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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

3D reconstruction and simulation, although interrelated, have distinct objectives: reconstruction requires a flexible 3D representation that can adapt to diverse scenes, while simulation needs a structured representation to model motion…

Computer Vision and Pattern Recognition · Computer Science 2024-11-25 Shaojie Ma , Yawei Luo , Wei Yang , Yi Yang

Mesh-based graph neural networks (GNNs) have become effective surrogates for PDE simulations, yet their deep message passing incurs high cost and over-smoothing on large, long-range meshes; hierarchical GNNs shorten propagation paths but…

Machine Learning · Computer Science 2025-09-16 Bo Lei , Victor M. Castillo , Yeping Hu

The Graph Neural Network (GNN) has been widely used for graph data representation. However, the existing researches only consider the ideal balanced dataset, and the imbalanced dataset is rarely considered. Traditional methods such as…

Machine Learning · Computer Science 2022-05-10 S. Shi , Kai Qiao , Shuai Yang , L. Wang , J. Chen , Bin Yan

For learning graph representations, not all detailed structures within a graph are relevant to the given graph tasks. Task-relevant structures can be $localized$ or $sparse$ which are only involved in subgraphs or characterized by the…

Machine Learning · Computer Science 2022-06-14 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

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

The recent work ``Combinatorial Optimization with Physics-Inspired Graph Neural Networks'' [Nat Mach Intell 4 (2022) 367] introduces a physics-inspired unsupervised Graph Neural Network (GNN) to solve combinatorial optimization problems on…

Machine Learning · Computer Science 2023-01-04 Maria Chiara Angelini , Federico Ricci-Tersenghi

Admittedly, Graph Convolution Network (GCN) has achieved excellent results on graph datasets such as social networks, citation networks, etc. However, softmax used as the decision layer in these frameworks is generally optimized with…

Machine Learning · Computer Science 2022-07-19 Xuelong Li , Ziheng Jiao , Hongyuan Zhang , Rui Zhang

Graph embedding is an important approach for graph analysis tasks such as node classification and link prediction. The goal of graph embedding is to find a low dimensional representation of graph nodes that preserves the graph information.…

Machine Learning · Computer Science 2019-08-27 Mahsa Ghorbani , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Accurate modeling of the solvent environment for biological molecules is crucial for computational biology and drug design. A popular approach to achieve long simulation time scales for large system sizes is to incorporate the effect of the…

Computational Physics · Physics 2021-08-27 Yaoyi Chen , Andreas Krämer , Nicholas E. Charron , Brooke E. Husic , Cecilia Clementi , Frank Noé

This work develops a distributed graph neural network (GNN) methodology for mesh-based modeling applications using a consistent neural message passing layer. As the name implies, the focus is on enabling scalable operations that satisfy…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-03 Shivam Barwey , Riccardo Balin , Bethany Lusch , Saumil Patel , Ramesh Balakrishnan , Pinaki Pal , Romit Maulik , Venkatram Vishwanath

Graph, as an important data representation, is ubiquitous in many real world applications ranging from social network analysis to biology. How to correctly and effectively learn and extract information from graph is essential for a large…

Machine Learning · Computer Science 2020-10-27 Xiaodong Jiang , Ronghang Zhu , Pengsheng Ji , Sheng Li

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

In recent years, the node classification task in graph neural networks(GNNs) has developed rapidly, driving the development of research in various fields. However, there are a large number of class imbalances in the graph data, and there is…

Machine Learning · Computer Science 2022-10-13 Min Liu , Siwen Jin , Luo Jin , Shuohan Wang , Yu Fang , Yuliang Shi

Learning useful node and graph representations with graph neural networks (GNNs) is a challenging task. It is known that deep GNNs suffer from over-smoothing where, as the number of layers increases, node representations become nearly…

Machine Learning · Computer Science 2022-02-28 Pantelis Elinas , Edwin V. Bonilla

Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…

Machine Learning · Computer Science 2020-11-20 Tao Huang , Yihan Zhang , Jiajing Wu , Junyuan Fang , Zibin Zheng

We propose LIGHTNE 2.0, a cost-effective, scalable, automated, and high-quality network embedding system that scales to graphs with hundreds of billions of edges on a single machine. In contrast to the mainstream belief that distributed…

Social and Information Networks · Computer Science 2023-02-15 Yuyang Xie , Jiezhong Qiu , Laxman Dhulipala , Wenjian Yu , Jie Tang , Richard Peng , Chi Wang

As overparameterized models become increasingly prevalent, training loss alone offers limited insight into generalization performance. While smoothness has been linked to improved generalization across various settings, directly enforcing…

Machine Learning · Computer Science 2025-09-30 Yifan Hao , Yanxin Lu , Hanning Zhang , Xinwei Shen , Tong Zhang

Mesh generation remains a key technology in many areas where numerical simulations are required. As numerical algorithms become more efficient and computers become more powerful, the percentage of time devoted to mesh generation becomes…

Graphics · Computer Science 2022-10-19 Xinhai Chen , Jie Liu , Junjun Yan , Zhichao Wang , Chunye Gong

Enhancing neural networks with knowledge of physical equations has become an efficient way of solving various physics problems, from fluid flow to electromagnetism. Graph neural networks show promise in accurately representing irregularly…

Machine Learning · Computer Science 2022-04-01 Mike Y. Michelis , Robert K. Katzschmann