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Graph neural networks (GNNs) realize great success in graph learning but suffer from performance loss when meeting heterophily, i.e. neighboring nodes are dissimilar, due to their local and uniform aggregation. Existing attempts of…

Machine Learning · Computer Science 2026-04-14 Haoyu Liu , Ningyi Liao , Siqiang Luo

Graph Neural Networks (GNNs) have emerged as a prominent framework for graph mining, leading to significant advances across various domains. Stemmed from the node-wise representations of GNNs, existing explanation studies have embraced the…

Machine Learning · Computer Science 2024-07-03 Yuwen Wang , Shunyu Liu , Tongya Zheng , Kaixuan Chen , Mingli Song

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses…

Machine Learning · Computer Science 2021-10-19 Yao Ma , Xiaorui Liu , Tong Zhao , Yozen Liu , Jiliang Tang , Neil Shah

Teaching Graph Neural Networks (GNNs) to accurately classify nodes under severely noisy labels is an important problem in real-world graph learning applications, but is currently underexplored. Although pairwise training methods have…

Machine Learning · Computer Science 2023-06-06 Xuefeng Du , Tian Bian , Yu Rong , Bo Han , Tongliang Liu , Tingyang Xu , Wenbing Huang , Yixuan Li , Junzhou Huang

Graph neural networks (GNNs) have shown significant success in learning graph representations. However, recent studies reveal that GNNs often fail to outperform simple MLPs on heterophilous graph tasks, where connected nodes may differ in…

Machine Learning · Computer Science 2025-04-10 Songwei Zhao , Yuan Jiang , Zijing Zhang , Yang Yu , Hechang Chen

Various graph neural networks (GNNs) have been proposed to solve node classification tasks in machine learning for graph data. GNNs use the structural information of graph data by aggregating the features of neighboring nodes. However, they…

Machine Learning · Computer Science 2022-12-29 Yuga Oishi , Ken kaneiwa

Graph Neural Networks have become one of the indispensable tools to learn from graph-structured data, and their usefulness has been shown in wide variety of tasks. In recent years, there have been tremendous improvements in architecture…

Machine Learning · Statistics 2021-11-15 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

Machine Learning · Computer Science 2024-04-19 Mingda Xu , Peisheng Qian , Ziyuan Zhao , Zeng Zeng , Jianguo Chen , Weide Liu , Xulei Yang

Scalable graph neural networks (GNNs) have emerged as a promising technique, which exhibits superior predictive performance and high running efficiency across numerous large-scale graph-based web applications. However, (i) Most scalable…

Machine Learning · Computer Science 2024-02-12 Xunkai Li , Jingyuan Ma , Zhengyu Wu , Daohan Su , Wentao Zhang , Rong-Hua Li , Guoren Wang

Graph Neural Networks (GNNs) are powerful to learn the representation of graph-structured data. Most of the GNNs use the message-passing scheme, where the embedding of a node is iteratively updated by aggregating the information of its…

Machine Learning · Computer Science 2020-07-28 Shuo Zhang , Lei Xie

Graph Neural Networks (GNNs) have achieved tremendous success in various real-world applications due to their strong ability in graph representation learning. GNNs explore the graph structure and node features by aggregating and…

Machine Learning · Computer Science 2021-03-09 Wei Jin , Tyler Derr , Yiqi Wang , Yao Ma , Zitao Liu , Jiliang Tang

Efficient and effective drug-target binding affinity (DTBA) prediction is a challenging task due to the limited computational resources in practical applications and is a crucial basis for drug screening. Inspired by the good representation…

Biomolecules · Quantitative Biology 2022-06-15 Shuke Zhang , Yanzhao Jin , Tianmeng Liu , Qi Wang , Zhaohui Zhang , Shuliang Zhao , Bo Shan

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

Social and Information Networks · Computer Science 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

Efficient computation of node proximity queries such as transition probabilities, Personalized PageRank, and Katz are of fundamental importance in various graph mining and learning tasks. In particular, several recent works leverage fast…

Data Structures and Algorithms · Computer Science 2021-11-29 Hanzhi Wang , Mingguo He , Zhewei Wei , Sibo Wang , Ye Yuan , Xiaoyong Du , Ji-Rong Wen

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Machine Learning · Computer Science 2024-10-10 S. Akansha

Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

Machine Learning · Computer Science 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and…

Machine Learning · Computer Science 2022-06-10 Seongjun Yun , Seoyoon Kim , Junhyun Lee , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Network (GNN) has achieved remarkable success in various graph learning tasks, such as node classification, link prediction and graph classification. The key to the success of GNN lies in its effective structure information…

Cryptography and Security · Computer Science 2024-05-30 Peican Zhu , Zechen Pan , Keke Tang , Xiaodong Cui , Jinhuan Wang , Qi Xuan

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…

Machine Learning · Computer Science 2020-10-27 Tailin Wu , Hongyu Ren , Pan Li , Jure Leskovec

Graph is a prevalent data structure employed to represent the relationships between entities, frequently serving as a tool to depict and simulate numerous systems, such as molecules and social networks. However, real-world graphs usually…

Machine Learning · Computer Science 2024-12-24 Jiawen Qin , Pengfeng Huang , Qingyun Sun , Cheng Ji , Xingcheng Fu , Jianxin Li