arXiv subjects

Chuxu Zhang

Publications and source records attributed to Chuxu Zhang.

At least 55 records · Page 3Linked to original sources

arXiv2025

Adaptive Expansion for Hypergraph Learning

Hypergraph, with its powerful ability to capture higher-order relationships, has gained significant attention recently. Consequently, many hypergraph representation learning methods have emerged to model the complex relationships among hypergraphs. In general, these methods leverage classic expansion methods to convert hypergraphs into weighted or bipartite graphs, and further employ message passing mechanisms to model the complex structures within hypergraphs. However, classical expansion methods are designed in straightforward manners with fixed edge weights, resulting in information loss or redundancy. In light of this, we design a novel clique expansion-based Adaptive Expansion method called AdE to adaptively expand hypergraphs into weighted graphs that preserve the higher-order structure information. Specifically, we introduce a novel Global Simulation Network to select two representative nodes for adaptively symbolizing each hyperedge and connect the rest of the nodes within the same hyperedge to the corresponding selected nodes. Afterward, we design a distance-aware kernel function, dynamically adjusting edge weights to ensure similar nodes within a hyperedge are connected with larger weights. Extensive theoretical justifications and empirical experiments over seven benchmark hypergraph datasets demonstrate that AdE has excellent rationality, generalization, and effectiveness compared to classic expansion models.

cs.SI↗

arXiv2025

Graph Neural Networks for Databases: A Survey

Graph neural networks (GNNs) are powerful deep learning models for graph-structured data, demonstrating remarkable success across diverse domains. Recently, the database (DB) community has increasingly recognized the potentiality of GNNs, prompting a surge of researches focusing on improving database systems through GNN-based approaches. However, despite notable advances, There is a lack of a comprehensive review and understanding of how GNNs could improve DB systems. Therefore, this survey aims to bridge this gap by providing a structured and in-depth overview of GNNs for DB systems. Specifically, we propose a new taxonomy that classifies existing methods into two key categories: (1) Relational Databases, which includes tasks like performance prediction, query optimization, and text-to-SQL, and (2) Graph Databases, addressing challenges like efficient graph query processing and graph similarity computation. We systematically review key methods in each category, highlighting their contributions and practical implications. Finally, we suggest promising avenues for integrating GNNs into Database systems.

cs.DB↗

arXiv2025

Generative Risk Minimization for Out-of-Distribution Generalization on Graphs

Out-of-distribution (OOD) generalization on graphs aims at dealing with scenarios where the test graph distribution differs from the training graph distributions. Compared to i.i.d. data like images, the OOD generalization problem on graph-structured data remains challenging due to the non-i.i.d. property and complex structural information on graphs. Recently, several works on graph OOD generalization have explored extracting invariant subgraphs that share crucial classification information across different distributions. Nevertheless, such a strategy could be suboptimal for entirely capturing the invariant information, as the extraction of discrete structures could potentially lead to the loss of invariant information or the involvement of spurious information. In this paper, we propose an innovative framework, named Generative Risk Minimization (GRM), designed to generate an invariant subgraph for each input graph to be classified, instead of extraction. To address the challenge of optimization in the absence of optimal invariant subgraphs (i.e., ground truths), we derive a tractable form of the proposed GRM objective by introducing a latent causal variable, and its effectiveness is validated by our theoretical analysis. We further conduct extensive experiments across a variety of real-world graph datasets for both node-level and graph-level OOD generalization, and the results demonstrate the superiority of our framework GRM.

cs.LG↗

arXiv2025

Can LLMs Convert Graphs to Text-Attributed Graphs?

Graphs are ubiquitous structures found in numerous real-world applications, such as drug discovery, recommender systems, and social network analysis. To model graph-structured data, graph neural networks (GNNs) have become a popular tool. However, existing GNN architectures encounter challenges in cross-graph learning where multiple graphs have different feature spaces. To address this, recent approaches introduce text-attributed graphs (TAGs), where each node is associated with a textual description, which can be projected into a unified feature space using textual encoders. While promising, this method relies heavily on the availability of text-attributed graph data, which is difficult to obtain in practice. To bridge this gap, we propose a novel method named Topology-Aware Node description Synthesis (TANS), leveraging large language models (LLMs) to convert existing graphs into text-attributed graphs. The key idea is to integrate topological information into LLMs to explain how graph topology influences node semantics. We evaluate our TANS on text-rich, text-limited, and text-free graphs, demonstrating its applicability. Notably, on text-free graphs, our method significantly outperforms existing approaches that manually design node features, showcasing the potential of LLMs for preprocessing graph-structured data in the absence of textual information. The code and data are available at https://github.com/Zehong-Wang/TANS.

cs.CL↗

arXiv2024

NGQA: A Nutritional Graph Question Answering Benchmark for Personalized Health-aware Nutritional Reasoning

Diet plays a critical role in human health, yet tailoring dietary reasoning to individual health conditions remains a major challenge. Nutrition Question Answering (QA) has emerged as a popular method for addressing this problem. However, current research faces two critical limitations. On one hand, the absence of datasets involving user-specific medical information severely limits \textit{personalization}. This challenge is further compounded by the wide variability in individual health needs. On the other hand, while large language models (LLMs), a popular solution for this task, demonstrate strong reasoning abilities, they struggle with the domain-specific complexities of personalized healthy dietary reasoning, and existing benchmarks fail to capture these challenges. To address these gaps, we introduce the Nutritional Graph Question Answering (NGQA) benchmark, the first graph question answering dataset designed for personalized nutritional health reasoning. NGQA leverages data from the National Health and Nutrition Examination Survey (NHANES) and the Food and Nutrient Database for Dietary Studies (FNDDS) to evaluate whether a food is healthy for a specific user, supported by explanations of the key contributing nutrients. The benchmark incorporates three question complexity settings and evaluates reasoning across three downstream tasks. Extensive experiments with LLM backbones and baseline models demonstrate that the NGQA benchmark effectively challenges existing models. In sum, NGQA addresses a critical real-world problem while advancing GraphQA research with a novel domain-specific benchmark.

cs.CL↗

arXiv2024

MOPI-HFRS: A Multi-objective Personalized Health-aware Food Recommendation System with LLM-enhanced Interpretation

The prevalence of unhealthy eating habits has become an increasingly concerning issue in the United States. However, major food recommendation platforms (e.g., Yelp) continue to prioritize users' dietary preferences over the healthiness of their choices. Although efforts have been made to develop health-aware food recommendation systems, the personalization of such systems based on users' specific health conditions remains under-explored. In addition, few research focus on the interpretability of these systems, which hinders users from assessing the reliability of recommendations and impedes the practical deployment of these systems. In response to this gap, we first establish two large-scale personalized health-aware food recommendation benchmarks at the first attempt. We then develop a novel framework, Multi-Objective Personalized Interpretable Health-aware Food Recommendation System (MOPI-HFRS), which provides food recommendations by jointly optimizing the three objectives: user preference, personalized healthiness and nutritional diversity, along with an large language model (LLM)-enhanced reasoning module to promote healthy dietary knowledge through the interpretation of recommended results. Specifically, this holistic graph learning framework first utilizes two structure learning and a structure pooling modules to leverage both descriptive features and health data. Then it employs Pareto optimization to achieve designed multi-facet objectives. Finally, to further promote the healthy dietary knowledge and awareness, we exploit an LLM by utilizing knowledge-infusion, prompting the LLMs with knowledge obtained from the recommendation model for interpretation.

cs.IR↗

arXiv2024

SimMLP: Training MLPs on Graphs without Supervision

Graph Neural Networks (GNNs) have demonstrated their effectiveness in various graph learning tasks, yet their reliance on neighborhood aggregation during inference poses challenges for deployment in latency-sensitive applications, such as real-time financial fraud detection. To address this limitation, recent studies have proposed distilling knowledge from teacher GNNs into student Multi-Layer Perceptrons (MLPs) trained on node content, aiming to accelerate inference. However, these approaches often inadequately explore structural information when inferring unseen nodes. To this end, we introduce SimMLP, a Self-supervised framework for learning MLPs on graphs, designed to fully integrate rich structural information into MLPs. Notably, SimMLP is the first MLP-learning method that can achieve equivalence to GNNs in the optimal case. The key idea is to employ self-supervised learning to align the representations encoded by graph context-aware GNNs and neighborhood dependency-free MLPs, thereby fully integrating the structural information into MLPs. We provide a comprehensive theoretical analysis, demonstrating the equivalence between SimMLP and GNNs based on mutual information and inductive bias, highlighting SimMLP's advanced structural learning capabilities. Additionally, we conduct extensive experiments on 20 benchmark datasets, covering node classification, link prediction, and graph classification, to showcase SimMLP's superiority over state-of-the-art baselines, particularly in scenarios involving unseen nodes (e.g., inductive and cold-start node classification) where structural insights are crucial. Our codes are available at: https://github.com/Zehong-Wang/SimMLP.

cs.LG↗

arXiv2024

Training MLPs on Graphs without Supervision

cs.LG↗

arXiv2024

Instance-Aware Graph Prompt Learning

Graph neural networks stand as the predominant technique for graph representation learning owing to their strong expressive power, yet the performance highly depends on the availability of high-quality labels in an end-to-end manner. Thus the pretraining and fine-tuning paradigm has been proposed to mitigate the label cost issue. Subsequently, the gap between the pretext tasks and downstream tasks has spurred the development of graph prompt learning which inserts a set of graph prompts into the original graph data with minimal parameters while preserving competitive performance. However, the current exploratory works are still limited since they all concentrate on learning fixed task-specific prompts which may not generalize well across the diverse instances that the task comprises. To tackle this challenge, we introduce Instance-Aware Graph Prompt Learning (IA-GPL) in this paper, aiming to generate distinct prompts tailored to different input instances. The process involves generating intermediate prompts for each instance using a lightweight architecture, quantizing these prompts through trainable codebook vectors, and employing the exponential moving average technique to ensure stable training. Extensive experiments conducted on multiple datasets and settings showcase the superior performance of IA-GPL compared to state-of-the-art baselines.

cs.LG↗

arXiv2024

GFT: Graph Foundation Model with Transferable Tree Vocabulary

Inspired by the success of foundation models in applications such as ChatGPT, as graph data has been ubiquitous, one can envision the far-reaching impacts that can be brought by Graph Foundation Models (GFMs) with broader applications in the areas such as scientific research, social network analysis, drug discovery, and e-commerce. Despite the significant progress of pre-trained graph neural networks, there haven't been GFMs that can achieve desired performance on various graph-learning-related tasks. Building GFMs may rely on a vocabulary that encodes transferable patterns shared among different tasks and domains. Unlike image and text, defining such transferable patterns for graphs remains an open question. In this paper, we aim to bridge this gap by rethinking the transferable patterns on graphs as computation trees -- i.e., tree structures derived from the message-passing process. Based on this insight, we propose a cross-task, cross-domain graph foundation model named GFT, short for Graph Foundation model with transferable Tree vocabulary. By treating computation trees as tokens within the transferable vocabulary, GFT improves model generalization and reduces the risk of negative transfer. The theoretical analyses and extensive experimental studies have demonstrated the transferability of computation trees and shown the effectiveness of GFT across diverse tasks and domains in graph learning. The open source code and data are available at https://github.com/Zehong-Wang/GFT.

cs.LG↗

arXiv2024

Safety in Graph Machine Learning: Threats and Safeguards

Graph Machine Learning (Graph ML) has witnessed substantial advancements in recent years. With their remarkable ability to process graph-structured data, Graph ML techniques have been extensively utilized across diverse applications, including critical domains like finance, healthcare, and transportation. Despite their societal benefits, recent research highlights significant safety concerns associated with the widespread use of Graph ML models. Lacking safety-focused designs, these models can produce unreliable predictions, demonstrate poor generalizability, and compromise data confidentiality. In high-stakes scenarios such as financial fraud detection, these vulnerabilities could jeopardize both individuals and society at large. Therefore, it is imperative to prioritize the development of safety-oriented Graph ML models to mitigate these risks and enhance public confidence in their applications. In this survey paper, we explore three critical aspects vital for enhancing safety in Graph ML: reliability, generalizability, and confidentiality. We categorize and analyze threats to each aspect under three headings: model threats, data threats, and attack threats. This novel taxonomy guides our review of effective strategies to protect against these threats. Our systematic review lays a groundwork for future research aimed at developing practical, safety-centered Graph ML models. Furthermore, we highlight the significance of safe Graph ML practices and suggest promising avenues for further investigation in this crucial area.

cs.LG↗

arXiv2024

Subgraph Pooling: Tackling Negative Transfer on Graphs

Transfer learning aims to enhance performance on a target task by using knowledge from related tasks. However, when the source and target tasks are not closely aligned, it can lead to reduced performance, known as negative transfer. Unlike in image or text data, we find that negative transfer could commonly occur in graph-structured data, even when source and target graphs have semantic similarities. Specifically, we identify that structural differences significantly amplify the dissimilarities in the node embeddings across graphs. To mitigate this, we bring a new insight in this paper: for semantically similar graphs, although structural differences lead to significant distribution shift in node embeddings, their impact on subgraph embeddings could be marginal. Building on this insight, we introduce Subgraph Pooling (SP) by aggregating nodes sampled from a k-hop neighborhood and Subgraph Pooling++ (SP++) by a random walk, to mitigate the impact of graph structural differences on knowledge transfer. We theoretically analyze the role of SP in reducing graph discrepancy and conduct extensive experiments to evaluate its superiority under various settings. The proposed SP methods are effective yet elegant, which can be easily applied on top of any backbone Graph Neural Networks (GNNs). Our code and data are available at: https://github.com/Zehong-Wang/Subgraph-Pooling.

cs.LG↗

arXiv2024

Diet-ODIN: A Novel Framework for Opioid Misuse Detection with Interpretable Dietary Patterns

The opioid crisis has been one of the most critical society concerns in the United States. Although the medication assisted treatment (MAT) is recognized as the most effective treatment for opioid misuse and addiction, the various side effects can trigger opioid relapse. In addition to MAT, the dietary nutrition intervention has been demonstrated its importance in opioid misuse prevention and recovery. However, research on the alarming connections between dietary patterns and opioid misuse remain under-explored. In response to this gap, in this paper, we first establish a large-scale multifaceted dietary benchmark dataset related to opioid users at the first attempt and then develop a novel framework - i.e., namely Opioid Misuse Detection with Interpretable Dietary Patterns (Diet-ODIN) - to bridge heterogeneous graph (HG) and large language model (LLM) for the identification of users with opioid misuse and the interpretation of their associated dietary patterns. Specifically, in Diet-ODIN, we first construct an HG to comprehensively incorporate both dietary and health-related information, and then we devise a holistic graph learning framework with noise reduction to fully capitalize both users' individual dietary habits and shared dietary patterns for the detection of users with opioid misuse. To further delve into the intricate correlations between dietary patterns and opioid misuse, we exploit an LLM by utilizing the knowledge obtained from the graph learning model for interpretation. The extensive experimental results based on our established benchmark with quantitative and qualitative measures demonstrate the outstanding performance of Diet-ODIN in exploring the complex interplay between opioid misuse and dietary patterns, by comparison with state-of-the-art baseline methods.

cs.LG↗

arXiv2024

UGMAE: A Unified Framework for Graph Masked Autoencoders

Generative self-supervised learning on graphs, particularly graph masked autoencoders, has emerged as a popular learning paradigm and demonstrated its efficacy in handling non-Euclidean data. However, several remaining issues limit the capability of existing methods: 1) the disregard of uneven node significance in masking, 2) the underutilization of holistic graph information, 3) the ignorance of semantic knowledge in the representation space due to the exclusive use of reconstruction loss in the output space, and 4) the unstable reconstructions caused by the large volume of masked contents. In light of this, we propose UGMAE, a unified framework for graph masked autoencoders to address these issues from the perspectives of adaptivity, integrity, complementarity, and consistency. Specifically, we first develop an adaptive feature mask generator to account for the unique significance of nodes and sample informative masks (adaptivity). We then design a ranking-based structure reconstruction objective joint with feature reconstruction to capture holistic graph information and emphasize the topological proximity between neighbors (integrity). After that, we present a bootstrapping-based similarity module to encode the high-level semantic knowledge in the representation space, complementary to the low-level reconstruction in the output space (complementarity). Finally, we build a consistency assurance module to provide reconstruction objectives with extra stabilized consistency targets (consistency). Extensive experiments demonstrate that UGMAE outperforms both contrastive and generative state-of-the-art baselines on several tasks across multiple datasets.

cs.LG↗

arXiv2023

Graph-based Molecular Representation Learning

Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top of which the downstream tasks (e.g., property prediction) can be performed. Recently, MRL has achieved considerable progress, especially in methods based on deep molecular graph learning. In this survey, we systematically review these graph-based molecular representation techniques, especially the methods incorporating chemical domain knowledge. Specifically, we first introduce the features of 2D and 3D molecular graphs. Then we summarize and categorize MRL methods into three groups based on their input. Furthermore, we discuss some typical chemical applications supported by MRL. To facilitate studies in this fast-developing area, we also list the benchmarks and commonly used datasets in the paper. Finally, we share our thoughts on future research directions.

q-bio.QM↗

arXiv2023

Multi-Modal Self-Supervised Learning for Recommendation

The online emergence of multi-modal sharing platforms (eg, TikTok, Youtube) is powering personalized recommender systems to incorporate various modalities (eg, visual, textual and acoustic) into the latent user representations. While existing works on multi-modal recommendation exploit multimedia content features in enhancing item embeddings, their model representation capability is limited by heavy label reliance and weak robustness on sparse user behavior data. Inspired by the recent progress of self-supervised learning in alleviating label scarcity issue, we explore deriving self-supervision signals with effectively learning of modality-aware user preference and cross-modal dependencies. To this end, we propose a new Multi-Modal Self-Supervised Learning (MMSSL) method which tackles two key challenges. Specifically, to characterize the inter-dependency between the user-item collaborative view and item multi-modal semantic view, we design a modality-aware interactive structure learning paradigm via adversarial perturbations for data augmentation. In addition, to capture the effects that user's modality-aware interaction pattern would interweave with each other, a cross-modal contrastive learning approach is introduced to jointly preserve the inter-modal semantic commonality and user preference diversity. Experiments on real-world datasets verify the superiority of our method in offering great potential for multimedia recommendation over various state-of-the-art baselines. The implementation is released at: https://github.com/HKUDS/MMSSL.

cs.IR↗

arXiv2023

Boosting Graph Neural Networks via Adaptive Knowledge Distillation

Graph neural networks (GNNs) have shown remarkable performance on diverse graph mining tasks. Although different GNNs can be unified as the same message passing framework, they learn complementary knowledge from the same graph. Knowledge distillation (KD) is developed to combine the diverse knowledge from multiple models. It transfers knowledge from high-capacity teachers to a lightweight student. However, to avoid oversmoothing, GNNs are often shallow, which deviates from the setting of KD. In this context, we revisit KD by separating its benefits from model compression and emphasizing its power of transferring knowledge. To this end, we need to tackle two challenges: how to transfer knowledge from compact teachers to a student with the same capacity; and, how to exploit student GNN's own strength to learn knowledge. In this paper, we propose a novel adaptive KD framework, called BGNN, which sequentially transfers knowledge from multiple GNNs into a student GNN. We also introduce an adaptive temperature module and a weight boosting module. These modules guide the student to the appropriate knowledge for effective learning. Extensive experiments have demonstrated the effectiveness of BGNN. In particular, we achieve up to 3.05% improvement for node classification and 6.35% improvement for graph classification over vanilla GNNs.

cs.LG↗

arXiv2023

Self-Supervised Graph Structure Refinement for Graph Neural Networks

Graph structure learning (GSL), which aims to learn the adjacency matrix for graph neural networks (GNNs), has shown great potential in boosting the performance of GNNs. Most existing GSL works apply a joint learning framework where the estimated adjacency matrix and GNN parameters are optimized for downstream tasks. However, as GSL is essentially a link prediction task, whose goal may largely differ from the goal of the downstream task. The inconsistency of these two goals limits the GSL methods to learn the potential optimal graph structure. Moreover, the joint learning framework suffers from scalability issues in terms of time and space during the process of estimation and optimization of the adjacency matrix. To mitigate these issues, we propose a graph structure refinement (GSR) framework with a pretrain-finetune pipeline. Specifically, The pre-training phase aims to comprehensively estimate the underlying graph structure by a multi-view contrastive learning framework with both intra- and inter-view link prediction tasks. Then, the graph structure is refined by adding and removing edges according to the edge probabilities estimated by the pre-trained model. Finally, the fine-tuning GNN is initialized by the pre-trained model and optimized toward downstream tasks. With the refined graph structure remaining static in the fine-tuning space, GSR avoids estimating and optimizing graph structure in the fine-tuning phase which enjoys great scalability and efficiency. Moreover, the fine-tuning GNN is boosted by both migrating knowledge and refining graphs. Extensive experiments are conducted to evaluate the effectiveness (best performance on six benchmark datasets), efficiency, and scalability (13.8x faster using 32.8% GPU memory compared to the best GSL baseline on Cora) of the proposed model.

cs.LG↗