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Traffic congestion in urban areas presents significant challenges, and Intelligent Transportation Systems (ITS) have sought to address these via automated and adaptive controls. However, these systems often struggle to transfer simulated…

Computer Vision and Pattern Recognition · Computer Science 2023-12-11 Daniel Rodriguez-Criado , Maria Chli , Luis J. Manso , George Vogiatzis

Graph structured data, specifically text-attributed graphs (TAG), effectively represent relationships among varied entities. Such graphs are essential for semi-supervised node classification tasks. Graph Neural Networks (GNNs) have emerged…

Machine Learning · Computer Science 2024-04-18 Kaiwen Dong , Zhichun Guo , Nitesh V. Chawla

Graph Neural Network (GNN) aggregates the neighborhood of each node into the node embedding and shows its powerful capability for graph representation learning. However, most existing GNN variants aggregate the neighborhood information in a…

Machine Learning · Computer Science 2020-10-13 Chengsheng Mao , Liang Yao , Yuan Luo

Heterogeneous Graph Neural Networks (HGNNs), have demonstrated excellent capabilities in processing heterogeneous information networks. Self-supervised learning on heterogeneous graphs, especially contrastive self-supervised strategy, shows…

Machine Learning · Computer Science 2025-06-09 Yanbei Liu , Chongxu Wang , Zhitao Xiao , Lei Geng , Yanwei Pang , Xiao Wang

Optimal transport (OT) compares probability distributions by computing a meaningful alignment between their samples. CO-optimal transport (COOT) takes this comparison further by inferring an alignment between features as well. While this…

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…

Machine Learning · Statistics 2025-05-22 Bastian Epping , Alexandre René , Moritz Helias , Michael T. Schaub

Graphs representation learning has been a very active research area in recent years. The goal of graph representation learning is to generate graph representation vectors that capture the structure and features of large graphs accurately.…

Machine Learning · Computer Science 2022-06-16 Shima Khoshraftar , Aijun An

Graph Neural Networks (GNN) are a promising technique for bridging differential programming and combinatorial domains. GNNs employ trainable modules which can be assembled in different configurations that reflect the relational structure of…

Machine Learning · Computer Science 2018-11-19 Marcelo O. R. Prates , Pedro H. C. Avelar , Henrique Lemos , Luis Lamb , Moshe Vardi

Factors such as the proliferation of renewable energy and electrification contribute to grid congestion as a pressing problem. Topology control is an appealing method for relieving congestion, but traditional approaches for topology…

Machine Learning · Computer Science 2025-10-06 Matthijs de Jong , Jan Viebahn , Yuliya Shapovalova

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

This study delves into the application of graph neural networks in the realm of traffic forecasting, a crucial facet of intelligent transportation systems. Accurate traffic predictions are vital for functions like trip planning, traffic…

Machine Learning · Computer Science 2023-10-30 Razib Hayat Khan , Jonayet Miah , S M Yasir Arafat , M M Mahbubul Syeed , Duc M Ca

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 achieved tremendous success in a variety of real-world applications by relying on the fixed graph data as input. However, the initial input graph might not be optimal in terms of specific downstream tasks,…

Machine Learning · Computer Science 2023-09-22 Beidi Zhao , Boxin Du , Zhe Xu , Liangyue Li , Hanghang Tong

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

We investigate finding a map $g$ within a function class $G$ that minimises an Optimal Transport (OT) cost between a target measure $\nu$ and the image by $g$ of a source measure $\mu$. This is relevant when an OT map from $\mu$ to $\nu$…

Optimization and Control · Mathematics 2025-08-20 Eloi Tanguy , Agnès Desolneux , Julie Delon

Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic…

Materials Science · Physics 2026-04-07 Yuxuan Zeng , Wei Cao , Yijing Zuo , Fang Lyu , Wenhao Xie , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan

Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…

Materials Science · Physics 2023-10-12 Pratik Brahma , Krishnakumar Bhattaram , Sayeef Salahuddin

Optimal transport (OT) is a widely used technique for distribution alignment, with applications throughout the machine learning, graphics, and vision communities. Without any additional structural assumptions on trans-port, however, OT can…

Machine Learning · Computer Science 2021-07-20 Chi-Heng Lin , Mehdi Azabou , Eva L. Dyer

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph…

Quantum Physics · Physics 2022-10-20 Slimane Thabet , Romain Fouilland , Loic Henriet