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Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

Machine Learning · Computer Science 2022-06-06 Yanping Zheng , Hanzhi Wang , Zhewei Wei , Jiajun Liu , Sibo Wang

Distributed Graph Neural Network (GNN) training suffers from substantial communication overhead due to the inherent neighborhood dependency in graph-structured data. This neighbor explosion problem requires workers to frequently exchange…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-27 Zizhao Zhang , Yihan Xue , Haotian Zhu , Sijia Li , Zhijun Wang , Yujie Xiao

We propose a theoretical framework for training Graph Neural Networks (GNNs) on large input graphs via training on small, fixed-size sampled subgraphs. This framework is applicable to a wide range of models, including popular sampling-based…

Machine Learning · Computer Science 2023-10-18 Yeganeh Alimohammadi , Luana Ruiz , Amin Saberi

With the increasing demands of training graph neural networks (GNNs) on large-scale graphs, graph data condensation has emerged as a critical technique to relieve the storage and time costs during the training phase. It aims to condense the…

Machine Learning · Computer Science 2024-06-10 Zhanyu Liu , Chaolv Zeng , Guanjie Zheng

Graph partitioning is the problem of dividing the nodes of a graph into balanced partitions while minimizing the edge cut across the partitions. Due to its combinatorial nature, many approximate solutions have been developed, including…

Machine Learning · Computer Science 2019-03-05 Azade Nazi , Will Hang , Anna Goldie , Sujith Ravi , Azalia Mirhoseini

Effective and efficient graph representation learning is essential for enabling critical downstream tasks, such as node classification, link prediction, and subgraph search. However, existing graph neural network (GNN) architectures often…

Machine Learning · Computer Science 2025-09-24 Sixuan Wang , Jiao Yin , Jinli Cao , MingJian Tang , Hua Wang , Yanchun Zhang

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Machine Learning · Computer Science 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia

As graphs scale to billions of nodes and edges, graph Machine Learning workloads are constrained by the cost of multi-hop traversals over exponentially growing neighborhoods. While various system-level and algorithmic optimizations have…

Machine Learning · Computer Science 2026-03-10 Yuhang Song , Naima Abrar Shami , Romaric Duvignau , Vasiliki Kalavri

Pressure and flow estimation in Water Distribution Networks (WDN) allows water management companies to optimize their control operations. For many years, mathematical simulation tools have been the most common approach to reconstructing an…

Machine Learning · Computer Science 2024-07-11 Huy Truong , Andrés Tello , Alexander Lazovik , Victoria Degeler

Scalability of Graph Neural Networks (GNNs) remains a significant challenge. To tackle this, methods like coarsening, condensation, and computation trees are used to train on a smaller graph, resulting in faster computation. Nonetheless,…

Machine Learning · Computer Science 2026-04-13 Shubhajit Roy , Hrriday Ruparel , Kishan Ved , Anirban Dasgupta

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

Graph neural networks (GNNs) are powerful tools for learning from graph data and are widely used in various applications such as social network recommendation, fraud detection, and graph search. The graphs in these applications are…

Machine Learning · Computer Science 2021-06-14 Jialin Dong , Da Zheng , Lin F. Yang , Geroge Karypis

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

We present a graph bisection and partitioning algorithm based on graph neural networks. For each node in the graph, the network outputs probabilities for each of the partitions. The graph neural network consists of two modules: an embedding…

Machine Learning · Computer Science 2021-12-09 Alice Gatti , Zhixiong Hu , Tess Smidt , Esmond G. Ng , Pieter Ghysels

Graph-based models require aggregating information in the graph from neighbourhoods of different sizes. In particular, when the data exhibit varying levels of smoothness on the graph, a multi-scale approach is required to capture the…

Machine Learning · Computer Science 2022-02-22 Felix L. Opolka , Yin-Cong Zhi , Pietro Liò , Xiaowen Dong

Recently, Graph Neural Network (GNN) has achieved remarkable success in various real-world problems on graph data. However in most industries, data exists in the form of isolated islands and the data privacy and security is also an…

Machine Learning · Computer Science 2021-06-23 Xiang Ni , Xiaolong Xu , Lingjuan Lyu , Changhua Meng , Weiqiang Wang

Graph representation learning is a fundamental research issue and benefits a wide range of applications on graph-structured data. Conventional artificial neural network-based methods such as graph neural networks (GNNs) and variational…

Neural and Evolutionary Computing · Computer Science 2022-11-04 Hanxuan Yang , Ruike Zhang , Qingchao Kong , Wenji Mao

Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

Machine Learning · Computer Science 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li

Machine learning over graphs have been emerging as powerful learning tools for graph data. However, it is challenging for industrial communities to leverage the techniques, such as graph neural networks (GNNs), and solve real-world problems…

Social and Information Networks · Computer Science 2020-03-17 Dalong Zhang , Xin Huang , Ziqi Liu , Zhiyang Hu , Xianzheng Song , Zhibang Ge , Zhiqiang Zhang , Lin Wang , Jun Zhou , Yang Shuang , Yuan Qi