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Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-02 Yi-Chien Lin , Viktor Prasanna

Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual…

Machine Learning · Computer Science 2021-06-25 Shaofei Cai , Liang Li , Jincan Deng , Beichen Zhang , Zheng-Jun Zha , Li Su , Qingming Huang

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…

Machine Learning · Computer Science 2026-02-13 Mohit Meena , Yash Punjabi , Abhishek A , Vishal Sharma , Mahesh Chandran

This paper studies semi-supervised graph classification, which is an important problem with various applications in social network analysis and bioinformatics. This problem is typically solved by using graph neural networks (GNNs), which…

Machine Learning · Computer Science 2022-05-24 Wei Ju , Junwei Yang , Meng Qu , Weiping Song , Jianhao Shen , Ming Zhang

In recent years, Graph Neural Networks (GNNs) have demonstrated strong adaptability to various real-world challenges, with architectures such as Vision GNN (ViG) achieving state-of-the-art performance in several computer vision tasks.…

Computer Vision and Pattern Recognition · Computer Science 2024-10-02 Gabriele Spadaro , Marco Grangetto , Attilio Fiandrotti , Enzo Tartaglione , Jhony H. Giraldo

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

Machine Learning · Computer Science 2026-04-30 Jiahong Wang , Logan Numerow , Stelian Coros , Christian Theobalt , Vahid Babaei , Bernhard Thomaszewski

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the…

Machine Learning · Computer Science 2024-03-12 Yijian Qin , Ziwei Zhang , Xin Wang , Zeyang Zhang , Wenwu Zhu

Equivariant Graph Neural Networks (GNNs) have achieved remarkable success across diverse scientific applications. However, existing approaches face critical efficiency challenges when scaling to large geometric graphs and suffer significant…

Machine Learning · Computer Science 2025-06-25 Yuelin Zhang , Jiacheng Cen , Jiaqi Han , Wenbing Huang

Heterogeneous graphs offer powerful data representations for traffic, given their ability to model the complex interaction effects among a varying number of traffic participants and the underlying road infrastructure. With the recent advent…

Machine Learning · Computer Science 2023-04-25 Eivind Meyer , Maurice Brenner , Bowen Zhang , Max Schickert , Bilal Musani , Matthias Althoff

Incorporating symmetry as an inductive bias into neural network architecture has led to improvements in generalization, data efficiency, and physical consistency in dynamics modeling. Methods such as CNNs or equivariant neural networks use…

Machine Learning · Computer Science 2022-06-17 Rui Wang , Robin Walters , Rose Yu

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Graph Neural Networks (GNNs) have recently gained traction in transportation, bioinformatics, language and image processing, but research on their application to supply chain management remains limited. Supply chains are inherently…

Machine Learning · Computer Science 2025-06-24 Azmine Toushik Wasi , MD Shafikul Islam , Adipto Raihan Akib , Mahathir Mohammad Bappy

In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not…

Machine Learning · Computer Science 2021-10-28 Eli Chien , Jianhao Peng , Pan Li , Olgica Milenkovic

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

Machine Learning · Computer Science 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graph neural networks (GNNs) have shown promising performance in solving both Boolean satisfiability (SAT) and Maximum Satisfiability (MaxSAT) problems due to their ability to efficiently model and capture the structural dependencies…

Machine Learning · Computer Science 2025-04-17 Qiyue Chen , Shaolin Tan , Suixiang Gao , Jinhu Lü