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Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

机器学习 · 计算机科学 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

In this paper, we study the generalization capabilities of geometric graph neural networks (GNNs). We consider GNNs over a geometric graph constructed from a finite set of randomly sampled points over an embedded manifold with topological…

信号处理 · 电气工程与系统科学 2025-06-10 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

机器学习 · 计算机科学 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Graph Neural Networks (GNNs) extend convolutional neural networks to operate on graphs. Despite their impressive performances in various graph learning tasks, the theoretical understanding of their generalization capability is still…

机器学习 · 计算机科学 2025-06-10 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

机器学习 · 统计学 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a…

机器学习 · 计算机科学 2023-05-22 Eran Rosenbluth , Jan Toenshoff , Martin Grohe

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

机器学习 · 计算机科学 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

Graphons have traditionally served as limit objects for dense graph sequences, with the cut distance serving as the metric for convergence. However, sparse graph sequences converge to the trivial graphon under the conventional definition of…

信号处理 · 电气工程与系统科学 2023-09-12 Xingchao Jian , Feng Ji , Wee Peng Tay

Graph limit models, like graphons for limits of dense graphs, have recently been used to study size transferability of graph neural networks (GNNs). While most literature focuses on message passing GNNs (MPNNs), in this work we attend to…

机器学习 · 计算机科学 2025-05-20 Daniel Herbst , Stefanie Jegelka

Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited…

统计方法学 · 统计学 2026-05-26 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

A hallmark of graph neural networks is their ability to distinguish the isomorphism class of their inputs. This study derives hardness results for the classification variant of graph isomorphism in the message-passing model (MPNN). MPNN…

机器学习 · 计算机科学 2020-10-19 Andreas Loukas

Using message-passing graph neural networks (MPNNs) for node and link prediction is crucial in various scientific and industrial domains, which has led to the development of diverse MPNN architectures. Besides working well in practical…

机器学习 · 计算机科学 2025-10-31 Antonis Vasileiou , Timo Stoll , Christopher Morris

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

机器学习 · 计算机科学 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

机器学习 · 计算机科学 2022-04-19 Stefanie Jegelka

Graph neural networks (GNNs) have become powerful tools for processing graph-based information in various domains. A desirable property of GNNs is transferability, where a trained network can swap in information from a different graph…

机器学习 · 计算机科学 2024-06-24 A. Martina Neuman , Jason J. Bramburger

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus…

机器学习 · 计算机科学 2020-09-04 Alok Tripathy , Katherine Yelick , Aydin Buluc

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

机器学习 · 计算机科学 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

机器学习 · 计算机科学 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Spatial Message Passing Graph Neural Networks (MPGNNs) are widely used for learning on graph-structured data. However, key limitations of l-step MPGNNs are that their "receptive field" is typically limited to the l-hop neighborhood of a…

机器学习 · 计算机科学 2024-06-04 Simon Geisler , Arthur Kosmala , Daniel Herbst , Stephan Günnemann

The counting power of Message Passing Neural Networks (MPNN) has been the subject of many recent papers, showing that they can express logic that involves counting up to a threshold or more generally satisfy a linear arithmetic constraint.…

机器学习 · 计算机科学 2026-05-12 Marco Sälzer , Pascal Bergsträßer , Anthony W. Lin