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Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data but often struggle on heterophilous graphs, where connected nodes differ in features or class labels. This limitation arises from…

Machine Learning · Computer Science 2025-09-30 Zhongtian Sun , Anoushka Harit , Alexandra Cristea , Christl A. Donnelly , Pietro Liò

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Recently, heterogeneous graph neural networks (HGNNs) have achieved impressive success in representation learning by capturing long-range dependencies and heterogeneity at the node level. However, few existing studies have delved into the…

Machine Learning · Computer Science 2024-04-17 Jinhui Yuan , Shan Lu , Peibo Duan , Jieyue He

With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties, machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics, material…

Machine Learning · Computer Science 2021-09-03 Zun Wang , Chong Wang , Sibo Zhao , Yong Xu , Shaogang Hao , Chang Yu Hsieh , Bing-Lin Gu , Wenhui Duan

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu

Rapid development of big data and high-performance computing have encouraged explosive studies of deep learning in geoscience. However, most studies only take single-type data as input, frittering away invaluable multisource, multi-scale…

Machine Learning · Computer Science 2020-05-19 Zhenyu Yuan , Yuxin Jiang , Jingjing Li , Handong Huang

Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

Machine Learning · Computer Science 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

Scene graph generation (SGG) aims to detect objects and predict their pairwise relationships within an image. Current SGG methods typically utilize graph neural networks (GNNs) to acquire context information between objects/relationships.…

Computer Vision and Pattern Recognition · Computer Science 2022-05-05 Xin Lin , Changxing Ding , Yibing Zhan , Zijian Li , Dacheng Tao

Graph Neural Networks have emerged as the most popular architecture for graph-level learning, including graph classification and regression tasks, which frequently arise in areas such as biochemistry and drug discovery. Achieving good…

Machine Learning · Computer Science 2025-03-04 Lukas Fesser , Melanie Weber

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Machine Learning · Computer Science 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

Message-Passing Neural Networks (MPNNs) are extensively employed in graph learning tasks but suffer from limitations such as the restricted scope of information exchange, by being confined to neighboring nodes during each round of message…

Machine Learning · Computer Science 2024-08-30 Carlos Vonessen , Florian Grötschla , Roger Wattenhofer

This study proposes a novel heterogeneous graph convolutional neural network (HGCNN) to handle complex brain fMRI data at regional and across-region levels. We introduce a generic formulation of spectral filters on heterogeneous graphs by…

Computer Vision and Pattern Recognition · Computer Science 2023-02-24 Jinghan Huang , Moo K. Chung , Anqi Qiu

Heterogeneous graph neural networks (HGNNs) deliver powerful capacity in heterogeneous graph representation learning. The execution of HGNNs is usually accelerated by GPUs. Therefore, characterizing and understanding the execution pattern…

Hardware Architecture · Computer Science 2022-08-10 Mingyu Yan , Mo Zou , Xiaocheng Yang , Wenming Li , Xiaochun Ye , Dongrui Fan , Yuan Xie

Graph Neural Networks (GNNs) have shown remarkable performance in structured data modeling tasks such as node classification. However, mainstream approaches generally rely on a large number of trainable parameters and fixed aggregation…

Machine Learning · Computer Science 2026-02-17 Mingyue Kong , Yinglong Zhang , Chengda Xu , Xuewen Xia , Xing Xu

Next activity prediction represents a fundamental challenge for optimizing business processes in service-oriented architectures such as microservices environments, distributed enterprise systems, and cloud-native platforms, which enables…

Software Engineering · Computer Science 2025-07-04 Jiaxing Wang , Yifeng Yu , Jiahan Song , Bin Cao , Jing Fan , Ji Zhang

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Representing and learning from graphs is essential for developing effective machine learning models tailored to non-Euclidean data. While Graph Neural Networks (GNNs) strive to address the challenges posed by complex, high-dimensional graph…

Quantum Physics · Physics 2025-01-15 Wenxuan Wang

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

As the size of real-world graphs increases, training Graph Neural Networks (GNNs) has become time-consuming and requires acceleration. While previous works have demonstrated the potential of utilizing FPGA for accelerating GNN training, few…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-06 Yi-Chien Lin , Bingyi Zhang , Viktor Prasanna

Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark…

Machine Learning · Computer Science 2020-11-20 Lingfan Yu , Jiajun Shen , Jinyang Li , Adam Lerer
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