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Predicting interactions between structured entities lies at the core of numerous tasks such as drug regimen and new material design. In recent years, graph neural networks have become attractive. They represent structured entities as graphs…

Machine Learning · Computer Science 2020-04-21 Nuo Xu , Pinghui Wang , Long Chen , Jing Tao , Junzhou Zhao

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

We present a topology-based method for mesh-partitioning in three-dimensional discrete fracture network (DFN) simulations that take advantage of the intrinsic multi-level nature of a DFN. DFN models are used to simulate flow and transport…

Graph Neural Networks (GNNs) have proven effective in various medical imaging applications, such as automated disease diagnosis. However, due to the local neighborhood aggregation paradigm in message passing which characterizes these…

Machine Learning · Computer Science 2024-11-05 K. Mancini , I. Rekik

Graph Neural Networks (GNNs) have deeply modified the landscape of numerical simulations by demonstrating strong capabilities in approximating solutions of physical systems. However, their ability to extrapolate beyond their training domain…

Machine Learning · Computer Science 2025-08-27 Paul Garnier , Jonathan Viquerat , Elie Hachem

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Most Graph Neural Networks (GNNs) propagate messages by treating node embeddings as holistic feature vectors, implicitly assuming uniform relevance across feature dimensions. This limits their ability to selectively transmit informative…

Machine Learning · Computer Science 2025-12-24 Longlong Li , Mengyang Zhao , Guanghui Wang , Cunquan Qu

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

We present MeshGraphNet-Transformer (MGN-T), a novel architecture that combines the global modeling capabilities of Transformers with the geometric inductive bias of MeshGraphNets, while preserving a mesh-based graph representation. MGN-T…

Machine Learning · Computer Science 2026-02-06 Mikel M. Iparraguirre , Iciar Alfaro , David Gonzalez , Elias Cueto

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

Machine Learning · Computer Science 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph…

Machine Learning · Computer Science 2021-02-01 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

We propose a geometric scattering-based graph neural network (GNN) for approximating solutions of the NP-hard maximum clique (MC) problem. We construct a loss function with two terms, one which encourages the network to find highly…

Machine Learning · Computer Science 2022-11-29 Yimeng Min , Frederik Wenkel , Michael Perlmutter , Guy Wolf

By conceiving physical systems as 3D many-body point clouds, geometric graph neural networks (GNNs), such as SE(3)/E(3) equivalent GNNs, have showcased promising performance. In particular, their effective message-passing mechanics make…

Machine Learning · Computer Science 2024-01-30 Weitao Du , Shengchao Liu , Xuecang Zhang

Deep Graph Neural Networks (GNNs) are essential for capturing complex dependencies in graph-structured data. However, scaling GNNs to depth remains challenging, as stacking layers leads to representation collapse and diminishing sensitivity…

Machine Learning · Computer Science 2026-05-26 Rémi Bourgerie , Šarūnas Girdzijauskas , Viktoria Fodor

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…

Machine Learning · Computer Science 2023-10-31 Andi Han , Dai Shi , Lequan Lin , Junbin Gao

High-resolution (HR) information of fluid flows, although preferable, is usually less accessible due to limited computational or experimental resources. In many cases, fluid data are generally sparse, incomplete, and possibly noisy. How to…

Fluid Dynamics · Physics 2021-07-20 Han Gao , Luning Sun , Jian-Xun Wang

Graph Neural Networks (GNNs) have emerged as powerful tools for various graph mining tasks, yet existing scalable solutions often struggle to balance execution efficiency with prediction accuracy. These difficulties stem from iterative…

Machine Learning · Computer Science 2026-04-02 Xu Cheng , Liang Yao , Feng He , Yukuo Cen , Yufei He , Chenhui Zhang , Wenzheng Feng , Hongyun Cai , Jie Tang

Message passing is a core mechanism in Graph Neural Networks (GNNs), enabling the iterative update of node embeddings by aggregating information from neighboring nodes. Graph Convolutional Networks (GCNs) exemplify this approach by adapting…

Machine Learning · Computer Science 2026-03-26 Mayssa Soussia , Gita Ayu Salsabila , Mohamed Ali Mahjoub , Islem Rekik

Accurate prediction of permeability in porous media is essential for modeling subsurface flow. While pure data-driven models offer computational efficiency, they often lack generalization across scales and do not incorporate explicit…

Machine Learning · Computer Science 2025-09-18 Qingqi Zhao , Heng Xiao

In this work, we present HyperFlow - a novel generative model that leverages hypernetworks to create continuous 3D object representations in a form of lightweight surfaces (meshes), directly out of point clouds. Efficient object…

Computer Vision and Pattern Recognition · Computer Science 2020-06-17 Przemysław Spurek , Maciej Zięba , Jacek Tabor , Tomasz Trzciński