NeurIPS 2020 Papers

Advances in the development of adversarial attacks have been fundamental to the progress of adversarial defense research. Efficient and effective attacks are crucial for reliable evaluation of defenses, and also for developing robust models. Adversarial attacks are often generated by maximizing standard losses such as the cross-entropy loss or maximum-margin loss within a constraint set using Projected Gradient Descent (PGD). In this work, we introduce a relaxation term to the standard loss, that finds more suitable gradient-directions, increases attack efficacy and leads to more efficient adversarial training. We propose Guided Adversarial Margin Attack (GAMA), which utilizes function mapping of the clean image to guide the generation of adversaries, thereby resulting in stronger attacks. We evaluate our attack against multiple defenses and show improved performance when compared to existing attacks. Further, we propose Guided Adversarial Training (GAT), which achieves state-of-the-art performance amongst single-step defenses by utilizing the proposed relaxation term for both attack generation and training.

The theory of discrete-time online learning has been successfully applied in many problems that involve sequential decision-making under uncertainty. However, in many applications including contractual hiring in online freelancing platforms and server allocation in cloud computing systems, the outcome of each action is observed only after a random and action-dependent time. Furthermore, as a consequence of certain ethical and economic concerns, the controller may impose deadlines on the completion of each task, and require fairness across different groups in the allocation of total time budget $B$. In order to address these applications, we consider continuous-time online learning problem with fairness considerations, and present a novel framework based on continuous-time utility maximization. We show that this formulation recovers reward-maximizing, max-min fair and proportionally fair allocation rules across different groups as special cases. We characterize the optimal offline policy, which allocates the total time between different actions in an optimally fair way (as defined by the utility function), and impose deadlines to maximize time-efficiency. In the absence of any statistical knowledge, we propose a novel online learning algorithm based on dual ascent optimization for time averages, and prove that it achieves $\tilde{O}(B^{-1/2})$ regret bound.

Scaling up the convolutional neural network (CNN) size (e.g., width, depth, etc.) is known to effectively improve model accuracy. However, the large model size impedes training on resource-constrained edge devices. For instance, federated learning (FL) may place undue burden on the compute capability of edge nodes, even though there is a strong practical need for FL due to its privacy and confidentiality properties. To address the resource-constrained reality of edge devices, we reformulate FL as a group knowledge transfer training algorithm, called FedGKT. FedGKT designs a variant of the alternating minimization approach to train small CNNs on edge nodes and periodically transfer their knowledge by knowledge distillation to a large server-side CNN. FedGKT consolidates several advantages into a single framework: reduced demand for edge computation, lower communication bandwidth for large CNNs, and asynchronous training, all while maintaining model accuracy comparable to FedAvg. We train CNNs designed based on ResNet-56 and ResNet-110 using three distinct datasets (CIFAR-10, CIFAR-100, and CINIC-10) and their non-IID variants. Our results show that FedGKT can obtain comparable or even slightly higher accuracy than FedAvg. More importantly, FedGKT makes edge training affordable. Compared to the edge training using FedAvg, FedGKT demands 9 to 17 times less computational power (FLOPs) on edge devices and requires 54 to 105 times fewer parameters in the edge CNN. Our source code is released at FedML (https://fedml.ai).

Global context is crucial for 3D point cloud scene understanding tasks. In this work, we extended the contextual encoding layer that was originally designed for 2D tasks to 3D Point Cloud scenarios. The encoding layer learns a set of code words in the feature space of the 3D point cloud to characterize the global semantic context, and then based on these code words, the method learns a global contextual descriptor to reweight the featuremaps accordingly. Moreover, compared to 2D scenarios, data sparsity becomes a major issue in 3D point cloud scenarios, and the performance of contextual encoding quickly saturates when the number of code words increases. To mitigate this problem, we further proposed a group contextual encoding method, which divides the channel into groups and then performs encoding on group-divided feature vectors. This method facilitates learning of global context in grouped subspace for 3D point clouds. We evaluate the effectiveness and generalizability of our method on three widely-studied 3D point cloud tasks. Experimental results have shown that the proposed method outperformed the VoteNet remarkably with 3 mAP on the benchmark of SUN-RGBD, with the metrics of mAP@ 0.25, and a much greater margin of 6.57 mAP on ScanNet with the metrics of mAP@ 0.5. Compared to the baseline of PointNet++, the proposed method leads to an accuracy of 86 %, outperforming the baseline by 1.5 %. Our proposed method have outperformed the non-grouping baseline methods across the board and establishes new state-of-the-art on these benchmarks.

Modern deep neural networks(DNNs) are vulnerable to adversarial samples. Sparse adversarial samples are a special branch of adversarial samples that can fool the target model by only perturbing a few pixels. The existence of the sparse adversarial attack points out that DNNs are much more vulnerable than people believed, which is also a new aspect for analyzing DNNs. However, current sparse adversarial attack methods still have some shortcomings on both sparsity and invisibility. In this paper, we propose a novel two-stage distortion-aware greedy-based method dubbed as ''GreedyFool". Specifically, it first selects the most effective candidate positions to modify by considering both the gradient(for adversary) and the distortion map(for invisibility), then drops some less important points in the reduce stage. Experiments demonstrate that compared with the start-of-the-art method, we only need to modify 3 times fewer pixels under the same sparse perturbation setting. For target attack, the success rate of our method is 9.96% higher than the start-of-the-art method under the same pixel budget.

We propose a framework for solving high-dimensional Bayesian inference problems using \emph{structure-exploiting} low-dimensional transport maps or flows. These maps are confined to a low-dimensional subspace (hence, lazy), and the subspace is identified by minimizing an upper bound on the Kullback--Leibler divergence (hence, structured). Our framework provides a principled way of identifying and exploiting low-dimensional structure in an inference problem. It focuses the expressiveness of a transport map along the directions of most significant discrepancy from the posterior, and can be used to build deep compositions of lazy maps, where low-dimensional projections of the parameters are iteratively transformed to match the posterior. We prove weak convergence of the generated sequence of distributions to the posterior, and we demonstrate the benefits of the framework on challenging inference problems in machine learning and differential equations, using inverse autoregressive flows and polynomial maps as examples of the underlying density estimators.

Despite the great success of deep learning, recent works show that large deep neural networks are often highly redundant and can be significantly reduced in size. However, the theoretical question of how much we can prune a neural network given a specified tolerance of accuracy drop is still open. This paper provides one answer to this question by proposing a greedy optimization based pruning method. The proposed method has the guarantee that the discrepancy between the pruned network and the original network decays with exponentially fast rate w.r.t. the size of the pruned network, under weak assumptions that apply for most practical settings. Empirically, our method improves prior arts on pruning various network architectures including ResNet, MobilenetV2/V3 on ImageNet.

Learning robotic grasps from visual observations is a promising yet challenging task. Recent research shows its great potential by preparing and learning from large-scale synthetic datasets. For the popular, 6 degree-of-freedom (6-DOF) grasp setting of parallel-jaw gripper, most of existing methods take the strategy of heuristically sampling grasp candidates and then evaluating them using learned scoring functions. This strategy is limited in terms of the conflict between sampling efficiency and coverage of optimal grasps. To this end, we propose in this work a novel, end-to-end \emph{Grasp Proposal Network (GPNet)}, to predict a diverse set of 6-DOF grasps for an unseen object observed from a single and unknown camera view. GPNet builds on a key design of grasp proposal module that defines \emph{anchors of grasp centers} at discrete but regular 3D grid corners, which is flexible to support either more precise or more diverse grasp predictions. To test GPNet, we contribute a synthetic dataset of 6-DOF object grasps; evaluation is conducted using rule-based criteria, simulation test, and real test. Comparative results show the advantage of our methods over existing ones. Notably, GPNet gains better simulation results via the specified coverage, which helps achieve a ready translation in real test. Our code and dataset are available on \url{https://github.com/CZ-Wu/GPNet}.

Graph neural networks (GNNs) rely on graph convolutions to extract local features from network data. These graph convolutions combine information from adjacent nodes using coefficients that are shared across all nodes. Since these coefficients are shared and do not depend on the graph, one can envision using the same coefficients to define a GNN on another graph. This motivates analyzing the transferability of GNNs across graphs. In this paper we introduce graphon NNs as limit objects of GNNs and prove a bound on the difference between the output of a GNN and its limit graphon-NN. This bound vanishes with growing number of nodes if the graph convolutional filters are bandlimited in the graph spectral domain. This result establishes a tradeoff between discriminability and transferability of GNNs.

Graph Neural Networks (GNNs) have achieved remarkable performance in the task of the semi-supervised node classification. However, most existing models learn a deterministic classification function, which lack sufficient flexibility to explore better choices in the presence of kinds of imperfect observed data such as the scarce labeled nodes and noisy graph structure. To improve the rigidness and inflexibility of deterministic classification functions, this paper proposes a novel framework named Graph Stochastic Neural Networks (GSNN), which aims to model the uncertainty of the classification function by simultaneously learning a family of functions, i.e., a stochastic function. Specifically, we introduce a learnable graph neural network coupled with a high-dimensional latent variable to model the distribution of the classification function, and further adopt the amortised variational inference to approximate the intractable joint posterior for missing labels and the latent variable. By maximizing the lower-bound of the likelihood for observed node labels, the instantiated models can be trained in an end-to-end manner effectively. Extensive experiments on three real-world datasets show that GSNN achieves substantial performance gain in different scenarios compared with stat-of-the-art baselines.

We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and weak-generalization when labeled nodes are scarce. In this paper, we propose a simple yet effective framework—GRAPH RANDOM NEURAL NETWORKS (GRAND)—to address these issues. In GRAND, we first design a random propagation strategy to perform graph data augmentation. Then we leverage consistency regularization to optimize the prediction consistency of unlabeled nodes across different data augmentations. Extensive experiments on graph benchmark datasets suggest that GRAND significantly outperforms state-of- the-art GNN baselines on semi-supervised node classification. Finally, we show that GRAND mitigates the issues of over-smoothing and non-robustness, exhibiting better generalization behavior than existing GNNs. The source code of GRAND is publicly available at https://github.com/Grand20/grand.

Graph neural networks (GNNs) have been attracting increasing popularity due to their simplicity and effectiveness in a variety of fields. However, a large number of labeled data is generally required to train these networks, which could be very expensive to obtain in some domains. In this paper, we study active learning for GNNs, i.e., how to efficiently label the nodes on a graph to reduce the annotation cost of training GNNs. We formulate the problem as a sequential decision process on graphs and train a GNN-based policy network with reinforcement learning to learn the optimal query strategy. By jointly training on several source graphs with full labels, we learn a transferable active learning policy which can directly generalize to unlabeled target graphs. Experimental results on multiple datasets from different domains prove the effectiveness of the learned policy in promoting active learning performance in both settings of transferring between graphs in the same domain and across different domains.

Prevailing methods for graphs require abundant label and edge information for learning. When data for a new task are scarce, meta-learning can learn from prior experiences and form much-needed inductive biases for fast adaption to new tasks. Here, we introduce G-Meta, a novel meta-learning algorithm for graphs. G-Meta uses local subgraphs to transfer subgraph-specific information and learn transferable knowledge faster via meta gradients. G-Meta learns how to quickly adapt to a new task using only a handful of nodes or edges in the new task and does so by learning from data points in other graphs or related, albeit disjoint label sets. G-Meta is theoretically justified as we show that the evidence for a prediction can be found in the local subgraph surrounding the target node or edge. Experiments on seven datasets and nine baseline methods show that G-Meta outperforms existing methods by up to 16.3%. Unlike previous methods, G-Meta successfully learns in challenging, few-shot learning settings that require generalization to completely new graphs and never-before-seen labels. Finally, G-Meta scales to large graphs, which we demonstrate on a new Tree-of-Life dataset comprising of 1,840 graphs, a two-orders of magnitude increase in the number of graphs used in prior work.

Representation learning of graph-structured data is challenging because both graph structure and node features carry important information. Graph Neural Networks (GNNs) provide an expressive way to fuse information from network structure and node features. However, GNNs are prone to adversarial attacks. Here we introduce Graph Information Bottleneck (GIB), an information-theoretic principle that optimally balances expressiveness and robustness of the learned representation of graph-structured data. Inheriting from the general Information Bottleneck (IB), GIB aims to learn the minimal sufficient representation for a given task by maximizing the mutual information between the representation and the target, and simultaneously constraining the mutual information between the representation and the input data. Different from the general IB, GIB regularizes the structural as well as the feature information. We design two sampling algorithms for structural regularization and instantiate the GIB principle with two new models: GIB-Cat and GIB-Bern, and demonstrate the benefits by evaluating the resilience to adversarial attacks. We show that our proposed models are more robust than state-of-the-art graph defense models. GIB-based models empirically achieve up to 31% improvement with adversarial perturbation of the graph structure as well as node features.

While numerous approaches have been developed to embed graphs into either Euclidean or hyperbolic spaces, they do not fully utilize the information available in graphs, or lack the flexibility to model intrinsic complex graph geometry. To utilize the strength of both Euclidean and hyperbolic geometries, we develop a novel Geometry Interaction Learning (GIL) method for graphs, a well-suited and efficient alternative for learning abundant geometric properties in graph. GIL captures a more informative internal structural features with low dimensions while maintaining conformal invariance of each space. Furthermore, our method endows each node the freedom to determine the importance of each geometry space via a flexible dual feature interaction learning and probability assembling mechanism. Promising experimental results are presented for five benchmark datasets on node classification and link prediction tasks.

We propose a novel graph cross network (GXN) to achieve comprehensive feature learning from multiple scales of a graph. Based on trainable hierarchical representations of a graph, GXN enables the interchange of intermediate features across scales to promote information flow. Two key ingredients of GXN include a novel vertex infomax pooling (VIPool), which creates multiscale graphs in a trainable manner, and a novel feature-crossing layer, enabling feature interchange across scales. The proposed VIPool selects the most informative subset of vertices based on the neural estimation of mutual information between vertex features and neighborhood features. The intuition behind is that a vertex is informative when it can maximally reflect its neighboring information. The proposed feature-crossing layer fuses intermediate features between two scales for mutual enhancement by improving information flow and enriching multiscale features at hidden layers. The cross shape of feature-crossing layer distinguishes GXN from many other multiscale architectures. Experimental results show that the proposed GXN improves the classification accuracy by 2.12% and 1.15% on average for graph classification and vertex classification, respectively. Based on the same network, the proposed VIPool consistently outperforms other graph-pooling methods.

Generalizable, transferrable, and robust representation learning on graph-structured data remains a challenge for current graph neural networks (GNNs). Unlike what has been developed for convolutional neural networks (CNNs) for image data, self-supervised learning and pre-training are less explored for GNNs. In this paper, we propose a graph contrastive learning (GraphCL) framework for learning unsupervised representations of graph data. We first design four types of graph augmentations to incorporate various priors. We then systematically study the impact of various combinations of graph augmentations on multiple datasets, in four different settings: semi-supervised, unsupervised, and transfer learning as well as adversarial attacks. The results show that, even without tuning augmentation extents nor using sophisticated GNN architectures, our GraphCL framework can produce graph representations of similar or better generalizability, transferrability, and robustness compared to state-of-the-art methods. We also investigate the impact of parameterized graph augmentation extents and patterns, and observe further performance gains in preliminary experiments. Our codes are available at https://github.com/Shen-Lab/GraphCL.

We present a novel texture synthesis framework, enabling the generation of infinite, high-quality 3D textures given a 2D exemplar image. Inspired by recent advances in natural texture synthesis, we train deep neural models to generate textures by non-linearly combining learned noise frequencies. To achieve a highly realistic output conditioned on an exemplar patch, we propose a novel loss function that combines ideas from both style transfer and generative adversarial networks. In particular, we train the synthesis network to match the Gram matrices of deep features from a discriminator network. In addition, we propose two architectural concepts and an extrapolation strategy that significantly improve generalization performance. In particular, we inject both model input and condition into hidden network layers by learning to scale and bias hidden activations. Quantitative and qualitative evaluations on a diverse set of exemplars motivate our design decisions and show that our system performs superior to previous state of the art. Finally, we conduct a user study that confirms the benefits of our framework.

This paper considers the setting of jointly matching and clustering multiple graphs belonging to different groups, which naturally rises in many realistic problems. Both graph matching and clustering are challenging (NP-hard) and a joint solution is appealing due to the natural connection of the two tasks. In this paper, we resort to a graduated assignment procedure for soft matching and clustering over iterations, whereby the two-way constraint and clustering confidence are modulated by two separate annealing parameters, respectively. Our technique can be further utilized for end-to-end learning whose loss refers to the cross-entropy between two lines of matching pipelines, as such the keypoint feature extraction CNNs can be learned without ground-truth supervision. Experimental results on real-world benchmarks show our method outperforms learning-free algorithms and performs comparatively against two-graph based supervised graph matching approaches.