arXiv subjects

Chuxu Zhang

Publications and source records attributed to Chuxu Zhang.

At least 73 records · Page 4Linked to original sources

arXiv2023

Multi-task Self-supervised Graph Neural Networks Enable Stronger Task Generalization

Self-supervised learning (SSL) for graph neural networks (GNNs) has attracted increasing attention from the graph machine learning community in recent years, owing to its capability to learn performant node embeddings without costly label information. One weakness of conventional SSL frameworks for GNNs is that they learn through a single philosophy, such as mutual information maximization or generative reconstruction. When applied to various downstream tasks, these frameworks rarely perform equally well for every task, because one philosophy may not span the extensive knowledge required for all tasks. To enhance the task generalization across tasks, as an important first step forward in exploring fundamental graph models, we introduce PARETOGNN, a multi-task SSL framework for node representation learning over graphs. Specifically, PARETOGNN is self-supervised by manifold pretext tasks observing multiple philosophies. To reconcile different philosophies, we explore a multiple-gradient descent algorithm, such that PARETOGNN actively learns from every pretext task while minimizing potential conflicts. We conduct comprehensive experiments over four downstream tasks (i.e., node classification, node clustering, link prediction, and partition prediction), and our proposal achieves the best overall performance across tasks on 11 widely adopted benchmark datasets. Besides, we observe that learning from multiple philosophies enhances not only the task generalization but also the single task performances, demonstrating that PARETOGNN achieves better task generalization via the disjoint yet complementary knowledge learned from different philosophies. Our code is publicly available at https://github.com/jumxglhf/ParetoGNN.

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arXiv2023

NOSMOG: Learning Noise-robust and Structure-aware MLPs on Graphs

While Graph Neural Networks (GNNs) have demonstrated their efficacy in dealing with non-Euclidean structural data, they are difficult to be deployed in real applications due to the scalability constraint imposed by multi-hop data dependency. Existing methods attempt to address this scalability issue by training multi-layer perceptrons (MLPs) exclusively on node content features using labels derived from trained GNNs. Even though the performance of MLPs can be significantly improved, two issues prevent MLPs from outperforming GNNs and being used in practice: the ignorance of graph structural information and the sensitivity to node feature noises. In this paper, we propose to learn NOise-robust Structure-aware MLPs On Graphs (NOSMOG) to overcome the challenges. Specifically, we first complement node content with position features to help MLPs capture graph structural information. We then design a novel representational similarity distillation strategy to inject structural node similarities into MLPs. Finally, we introduce the adversarial feature augmentation to ensure stable learning against feature noises and further improve performance. Extensive experiments demonstrate that NOSMOG outperforms GNNs and the state-of-the-art method in both transductive and inductive settings across seven datasets, while maintaining a competitive inference efficiency. Codes are available at https://github.com/meettyj/NOSMOG.

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arXiv2023

Heterogeneous Graph Masked Autoencoders

Generative self-supervised learning (SSL), especially masked autoencoders, has become one of the most exciting learning paradigms and has shown great potential in handling graph data. However, real-world graphs are always heterogeneous, which poses three critical challenges that existing methods ignore: 1) how to capture complex graph structure? 2) how to incorporate various node attributes? and 3) how to encode different node positions? In light of this, we study the problem of generative SSL on heterogeneous graphs and propose HGMAE, a novel heterogeneous graph masked autoencoder model to address these challenges. HGMAE captures comprehensive graph information via two innovative masking techniques and three unique training strategies. In particular, we first develop metapath masking and adaptive attribute masking with dynamic mask rate to enable effective and stable learning on heterogeneous graphs. We then design several training strategies including metapath-based edge reconstruction to adopt complex structural information, target attribute restoration to incorporate various node attributes, and positional feature prediction to encode node positional information. Extensive experiments demonstrate that HGMAE outperforms both contrastive and generative state-of-the-art baselines on several tasks across multiple datasets. Codes are available at https://github.com/meettyj/HGMAE.

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arXiv2023

Knowledge Distillation on Graphs: A Survey

Graph Neural Networks (GNNs) have attracted tremendous attention by demonstrating their capability to handle graph data. However, they are difficult to be deployed in resource-limited devices due to model sizes and scalability constraints imposed by the multi-hop data dependency. In addition, real-world graphs usually possess complex structural information and features. Therefore, to improve the applicability of GNNs and fully encode the complicated topological information, knowledge distillation on graphs (KDG) has been introduced to build a smaller yet effective model and exploit more knowledge from data, leading to model compression and performance improvement. Recently, KDG has achieved considerable progress with many studies proposed. In this survey, we systematically review these works. Specifically, we first introduce KDG challenges and bases, then categorize and summarize existing works of KDG by answering the following three questions: 1) what to distillate, 2) who to whom, and 3) how to distillate. Finally, we share our thoughts on future research directions.

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arXiv2022

Let Graph be the Go Board: Gradient-free Node Injection Attack for Graph Neural Networks via Reinforcement Learning

Graph Neural Networks (GNNs) have drawn significant attentions over the years and been broadly applied to essential applications requiring solid robustness or vigorous security standards, such as product recommendation and user behavior modeling. Under these scenarios, exploiting GNN's vulnerabilities and further downgrading its performance become extremely incentive for adversaries. Previous attackers mainly focus on structural perturbations or node injections to the existing graphs, guided by gradients from the surrogate models. Although they deliver promising results, several limitations still exist. For the structural perturbation attack, to launch a proposed attack, adversaries need to manipulate the existing graph topology, which is impractical in most circumstances. Whereas for the node injection attack, though being more practical, current approaches require training surrogate models to simulate a white-box setting, which results in significant performance downgrade when the surrogate architecture diverges from the actual victim model. To bridge these gaps, in this paper, we study the problem of black-box node injection attack, without training a potentially misleading surrogate model. Specifically, we model the node injection attack as a Markov decision process and propose Gradient-free Graph Advantage Actor Critic, namely G2A2C, a reinforcement learning framework in the fashion of advantage actor critic. By directly querying the victim model, G2A2C learns to inject highly malicious nodes with extremely limited attacking budgets, while maintaining a similar node feature distribution. Through our comprehensive experiments over eight acknowledged benchmark datasets with different characteristics, we demonstrate the superior performance of our proposed G2A2C over the existing state-of-the-art attackers. Source code is publicly available at: https://github.com/jumxglhf/G2A2C}.

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arXiv2022

Graph Contrastive Learning with Cross-view Reconstruction

Among different existing graph self-supervised learning strategies, graph contrastive learning (GCL) has been one of the most prevalent approaches to this problem. Despite the remarkable performance those GCL methods have achieved, existing GCL methods that heavily depend on various manually designed augmentation techniques still struggle to alleviate the feature suppression issue without risking losing task-relevant information. Consequently, the learned representation is either brittle or unilluminating. In light of this, we introduce the Graph Contrastive Learning with Cross-View Reconstruction (GraphCV), which follows the information bottleneck principle to learn minimal yet sufficient representation from graph data. Specifically, GraphCV aims to elicit the predictive (useful for downstream instance discrimination) and other non-predictive features separately. Except for the conventional contrastive loss which guarantees the consistency and sufficiency of the representation across different augmentation views, we introduce a cross-view reconstruction mechanism to pursue the disentanglement of the two learned representations. Besides, an adversarial view perturbed from the original view is added as the third view for the contrastive loss to guarantee the intactness of the global semantics and improve the representation robustness. We empirically demonstrate that our proposed model outperforms the state-of-the-art on graph classification task over multiple benchmark datasets.

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arXiv2022

Grape: Knowledge Graph Enhanced Passage Reader for Open-domain Question Answering

A common thread of open-domain question answering (QA) models employs a retriever-reader pipeline that first retrieves a handful of relevant passages from Wikipedia and then peruses the passages to produce an answer. However, even state-of-the-art readers fail to capture the complex relationships between entities appearing in questions and retrieved passages, leading to answers that contradict the facts. In light of this, we propose a novel knowledge Graph enhanced passage reader, namely Grape, to improve the reader performance for open-domain QA. Specifically, for each pair of question and retrieved passage, we first construct a localized bipartite graph, attributed to entity embeddings extracted from the intermediate layer of the reader model. Then, a graph neural network learns relational knowledge while fusing graph and contextual representations into the hidden states of the reader model. Experiments on three open-domain QA benchmarks show Grape can improve the state-of-the-art performance by up to 2.2 exact match score with a negligible overhead increase, with the same retriever and retrieved passages. Our code is publicly available at https://github.com/jumxglhf/GRAPE.

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arXiv2022

Diving into Unified Data-Model Sparsity for Class-Imbalanced Graph Representation Learning

Even pruned by the state-of-the-art network compression methods, Graph Neural Networks (GNNs) training upon non-Euclidean graph data often encounters relatively higher time costs, due to its irregular and nasty density properties, compared with data in the regular Euclidean space. Another natural property concomitantly with graph is class-imbalance which cannot be alleviated by the massive graph data while hindering GNNs' generalization. To fully tackle these unpleasant properties, (i) theoretically, we introduce a hypothesis about what extent a subset of the training data can approximate the full dataset's learning effectiveness. The effectiveness is further guaranteed and proved by the gradients' distance between the subset and the full set; (ii) empirically, we discover that during the learning process of a GNN, some samples in the training dataset are informative for providing gradients to update model parameters. Moreover, the informative subset is not fixed during training process. Samples that are informative in the current training epoch may not be so in the next one. We also notice that sparse subnets pruned from a well-trained GNN sometimes forget the information provided by the informative subset, reflected in their poor performances upon the subset. Based on these findings, we develop a unified data-model dynamic sparsity framework named Graph Decantation (GraphDec) to address challenges brought by training upon a massive class-imbalanced graph data. The key idea of GraphDec is to identify the informative subset dynamically during the training process by adopting sparse graph contrastive learning. Extensive experiments on benchmark datasets demonstrate that GraphDec outperforms baselines for graph and node tasks, with respect to classification accuracy and data usage efficiency.

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arXiv2022

Contrastive Graph Few-Shot Learning

Prevailing deep graph learning models often suffer from label sparsity issue. Although many graph few-shot learning (GFL) methods have been developed to avoid performance degradation in face of limited annotated data, they excessively rely on labeled data, where the distribution shift in the test phase might result in impaired generalization ability. Additionally, they lack a general purpose as their designs are coupled with task or data-specific characteristics. To this end, we propose a general and effective Contrastive Graph Few-shot Learning framework (CGFL). CGFL leverages a self-distilled contrastive learning procedure to boost GFL. Specifically, our model firstly pre-trains a graph encoder with contrastive learning using unlabeled data. Later, the trained encoder is frozen as a teacher model to distill a student model with a contrastive loss. The distilled model is finally fed to GFL. CGFL learns data representation in a self-supervised manner, thus mitigating the distribution shift impact for better generalization and making model task and data-independent for a general graph mining purpose. Furthermore, we introduce an information-based method to quantitatively measure the capability of CGFL. Comprehensive experiments demonstrate that CGFL outperforms state-of-the-art baselines on several graph mining tasks in the few-shot scenario. We also provide quantitative measurement of CGFL's success.

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arXiv2022

Self-Supervised Hypergraph Transformer for Recommender Systems

Graph Neural Networks (GNNs) have been shown as promising solutions for collaborative filtering (CF) with the modeling of user-item interaction graphs. The key idea of existing GNN-based recommender systems is to recursively perform the message passing along the user-item interaction edge for refining the encoded embeddings. Despite their effectiveness, however, most of the current recommendation models rely on sufficient and high-quality training data, such that the learned representations can well capture accurate user preference. User behavior data in many practical recommendation scenarios is often noisy and exhibits skewed distribution, which may result in suboptimal representation performance in GNN-based models. In this paper, we propose SHT, a novel Self-Supervised Hypergraph Transformer framework (SHT) which augments user representations by exploring the global collaborative relationships in an explicit way. Specifically, we first empower the graph neural CF paradigm to maintain global collaborative effects among users and items with a hypergraph transformer network. With the distilled global context, a cross-view generative self-supervised learning component is proposed for data augmentation over the user-item interaction graph, so as to enhance the robustness of recommender systems. Extensive experiments demonstrate that SHT can significantly improve the performance over various state-of-the-art baselines. Further ablation studies show the superior representation ability of our SHT recommendation framework in alleviating the data sparsity and noise issues. The source code and evaluation datasets are available at: https://github.com/akaxlh/SHT.

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arXiv2022

Task-Adaptive Few-shot Node Classification

Node classification is of great importance among various graph mining tasks. In practice, real-world graphs generally follow the long-tail distribution, where a large number of classes only consist of limited labeled nodes. Although Graph Neural Networks (GNNs) have achieved significant improvements in node classification, their performance decreases substantially in such a few-shot scenario. The main reason can be attributed to the vast generalization gap between meta-training and meta-test due to the task variance caused by different node/class distributions in meta-tasks (i.e., node-level and class-level variance). Therefore, to effectively alleviate the impact of task variance, we propose a task-adaptive node classification framework under the few-shot learning setting. Specifically, we first accumulate meta-knowledge across classes with abundant labeled nodes. Then we transfer such knowledge to the classes with limited labeled nodes via our proposed task-adaptive modules. In particular, to accommodate the different node/class distributions among meta-tasks, we propose three essential modules to perform \emph{node-level}, \emph{class-level}, and \emph{task-level} adaptations in each meta-task, respectively. In this way, our framework can conduct adaptations to different meta-tasks and thus advance the model generalization performance on meta-test tasks. Extensive experiments on four prevalent node classification datasets demonstrate the superiority of our framework over the state-of-the-art baselines. Our code is provided at https://github.com/SongW-SW/TENT.

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arXiv2022

Few-Shot Learning on Graphs

Graph representation learning has attracted tremendous attention due to its remarkable performance in many real-world applications. However, prevailing supervised graph representation learning models for specific tasks often suffer from label sparsity issue as data labeling is always time and resource consuming. In light of this, few-shot learning on graphs (FSLG), which combines the strengths of graph representation learning and few-shot learning together, has been proposed to tackle the performance degradation in face of limited annotated data challenge. There have been many studies working on FSLG recently. In this paper, we comprehensively survey these work in the form of a series of methods and applications. Specifically, we first introduce FSLG challenges and bases, then categorize and summarize existing work of FSLG in terms of three major graph mining tasks at different granularity levels, i.e., node, edge, and graph. Finally, we share our thoughts on some future research directions of FSLG. The authors of this survey have contributed significantly to the AI literature on FSLG over the last few years.

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arXiv2022

Recipe2Vec: Multi-modal Recipe Representation Learning with Graph Neural Networks

Learning effective recipe representations is essential in food studies. Unlike what has been developed for image-based recipe retrieval or learning structural text embeddings, the combined effect of multi-modal information (i.e., recipe images, text, and relation data) receives less attention. In this paper, we formalize the problem of multi-modal recipe representation learning to integrate the visual, textual, and relational information into recipe embeddings. In particular, we first present Large-RG, a new recipe graph data with over half a million nodes, making it the largest recipe graph to date. We then propose Recipe2Vec, a novel graph neural network based recipe embedding model to capture multi-modal information. Additionally, we introduce an adversarial attack strategy to ensure stable learning and improve performance. Finally, we design a joint objective function of node classification and adversarial learning to optimize the model. Extensive experiments demonstrate that Recipe2Vec outperforms state-of-the-art baselines on two classic food study tasks, i.e., cuisine category classification and region prediction. Dataset and codes are available at https://github.com/meettyj/Recipe2Vec.

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arXiv2022

RecipeRec: A Heterogeneous Graph Learning Model for Recipe Recommendation

Recipe recommendation systems play an essential role in helping people decide what to eat. Existing recipe recommendation systems typically focused on content-based or collaborative filtering approaches, ignoring the higher-order collaborative signal such as relational structure information among users, recipes and food items. In this paper, we formalize the problem of recipe recommendation with graphs to incorporate the collaborative signal into recipe recommendation through graph modeling. In particular, we first present URI-Graph, a new and large-scale user-recipe-ingredient graph. We then propose RecipeRec, a novel heterogeneous graph learning model for recipe recommendation. The proposed model can capture recipe content and collaborative signal through a heterogeneous graph neural network with hierarchical attention and an ingredient set transformer. We also introduce a graph contrastive augmentation strategy to extract informative graph knowledge in a self-supervised manner. Finally, we design a joint objective function of recommendation and contrastive learning to optimize the model. Extensive experiments demonstrate that RecipeRec outperforms state-of-the-art methods for recipe recommendation. Dataset and codes are available at https://github.com/meettyj/RecipeRec.

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arXiv2022

Label-invariant Augmentation for Semi-Supervised Graph Classification

Recently, contrastiveness-based augmentation surges a new climax in the computer vision domain, where some operations, including rotation, crop, and flip, combined with dedicated algorithms, dramatically increase the model generalization and robustness. Following this trend, some pioneering attempts employ the similar idea to graph data. Nevertheless, unlike images, it is much more difficult to design reasonable augmentations without changing the nature of graphs. Although exciting, the current graph contrastive learning does not achieve as promising performance as visual contrastive learning. We conjecture the current performance of graph contrastive learning might be limited by the violation of the label-invariant augmentation assumption. In light of this, we propose a label-invariant augmentation for graph-structured data to address this challenge. Different from the node/edge modification and subgraph extraction, we conduct the augmentation in the representation space and generate the augmented samples in the most difficult direction while keeping the label of augmented data the same as the original samples. In the semi-supervised scenario, we demonstrate our proposed method outperforms the classical graph neural network based methods and recent graph contrastive learning on eight benchmark graph-structured data, followed by several in-depth experiments to further explore the label-invariant augmentation in several aspects.

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arXiv2021

SAIL: Self-Augmented Graph Contrastive Learning

This paper studies learning node representations with graph neural networks (GNNs) for unsupervised scenario. Specifically, we derive a theoretical analysis and provide an empirical demonstration about the non-steady performance of GNNs over different graph datasets, when the supervision signals are not appropriately defined. The performance of GNNs depends on both the node feature smoothness and the locality of graph structure. To smooth the discrepancy of node proximity measured by graph topology and node feature, we proposed SAIL - a novel \underline{S}elf-\underline{A}ugmented graph contrast\underline{i}ve \underline{L}earning framework, with two complementary self-distilling regularization modules, \emph{i.e.}, intra- and inter-graph knowledge distillation. We demonstrate the competitive performance of SAIL on a variety of graph applications. Even with a single GNN layer, SAIL has consistently competitive or even better performance on various benchmark datasets, comparing with state-of-the-art baselines.

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arXiv2021

Heterogeneous Temporal Graph Neural Network

Graph neural networks (GNNs) have been broadly studied on dynamic graphs for their representation learning, majority of which focus on graphs with homogeneous structures in the spatial domain. However, many real-world graphs - i.e., heterogeneous temporal graphs (HTGs) - evolve dynamically in the context of heterogeneous graph structures. The dynamics associated with heterogeneity have posed new challenges for HTG representation learning. To solve this problem, in this paper, we propose heterogeneous temporal graph neural network (HTGNN) to integrate both spatial and temporal dependencies while preserving the heterogeneity to learn node representations over HTGs. Specifically, in each layer of HTGNN, we propose a hierarchical aggregation mechanism, including intra-relation, inter-relation, and across-time aggregations, to jointly model heterogeneous spatial dependencies and temporal dimensions. To retain the heterogeneity, intra-relation aggregation is first performed over each slice of HTG to attentively aggregate information of neighbors with the same type of relation, and then intra-relation aggregation is exploited to gather information over different types of relations; to handle temporal dependencies, across-time aggregation is conducted to exchange information across different graph slices over the HTG. The proposed HTGNN is a holistic framework tailored heterogeneity with evolution in time and space for HTG representation learning. Extensive experiments are conducted on the HTGs built from different real-world datasets and promising results demonstrate the outstanding performance of HTGNN by comparison with state-of-the-art baselines. Our built HTGs and code have been made publicly accessible at: https://github.com/YesLab-Code/HTGNN.

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arXiv2021

Few-Shot Graph Learning for Molecular Property Prediction

The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery. The existing deep neural network methods usually require large training dataset for each property, impairing their performances in cases (especially for new molecular properties) with a limited amount of experimental data, which are common in real situations. To this end, we propose Meta-MGNN, a novel model for few-shot molecular property prediction. Meta-MGNN applies molecular graph neural network to learn molecular representation and builds a meta-learning framework for model optimization. To exploit unlabeled molecular information and address task heterogeneity of different molecular properties, Meta-MGNN further incorporates molecular structure, attribute based self-supervised modules and self-attentive task weights into the former framework, strengthening the whole learning model. Extensive experiments on two public multi-property datasets demonstrate that Meta-MGNN outperforms a variety of state-of-the-art methods.

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