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Graph classification is a fundamental task in domains ranging from molecular property prediction to materials design. While graph neural networks (GNNs) achieve strong performance by learning expressive representations via message passing,…

机器学习 · 计算机科学 2025-12-04 Hamed Poursiami , Shay Snyder , Guojing Cong , Thomas Potok , Maryam Parsa

Dynamics modeling has been introduced as a novel paradigm in message passing (MP) of graph neural networks (GNNs). Existing methods consider MP between nodes as a heat diffusion process, and leverage heat equation to model the temporal…

机器学习 · 计算机科学 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Yihan Guo , Xinghua Zhang , Chuan Zhou , Tingwen Liu , Li Guo

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

机器学习 · 计算机科学 2023-10-31 Andi Han , Dai Shi , Lequan Lin , Junbin Gao

Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embeddings with lower distortion, hyperbolic neural networks offer…

机器学习 · 计算机科学 2025-06-18 Pol Arévalo , Alexis Molina , Álvaro Ciudad

Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a…

社会与信息网络 · 计算机科学 2022-04-06 Johannes Gasteiger , Stefan Weißenberger , Stephan Günnemann

Heterogeneous graphs (HGs) also known as heterogeneous information networks have become ubiquitous in real-world scenarios; therefore, HG embedding, which aims to learn representations in a lower-dimension space while preserving the…

社会与信息网络 · 计算机科学 2020-12-02 Xiao Wang , Deyu Bo , Chuan Shi , Shaohua Fan , Yanfang Ye , Philip S. Yu

Existing GNN-based Human-Object Interaction (HOI) detection methods rely on simple MLPs to fuse instance features and propagate information. However, this mechanism is largely empirical and lack of targeted information propagation process.…

计算机视觉与模式识别 · 计算机科学 2026-03-31 Wenxuan Ji , Haichao Shi , Xiao-Yu Zhang

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

机器学习 · 计算机科学 2023-03-02 Daniel Glickman , Eran Yahav

Image analysis in the euclidean space through linear hyperspaces is well studied. However, in the quest for more effective image representations, we turn to hyperbolic manifolds. They provide a compelling alternative to capture complex…

计算机视觉与模式识别 · 计算机科学 2024-09-11 Debjyoti Mondal , Rahul Mishra , Chandan Pandey

Recent studies reveal the connection between GNNs and the diffusion process, which motivates many diffusion-based GNNs to be proposed. However, since these two mechanisms are closely related, one fundamental question naturally arises: Is…

社会与信息网络 · 计算机科学 2024-04-23 Yibo Li , Xiao Wang , Hongrui Liu , Chuan Shi

Graph neural networks for heterogeneous graph embedding is to project nodes into a low-dimensional space by exploring the heterogeneity and semantics of the heterogeneous graph. However, on the one hand, most of existing heterogeneous graph…

机器学习 · 计算机科学 2022-12-01 Zezhi Shao , Yongjun Xu , Wei Wei , Fei Wang , Zhao Zhang , Feida Zhu

Neural diffusion on graphs is a novel class of graph neural networks that has attracted increasing attention recently. The capability of graph neural partial differential equations (PDEs) in addressing common hurdles of graph neural…

机器学习 · 计算机科学 2023-05-12 Yang Song , Qiyu Kang , Sijie Wang , Zhao Kai , Wee Peng Tay

Hypergraph neural networks (HGNNs) have demonstrated strong capabilities in modeling complex higher-order relationships. However, existing HGNNs often suffer from over-smoothing as the number of layers increases and lack effective control…

机器学习 · 计算机科学 2026-03-18 Mengyao Zhou , Zhiheng Zhou , Xiao Han , Xingqin Qi , Guanghui Wang , Guiying Yan

Hyperbolic geometry has emerged as an effective latent space for representing complex networks, owing to its ability to capture hierarchical organization and heterogeneous connectivity patterns using low-dimensional embeddings. As a result,…

机器学习 · 计算机科学 2026-05-01 Sofía Pérez Casulo , Marcelo Fiori , Bernardo Marenco , Federico Larroca

Graph Neural Networks (GNNs) have been emerging as a promising method for relational representation including recommender systems. However, various challenging issues of social graphs hinder the practical usage of GNNs for social…

社会与信息网络 · 计算机科学 2019-08-08 Kyung-Min Kim , Donghyun Kwak , Hanock Kwak , Young-Jin Park , Sangkwon Sim , Jae-Han Cho , Minkyu Kim , Jihun Kwon , Nako Sung , Jung-Woo Ha

Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces.…

机器学习 · 计算机科学 2019-12-09 Yiding Zhang , Xiao Wang , Xunqiang Jiang , Chuan Shi , Yanfang Ye

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

机器学习 · 计算机科学 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Solving large complex partial differential equations (PDEs), such as those that arise in computational fluid dynamics (CFD), is a computationally expensive process. This has motivated the use of deep learning approaches to approximate the…

机器学习 · 计算机科学 2020-08-18 Filipe de Avila Belbute-Peres , Thomas D. Economon , J. Zico Kolter

Most previous heterogeneous graph embedding models represent elements in a heterogeneous graph as vector representations in a low-dimensional Euclidean space. However, because heterogeneous graphs inherently possess complex structures, such…

机器学习 · 计算机科学 2024-04-16 Jongmin Park , Seunghoon Han , Soohwan Jeong , Sungsu Lim

Graph Neural Networks (GNNs) have achieved remarkable success in various graph mining tasks by aggregating information from neighborhoods for representation learning. The success relies on the homophily assumption that nearby nodes exhibit…

机器学习 · 计算机科学 2024-06-03 Zhuonan Zheng , Sheng Zhou , Hongjia Xu , Ming Gu , Yilun Xu , Ao Li , Yuhong Li , Jingjun Gu , Jiajun Bu