive biases into variational auto-encoders (VAEs), and introduce a simple and effective alternative approach: Intermediary Latent Space VAEs (InteL-VAEs). InteL-VAEs use an intermediary set of latent variables to control the stochasticity of the encoding process, before mapping these in turn to the latent representation using a parametric function that encapsulates our desired inductive bias(es). This allows us to impose properties like sparsity or clustering on learned representations, and incorporate human knowledge into the generative model. Whereas changing the prior only indirectly encourages behavior through regularizing the encoder, InteL-VAEs are able to directly enforce desired characteristics. Moreover, they bypass the computation and encoder design issues caused by non-Gaussian priors, while allowing for additional flexibility through training of the parametric mapping function. We show that these advantages, in turn, lead to both better generative models and better representations being learned.

Boundaries or contours are among the primary visual cues used by human and computer vision systems. One of the key problems in boundary detection is the loss formulation, which typically leads to class imbalance and, as a consequence, to thick boundaries which require non-differential post-processing steps to be thinned. In this paper, we re-interpret boundaries as 1-D surfaces and formulate a one-to-one vector transform function that allows for training of boundary prediction completely avoiding the class imbalance issue. Specifically, we define the boundary representation at any point as the unit vector pointing to the closest boundary surface. Our problem formulation leads to the estimation of direction as well as richer contextual information of the boundary, and, if desired, the availability of zero-pixel thin boundaries also at training time. Our method uses no hyper-parameter in the training loss and a fixed stable hyper-parameter at inference. We provide theoretical justification/discussions of the vector transform representation. We evaluate the proposed loss method using a standard architecture and show the excellent performance over other losses and representations on several datasets.

In every communication round of federated learning, a random subset of clients communicate their model updates back to the server which then aggregates them all. The optimal size of this subset is not known and several studies have shown that typically random selection does not perform very well in terms of convergence, learning efficiency and fairness. We, in this paper, propose to select a small diverse subset of clients, namely those carrying representative gradient information, and we transmit only these updates to the server. Our aim is for updating via only a subset to approximate updating via aggregating all client information. We achieve this by choosing a subset that maximizes a submodular facility location function defined over gradient space. We introduce “federated averaging with diverse client selection (DivFL)”. We provide a thorough analysis of its convergence in the heterogeneous setting and apply it both to synthetic and to real datasets. Empirical results show several benefits to our approach including improved learning efficiency, faster convergence and also more uniform (i.e., fair) performance across clients. We further show a communication-efficient version of DivFL that can still outperform baselines on the above metrics.

Despite rapid advances in continual learning, a large body of research is devoted to improving performance in the existing setups. While a handful of work do propose new continual learning setups, they still lack practicality in certain aspects. For better practicality, we first propose a novel continual learning setup that is online, task-free, class-incremental, of blurry task boundaries and subject to inference queries at any moment. We additionally propose a new metric to better measure the performance of the continual learning methods subject to inference queries at any moment. To address the challenging setup and evaluation protocol, we propose an effective method that employs a new memory management scheme and novel learning techniques. Our empirical validation demonstrates that the proposed method outperforms prior arts by large margins. Code and data splits are available at https://github.com/naver-ai/i-Blurry.

Counterfactual explanations are attracting significant attention due to the flourishing applications of machine learning models in consequential domains. A counterfactual plan consists of multiple possibilities to modify a given instance so that the model's prediction will be altered. As the predictive model can be updated subject to the future arrival of new data, a counterfactual plan may become ineffective or infeasible, with respect to the future values of the model parameters. In this work, we study the counterfactual plans under model uncertainty, in which the distribution of the model parameters is partially prescribed using only the first- and second-moment information. First, we propose an uncertainty quantification tool to compute the lower and upper bounds of the probability of feasibility for any given counterfactual plan. We then provide corrective methods to adjust the counterfactual plan to improve the feasibility measure. The numerical experiments validate our bounds and demonstrate that our correction increases the robustness of the counterfactual plans in different real-world datasets.