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Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the…

Machine Learning · Computer Science 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

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…

Machine Learning · Computer Science 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in…

Machine Learning · Statistics 2024-01-31 Ilyes Batatia , Lars L. Schaaf , Huajie Chen , Gábor Csányi , Christoph Ortner , Felix A. Faber

Graph Neural Networks (GNNs) suffer from Oversquashing, which occurs when tasks require long-range interactions. The problem arises from the presence of bottlenecks that limit the propagation of messages among distant nodes. Recently, graph…

Machine Learning · Computer Science 2025-09-09 Kushal Bose , Swagatam Das

Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…

This paper introduces a generalization of Convolutional Neural Networks (CNNs) to graphs with irregular linkage structures, especially heterogeneous graphs with typed nodes and schemas. We propose a novel spatial convolution operation to…

Machine Learning · Computer Science 2019-07-23 Aravind Sankar , Xinyang Zhang , Kevin Chen-Chuan Chang

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being…

Computer Vision and Pattern Recognition · Computer Science 2019-01-09 Chiyu "Max" Jiang , Dequan Wang , Jingwei Huang , Philip Marcus , Matthias Nießner

While Graph Neural Networks (GNNs) have achieved remarkable success, their design largely relies on empirical intuition rather than theoretical understanding. In this paper, we present a comprehensive analysis of GNN behavior through three…

Machine Learning · Computer Science 2025-02-04 Qin Jiang , Chengjia Wang , Michael Lones , Wei Pang

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Semi-supervised learning (SSL) over graph-structured data emerges in many network science applications. To efficiently manage learning over graphs, variants of graph neural networks (GNNs) have been developed recently. By succinctly…

Machine Learning · Computer Science 2021-10-22 Alireza Sadeghi , Meng Ma , Bingcong Li , Georgios B. Giannakis

Graph neural networks (GNNs) have achieved champion in wide applications. Neural message passing is a typical key module for feature propagation by aggregating neighboring features. In this work, we propose a new message passing based on…

Machine Learning · Computer Science 2023-03-01 Xinliang Liu , Bingxin Zhou , Chutian Zhang , Yu Guang Wang

Graph Convolutional Networks (GCNs) are powerful for processing graph-structured data and have achieved state-of-the-art performance in several tasks such as node classification, link prediction, and graph classification. However, it is…

Machine Learning · Computer Science 2021-10-19 Langzhang Liang , Cuiyun Gao , Shiyi Chen , Shishi Duan , Yu pan , Junjin Zheng , Lei Wang , Zenglin Xu

The message passing framework is the foundation of the immense success enjoyed by graph neural networks (GNNs) in recent years. In spite of its elegance, there exist many problems it provably cannot solve over given input graphs. This has…

Machine Learning · Computer Science 2022-02-23 Petar Veličković

In machine learning for fluid mechanics, fully-connected neural network (FNN) only uses the local features for modelling, while the convolutional neural network (CNN) cannot be applied to data on structured/unstructured mesh. In order to…

Fluid Dynamics · Physics 2021-01-14 Mengfei Xu , Shufang Song , Xuxiang Sun , Weiwei Zhang

Sheaf Neural Networks (SNNs) were introduced as an extension of Graph Convolutional Networks to address oversmoothing on heterophilous graphs by attaching a sheaf to the input graph and replacing the adjacency-based operator with a sheaf…

Machine Learning · Computer Science 2026-03-06 Ferran Hernandez Caralt , Mar Gonzàlez i Català , Adrián Bazaga , Pietro Liò

Graph neural networks (GNNs) are a powerful solution for various structure learning applications due to their strong representation capabilities for graph data. However, traditional GNNs, relying on message-passing mechanisms that gather…

Machine Learning · Computer Science 2024-03-19 Wei Duan , Jie Lu , Yu Guang Wang , Junyu Xuan

Graph neural networks (GNNs) integrate deep architectures and topological structure modeling in an effective way. However, the performance of existing GNNs would decrease significantly when they stack many layers, because of the…

Machine Learning · Computer Science 2021-07-07 Kaixiong Zhou , Xiao Huang , Daochen Zha , Rui Chen , Li Li , Soo-Hyun Choi , Xia Hu

Recently, there have been some breakthroughs in graph analysis by applying the graph neural networks (GNNs) following a neighborhood aggregation scheme, which demonstrate outstanding performance in many tasks. However, we observe that the…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xiangjian He , Yiguang Lin , Xuemin Lin

Most graph neural networks follow the message passing mechanism. However, it faces the over-smoothing problem when multiple times of message passing is applied to a graph, causing indistinguishable node representations and prevents the…

Machine Learning · Computer Science 2023-02-06 Yunchong Song , Chenghu Zhou , Xinbing Wang , Zhouhan Lin