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Graph neural networks (GNNs) have demonstrated great success in representation learning for graph-structured data. The layer-wise graph convolution in GNNs is shown to be powerful at capturing graph topology. During this process, GNNs are…

机器学习 · 计算机科学 2021-12-10 Mingxuan Ju , Shifu Hou , Yujie Fan , Jianan Zhao , Liang Zhao , Yanfang Ye

Message-passing Graph Neural Networks (GNNs) are often criticized for their limited expressiveness, issues like over-smoothing and over-squashing, and challenges in capturing long-range dependencies. Conversely, Graph Transformers (GTs) are…

机器学习 · 计算机科学 2025-11-04 Yuankai Luo , Lei Shi , Xiao-Ming Wu

Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture…

机器学习 · 计算机科学 2023-07-04 Tingting Dan , Jiaqi Ding , Ziquan Wei , Shahar Z Kovalsky , Minjeong Kim , Won Hwa Kim , Guorong Wu

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

机器学习 · 计算机科学 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Subgraph matching query is a fundamental problem in graph data management and has a variety of real-world applications. Several recent works utilize deep learning (DL) techniques to process subgraph matching queries. Most of them find…

社会与信息网络 · 计算机科学 2025-10-29 Bin Yang , Zhaonian Zou , Jianxiong Ye

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…

生物大分子 · 定量生物学 2022-06-15 Shuke Zhang , Yanzhao Jin , Tianmeng Liu , Qi Wang , Zhaohui Zhang , Shuliang Zhao , Bo Shan

Graph neural networks (GNN) represent an emerging line of deep learning models that operate on graph structures. It is becoming more and more popular due to its high accuracy achieved in many graph-related tasks. However, GNN is not as well…

硬件体系结构 · 计算机科学 2021-12-28 Zhihui Zhang , Jingwen Leng , Lingxiao Ma , Youshan Miao , Chao Li , Minyi Guo

Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the…

机器学习 · 计算机科学 2024-03-12 Yijian Qin , Ziwei Zhang , Xin Wang , Zeyang Zhang , Wenwu Zhu

Aiming at the limitations of traditional medical decision system in processing large-scale heterogeneous medical data and realizing highly personalized recommendation, this paper introduces a personalized medical decision algorithm…

机器学习 · 计算机科学 2024-05-29 Yafeng Yan , Shuyao He , Zhou Yu , Jiajie Yuan , Ziang Liu , Yan Chen

This paper studies semi-supervised graph classification, which is an important problem with various applications in social network analysis and bioinformatics. This problem is typically solved by using graph neural networks (GNNs), which…

机器学习 · 计算机科学 2022-05-24 Wei Ju , Junwei Yang , Meng Qu , Weiping Song , Jianhao Shen , Ming Zhang

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

机器学习 · 计算机科学 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models…

分布式、并行与集群计算 · 计算机科学 2022-10-20 Rishov Sarkar , Stefan Abi-Karam , Yuqi He , Lakshmi Sathidevi , Cong Hao

Graph Neural Networks (GNNs) excel at learning from structured data, yet fairness in regression tasks remains underexplored. Existing approaches mainly target classification and representation-level debiasing, which cannot fully address the…

机器学习 · 计算机科学 2025-10-24 Soyoung Park , Sungsu Lim

Graph data are pervasive in many real-world applications. Recently, increasing attention has been paid on graph neural networks (GNNs), which aim to model the local graph structures and capture the hierarchical patterns by aggregating the…

机器学习 · 计算机科学 2020-06-29 Kwei-Herng Lai , Daochen Zha , Kaixiong Zhou , Xia Hu

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are…

机器学习 · 计算机科学 2022-06-20 Jiuhai Chen , Jonas Mueller , Vassilis N. Ioannidis , Tom Goldstein , David Wipf

Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory…

机器学习 · 计算机科学 2023-03-02 Keyu Duan , Zirui Liu , Peihao Wang , Wenqing Zheng , Kaixiong Zhou , Tianlong Chen , Xia Hu , Zhangyang Wang

To improve the performance of Graph Neural Networks (GNNs), Graph Structure Learning (GSL) has been extensively applied to reconstruct or refine original graph structures, effectively addressing issues like heterophily, over-squashing, and…

机器学习 · 计算机科学 2024-11-13 Yilun Zheng , Zhuofan Zhang , Ziming Wang , Xiang Li , Sitao Luan , Xiaojiang Peng , Lihui Chen

Graph neural networks (GNNs) have shown significant accuracy improvements in a variety of graph learning domains, sparking considerable research interest. To translate these accuracy improvements into practical applications, it is essential…

硬件体系结构 · 计算机科学 2023-08-17 Shuwen Lu , Zhihui Zhang , Cong Guo , Jingwen Leng , Yangjie Zhou , Minyi Guo

Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

机器学习 · 计算机科学 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

Graph Convolutional Networks (GCNs) and their variants have received significant attention and achieved start-of-the-art performances on various recommendation tasks. However, many existing GCN models tend to perform recursive aggregations…

信息检索 · 计算机科学 2020-06-09 Yue Xu , Hao Chen , Zengde Deng , Junxiong Zhu , Yanghua Li , Peng He , Wenyao Gao , Wenjun Xu