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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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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.…

机器学习 · 计算机科学 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…

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…

分布式、并行与集群计算 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

社会与信息网络 · 计算机科学 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…

机器学习 · 计算机科学 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…

图形学 · 计算机科学 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…

机器学习 · 计算机科学 2022-04-01 Mike Y. Michelis , Robert K. Katzschmann