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Heterogeneous graph neural networks (HGNNs) have powerful capability to embed rich structural and semantic information of a heterogeneous graph into node representations. Existing HGNNs inherit many mechanisms from graph neural networks…

Machine Learning · Computer Science 2023-09-04 Xiaocheng Yang , Mingyu Yan , Shirui Pan , Xiaochun Ye , Dongrui Fan

The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

Machine Learning · Computer Science 2024-11-25 Xiangyu Zhang

Graph clustering is a fundamental task in graph analysis, and recent advances in utilizing graph neural networks (GNNs) have shown impressive results. Despite the success of existing GNN-based graph clustering methods, they often overlook…

Machine Learning · Computer Science 2023-10-31 Ming Gu , Gaoming Yang , Sheng Zhou , Ning Ma , Jiawei Chen , Qiaoyu Tan , Meihan Liu , Jiajun Bu

Graph representation learning (GRL) has evolved from topology-only graph embeddings to task-specific supervised GNNs, and more recently to reusable representations and graph foundation models (GFMs). However, existing evaluations mainly…

Machine Learning · Computer Science 2026-05-08 Xiaoguang Guo , Zehong Wang , Ziming Li , Shawn Spitzel , Soonwoo Kwon , Tianyi Ma , Yanfang Ye , Chuxu Zhang

Heterogeneous graphs (HGs) are composed of multiple types of nodes and edges, making it more effective in capturing the complex relational structures inherent in the real world. However, in real-world scenarios, labeled data is often…

Machine Learning · Computer Science 2025-08-20 Ruobing Jiang , Yacong Li , Haobing Liu , Yanwei Yu

Under circumstances of heterophily, where nodes with different labels tend to be connected based on semantic meanings, Graph Neural Networks (GNNs) often exhibit suboptimal performance. Current studies on graph heterophily mainly focus on…

Machine Learning · Computer Science 2024-11-13 Yilun Zheng , Jiahao Xu , Lihui Chen

Despite the tremendous success of graph-based learning systems in handling structural data, it has been widely investigated that they are fragile to adversarial attacks on homophilic graph data, where adversaries maliciously modify the…

Machine Learning · Computer Science 2025-09-05 Yulin Zhu , Yuni Lai , Xing Ai , Wai Lun LO , Gaolei Li , Jianhua Li , Di Tang , Xingxing Zhang , Mengpei Yang , Kai Zhou

Many real world graphs contain time domain information. Temporal Graph Neural Networks capture temporal information as well as structural and contextual information in the generated dynamic node embeddings. Researchers have shown that these…

Machine Learning · Computer Science 2022-07-04 Hongkuan Zhou , Da Zheng , Israt Nisa , Vasileios Ioannidis , Xiang Song , George Karypis

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

Graph neural networks (GNNs) and heterogeneous graph neural networks (HGNNs) are prominent techniques for homogeneous and heterogeneous graph representation learning, yet their performance in an end-to-end supervised framework greatly…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Yuan Fang , Zemin Liu , Xinming Zhang

Representation learning in dynamic graphs is a challenging problem because the topology of graph and node features vary at different time. This requires the model to be able to effectively capture both graph topology information and…

Machine Learning · Computer Science 2021-11-16 Xintao Xiang , Tiancheng Huang , Donglin Wang

Link prediction on graphs is a fundamental problem. Subgraph representation learning approaches (SGRLs), by transforming link prediction to graph classification on the subgraphs around the links, have achieved state-of-the-art performance…

Machine Learning · Computer Science 2024-10-21 Paul Louis , Shweta Ann Jacob , Amirali Salehi-Abari

Federated graph representation learning (FedGRL) brings the benefits of distributed training to graph structured data while simultaneously addressing some privacy and compliance concerns related to data curation. However, several…

Machine Learning · Computer Science 2022-10-28 Susheel Suresh , Danny Godbout , Arko Mukherjee , Mayank Shrivastava , Jennifer Neville , Pan Li

Heterogeneous Graphs (HGs) effectively model complex relationships in the real world through multi-type nodes and edges. In recent years, inspired by self-supervised learning (SSL), contrastive learning (CL)-based Heterogeneous Graphs…

Machine Learning · Computer Science 2025-05-06 Yu Wang , Lei Sang , Yi Zhang , Yiwen Zhang , Xindong Wu

Graph Neural Networks (GNNs) are well-suited for learning on homophilous graphs, i.e., graphs in which edges tend to connect nodes of the same type. Yet, achievement of consistent GNN performance on heterophilous graphs remains an open…

Machine Learning · Computer Science 2023-08-30 Andrea Cavallo , Claas Grohnfeldt , Michele Russo , Giulio Lovisotto , Luca Vassio

Multivariate time-series forecasting is a critical task for many applications, and graph time-series network is widely studied due to its capability to capture the spatial-temporal correlation simultaneously. However, most existing works…

Machine Learning · Computer Science 2022-10-14 Hongyuan Yu , Ting Li , Weichen Yu , Jianguo Li , Yan Huang , Liang Wang , Alex Liu

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Machine Learning · Computer Science 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

Graph neural networks (GNNs) have been widely used in deep learning on graphs. They can learn effective node representations that achieve superior performances in graph analysis tasks such as node classification and node clustering.…

Machine Learning · Computer Science 2021-04-19 Jianxin Li , Hao Peng , Yuwei Cao , Yingtong Dou , Hekai Zhang , Philip S. Yu , Lifang He

This paper presents HGEN that pioneers ensemble learning for heterogeneous graphs. We argue that the heterogeneity in node types, nodal features, and local neighborhood topology poses significant challenges for ensemble learning,…

Machine Learning · Computer Science 2026-02-05 Jiajun Shen , Yufei Jin , Yi He , Xingquan Zhu
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