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Designing effective graph neural networks (GNNs) with message passing has two fundamental challenges, i.e., determining optimal message-passing pathways and designing local aggregators. Previous methods of designing optimal pathways are…

机器学习 · 计算机科学 2024-11-01 Junshu Sun , Shuhui Wang , Chenxue Yang , Qingming Huang

Graph Neural Networks (GNNs) have shown remarkable merit in performing various learning-based tasks in complex networks. The superior performance of GNNs often correlates with the availability and quality of node-level features in the input…

社会与信息网络 · 计算机科学 2023-10-20 Anwar Said , Mudassir Shabbir , Tyler Derr , Waseem Abbas , Xenofon Koutsoukos

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…

机器学习 · 计算机科学 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

Graph neural networks (GNNs) have been widely used for representation learning on graph data. However, there is limited understanding on how much performance GNNs actually gain from graph data. This paper introduces a context-surrounding…

机器学习 · 计算机科学 2022-06-28 Yifan Hou , Jian Zhang , James Cheng , Kaili Ma , Richard T. B. Ma , Hongzhi Chen , Ming-Chang Yang

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

信号处理 · 电气工程与系统科学 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

Graph Convolutional Networks (GCNs), particularly for large-scale graphs, are crucial across numerous domains. However, training distributed full-batch GCNs on large-scale graphs suffers from inefficient memory access patterns and high…

分布式、并行与集群计算 · 计算机科学 2025-05-27 Chen Zhuang , Lingqi Zhang , Du Wu , Peng Chen , Jiajun Huang , Xin Liu , Rio Yokota , Nikoli Dryden , Toshio Endo , Satoshi Matsuoka , Mohamed Wahib

Graph Neural Networks (GNNs) have advanced spatiotemporal forecasting by leveraging relational inductive biases among sensors (or any other measuring scheme) represented as nodes in a graph. However, current methods often rely on Recurrent…

机器学习 · 计算机科学 2024-05-30 Aref Einizade , Fragkiskos D. Malliaros , Jhony H. Giraldo

The integration of Spiking Neural Networks (SNNs) and Graph Neural Networks (GNNs) is gradually attracting attention due to the low power consumption and high efficiency in processing the non-Euclidean data represented by graphs. However,…

神经与进化计算 · 计算机科学 2025-07-15 Nan Yin , Mengzhu Wang , Zhenghan Chen , Giulia De Masi , Bin Gu , Huan Xiong

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

无序系统与神经网络 · 物理学 2026-02-23 O. Duranthon , L. Zdeborová

Graph neural networks (GNNs) have emerged as powerful tools for processing relational data in applications. However, GNNs suffer from the problem of oversmoothing, the property that the features of all nodes exponentially converge to the…

机器学习 · 统计学 2025-05-22 Bastian Epping , Alexandre René , Moritz Helias , Michael T. Schaub

Graph neural networks operate on graph-structured data via exchanging messages along edges. One limitation of this message passing paradigm is the over-squashing problem. Over-squashing occurs when messages from a node's expanded receptive…

机器学习 · 计算机科学 2023-11-15 Thomas Christie , Yu He

While message passing Graph Neural Networks (GNNs) have become increasingly popular architectures for learning with graphs, recent works have revealed important shortcomings in their expressive power. In response, several higher-order GNNs…

机器学习 · 计算机科学 2025-02-28 Behrooz Tahmasebi , Derek Lim , Stefanie Jegelka

The increasing prevalence of large-scale graphs poses a significant challenge for graph neural network training, attributed to their substantial computational requirements. In response, graph condensation (GC) emerges as a promising…

机器学习 · 计算机科学 2025-01-24 Xinyi Gao , Guanhua Ye , Tong Chen , Wentao Zhang , Junliang Yu , Hongzhi Yin

Graph Neural Networks (GNNs) are the predominant technique for learning over graphs. However, there is relatively little understanding of why GNNs are successful in practice and whether they are necessary for good performance. Here, we show…

机器学习 · 计算机科学 2020-11-04 Qian Huang , Horace He , Abhay Singh , Ser-Nam Lim , Austin R. Benson

Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN…

机器学习 · 计算机科学 2026-03-24 Zhihui Tian , Ethan Suwandi , Tomas Oppelstrup , Vasily V. Bulatov , Joel B. Harley , Fei Zhou

Biological spiking neurons with intrinsic dynamics underlie the powerful representation and learning capabilities of the brain for processing multimodal information in complex environments. Despite recent tremendous progress in spiking…

神经与进化计算 · 计算机科学 2021-07-15 Mingkun Xu , Yujie Wu , Lei Deng , Faqiang Liu , Guoqi Li , Jing Pei

Predicting the labels of graph-structured data is crucial in scientific applications and is often achieved using graph neural networks (GNNs). However, when data is scarce, GNNs suffer from overfitting, leading to poor performance.…

机器学习 · 计算机科学 2025-05-19 Mathieu Alain , So Takao , Xiaowen Dong , Bastian Rieck , Emmanuel Noutahi

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

机器学习 · 计算机科学 2021-01-07 Kenta Oono , Taiji Suzuki

Crystal graph neural networks predict materials properties by propagating information through local atomic environments. In conventional crystal graph convolutional neural networks (CGCNNs), this propagation depth is increased by stacking…

材料科学 · 物理学 2026-05-18 Satadeep Bhattacharjee

Graph convolutional networks (GCNs) suffer from the irregularity of graphs, while more widely-used convolutional neural networks (CNNs) benefit from regular grids. To bridge the gap between GCN and CNN, in contrast to previous works on…

机器学习 · 计算机科学 2019-09-30 Yecheng Lyu , Xinming Huang , Ziming Zhang