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An emerging trend in deep learning research focuses on the applications of graph neural networks (GNNs) for mesh-based continuum mechanics simulations. Most of these learning frameworks operate on graphs wherein each edge connects two…

流体动力学 · 物理学 2024-10-08 Rui Gao , Indu Kant Deo , Rajeev K. Jaiman

Physics-informed Graph Neural Networks have achieved remarkable performance in learning through graph-structured data by mitigating common GNN challenges such as over-smoothing, over-squashing, and heterophily adaption. Despite these…

机器学习 · 计算机科学 2024-06-13 Dai Shi , Andi Han , Lequan Lin , Yi Guo , Zhiyong Wang , Junbin Gao

The analogy to heat diffusion has enhanced our understanding of information flow in graphs and inspired the development of Graph Neural Networks (GNNs). However, most diffusion-based GNNs emulate passive heat diffusion, which still suffers…

机器学习 · 计算机科学 2025-10-23 Mengying Jiang

Deep neural networks (DNNs) are powerful tools for approximating the distribution of complex data. It is known that data passing through a trained DNN classifier undergoes a series of geometric and topological simplifications. While some…

Hypergraphs effectively model higher-order relationships in natural phenomena, capturing complex interactions beyond pairwise connections. We introduce a novel hypergraph message passing framework inspired by interacting particle systems,…

机器学习 · 计算机科学 2025-05-27 Yixuan Ma , Kai Yi , Pietro Lio , Shi Jin , Yu Guang Wang

Graphs with heterophily, where adjacent nodes carry different labels, are prevalent in real-world applications, from social networks to molecular interactions. However, existing spectral Graph Neural Network (GNN) approaches tailored for…

机器学习 · 计算机科学 2026-05-13 Md Sazzad Hossen , Avimanyu Sahoo

Deep neural networks learn feature representations via complex geometric transformations of the input data manifold. Despite the models' empirical success across domains, our understanding of neural feature representations is still…

机器学习 · 计算机科学 2025-09-29 Moritz Hehl , Max von Renesse , Melanie Weber

The ability of message-passing neural networks (MPNNs) to fit complex functions over graphs is limited as most graph convolutions amplify the same signal across all feature channels, a phenomenon known as rank collapse, and over-smoothing…

机器学习 · 计算机科学 2024-12-10 Andreas Roth , Franka Bause , Nils M. Kriege , Thomas Liebig

Recent years have witnessed remarkable success achieved by graph neural networks (GNNs) in many real-world applications such as recommendation and drug discovery. Despite the success, oversmoothing has been identified as one of the key…

机器学习 · 计算机科学 2022-06-17 Wei Jin , Xiaorui Liu , Yao Ma , Charu Aggarwal , Jiliang Tang

Knowledge graphs (KGs) are commonly used as side information to enhance collaborative signals and improve recommendation quality. In the context of knowledge-aware recommendation (KGR), graph neural networks (GNNs) have emerged as promising…

信息检索 · 计算机科学 2023-08-16 Yi Liu , Hongrui Xuan , Bohan Li , Meng Wang , Tong Chen , Hongzhi Yin

Graph neural networks (GNNs) have shown promising results across various graph learning tasks, but they often assume homophily, which can result in poor performance on heterophilic graphs. The connected nodes are likely to be from different…

机器学习 · 计算机科学 2023-05-31 Kai Zhao , Qiyu Kang , Yang Song , Rui She , Sijie Wang , Wee Peng Tay

Graph neural networks (GNNs) have achieved remarkable empirical success in processing and representing graph-structured data across various domains. However, a significant challenge known as "oversmoothing" persists, where vertex features…

机器学习 · 计算机科学 2025-01-07 Ziang Chen , Zhengjiang Lin , Shi Chen , Yury Polyanskiy , Philippe Rigollet

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

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

机器学习 · 计算机科学 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

In recent years, Graph Convolutional Networks (GCNs) have gained popularity for their exceptional ability to process graph-structured data. Existing GCN-based approaches typically employ a shallow model architecture due to the…

机器学习 · 计算机科学 2025-04-22 Jielong Lu , Zhihao Wu , Zhiling Cai , Yueyang Pi , Shiping Wang

Graph Neural Network (GNN), with the main idea of encoding graph structure information of graphs by propagation and aggregation, has developed rapidly. It achieved excellent performance in representation learning of multiple types of graphs…

机器学习 · 计算机科学 2024-07-04 Yushan Zhu , Wen Zhang , Yajing Xu , Zhen Yao , Mingyang Chen , Huajun Chen

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle…

机器学习 · 计算机科学 2022-10-24 Hongjoon Ahn , Yongyi Yang , Quan Gan , Taesup Moon , David Wipf

Due to the over-smoothing issue, most existing graph neural networks can only capture limited dependencies with their inherently finite aggregation layers. To overcome this limitation, we propose a new kind of graph convolution, called…

机器学习 · 计算机科学 2022-06-30 Qi Chen , Yifei Wang , Yisen Wang , Jiansheng Yang , Zhouchen Lin

Graph Neural Networks (GNNs) suffer from over-smoothing in deep architectures and expressiveness bounded by the 1-Weisfeiler-Leman (1-WL) test. We adapt Manifold-Constrained Hyper-Connections (\mhc)~\citep{xie2025mhc}, recently proposed for…

机器学习 · 计算机科学 2026-01-07 Subhankar Mishra

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