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In heterophilic graphs, where neighboring nodes often belong to different classes, conventional Graph Neural Networks (GNNs) struggle due to their reliance on local homophilous neighborhoods. Prior studies suggest that modeling edge…

Machine Learning · Computer Science 2025-09-03 Arman Gupta , Govind Waghmare , Gaurav Oberoi , Nitish Srivastava

Graph Neural Networks (GNNs) have proven to be highly effective for node classification tasks across diverse graph structural patterns. Traditionally, GNNs employ a uniform global filter, typically a low-pass filter for homophilic graphs…

Machine Learning · Computer Science 2024-06-06 Haoyu Han , Juanhui Li , Wei Huang , Xianfeng Tang , Hanqing Lu , Chen Luo , Hui Liu , Jiliang Tang

Recently, machine learning (ML) has been used to address the computational cost that has been limiting ab initio molecular dynamics (AIMD). Here, we present GNNFF, a graph neural network framework to directly predict atomic forces from…

We present a method based on graph neural network (GNN) for prediction of probabilities of usage of shopping-mall corridors. The heterogeneous graph network of shops and corridor paths are obtained from floorplans of the malls by creating…

Machine Learning · Computer Science 2025-04-11 Malik M Barakathullah , Immanuel Koh

Estimating the shortest travel time and providing route recommendation between different locations in a city or region can quantitatively measure the conditions of the transportation network during or after extreme events. One common…

Machine Learning · Computer Science 2025-01-20 Tong Liu , Hadi Meidani

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

Graph Neural Networks (GNNs) have gained growing interest in miscellaneous applications owing to their outstanding ability in extracting latent representation on graph structures. To render GNN-based service for IoT-driven smart…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-06 Liekang Zeng , Xu Chen , Peng Huang , Ke Luo , Xiaoxi Zhang , Zhi Zhou

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang

Graph Nerual Networks (GNNs) are effective models in graph embedding. It extracts shallow features and neighborhood information by aggregating neighbor information to learn the embedding representation of different nodes. However, the local…

Social and Information Networks · Computer Science 2023-12-14 Kejia Zhang

Traditional Graph Neural Networks (GNNs) rely on message passing, which amounts to permutation-invariant local aggregation of neighbour features. Such a process is isotropic and there is no notion of `direction' on the graph. We present a…

Machine Learning · Computer Science 2022-05-03 Ahmed A. A. Elhag , Gabriele Corso , Hannes Stärk , Michael M. Bronstein

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

Graph Neural Networks (GNNs), originally proposed for node classification, have also motivated many recent works on edge prediction (a.k.a., link prediction). However, existing methods lack elaborate design regarding the distinctions…

Machine Learning · Computer Science 2024-01-24 Jiarui Jin , Yangkun Wang , Weinan Zhang , Quan Gan , Xiang Song , Yong Yu , Zheng Zhang , David Wipf

Accurate prediction of network-wide traffic conditions is essential for intelligent transportation systems. In the last decade, machine learning techniques have been widely used for this task, resulting in state-of-the-art performance. We…

Machine Learning · Computer Science 2021-11-23 Lei Lin , Weizi Li , Lei Zhu

Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriad graph analytic tasks and applications. Most GNNs rely on the homophily assumption that nodes belonging to the same class are more…

Machine Learning · Computer Science 2026-04-21 Xin Zheng , Yi Wang , Yixin Liu , Ming Li , Miao Zhang , Di Jin , Philip S. Yu , Shirui Pan

Forecasting electricity demand is increasingly challenging as energy systems become more decentralized and intertwined with renewable sources. Graph Neural Networks (GNNs) have recently emerged as a powerful paradigm to model spatial…

Machine Learning · Computer Science 2025-11-04 Eloi Campagne , Yvenn Amara-Ouali , Yannig Goude , Itai Zehavi , Argyris Kalogeratos

A common observation in the Graph Convolutional Network (GCN) literature is that stacking GCN layers may or may not result in better performance on tasks like node classification and edge prediction. We have found empirically that a graph's…

Machine Learning · Computer Science 2025-09-11 Shalima Binta Manir , Tim Oates

This paper designs a graph neural network (GNN) to improve bandwidth allocations for multiple legitimate wireless users transmitting to a base station in the presence of an eavesdropper. To improve the privacy and prevent eavesdropping…

Information Theory · Computer Science 2023-12-27 Xin Hao , Phee Lep Yeoh , Yuhong Liu , Changyang She , Branka Vucetic , Yonghui Li

Graph Neural Networks (GNNs) have achieved remarkable performance in modeling graphs for various applications. However, most existing GNNs assume the graphs exhibit strong homophily in node labels, i.e., nodes with similar labels are…

Machine Learning · Computer Science 2023-02-20 Enyan Dai , Shijie Zhou , Zhimeng Guo , Suhang Wang

Previous AutoML pruning works utilized individual layer features to automatically prune filters. We analyze the correlation for two layers from the different blocks which have a short-cut structure. It shows that, in one block, the deeper…

Computer Vision and Pattern Recognition · Computer Science 2021-09-24 Mingyang Zhang , Xinyi Yu , Jingtao Rong , Linlin Ou

The increasing scale of alternating current and direct current (AC/DC) hybrid systems necessitates a faster power flow analysis tool than ever. This letter thus proposes a specific physics-guided graph neural network (PG-GNN). The tailored…

Systems and Control · Electrical Eng. & Systems 2023-05-02 Mei Yang , Gao Qiu , Yong Wu , Junyong Liu , Nina Dai , Yue Shui , Kai Liu , Lijie Ding
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