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In this study, we employ Graph Neural Networks (GNNs) to accelerate the discovery of novel 2D magnetic materials which have transformative potential in spintronics applications. Using data from the Materials Project database and the…

Disordered Systems and Neural Networks · Physics 2024-02-06 Ahmed Elrashidy , James Della-Giustina , Jia-An Yan

The graph neural network (GNN) has been a powerful deep-learning tool in chemistry domain, due to its close connection with molecular graphs. Most GNN models collect and update atom and molecule features from the fed atom (and, in some…

Chemical Physics · Physics 2022-03-18 Yeji Kim , Yoonho Jeong , Jihoo Kim , Eok Kyun Lee , Won June Kim , Insung S. Choi

Convolutional neural networks (CNNs) have massively impacted visual recognition in 2D images, and are now ubiquitous in state-of-the-art approaches. CNNs do not easily extend, however, to data that are not represented by regular grids, such…

Computer Vision and Pattern Recognition · Computer Science 2018-03-29 Nitika Verma , Edmond Boyer , Jakob Verbeek

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

The efficient numerical solution of Non-LTE multilevel transfer problems requires the combination of highly convergent iterative schemes with fast and accurate formal solution methods of the radiative transfer (RT) equation. This…

Astrophysics · Physics 2007-10-30 P. Fabiani Bendicho , J. Trujillo Bueno

In the recent years, the domain of fast flow field prediction has been vastly dominated by pixel-based convolutional neural networks. Yet, the recent advent of graph convolutional neural networks (GCNNs) have attracted a considerable…

Fluid Dynamics · Physics 2021-12-22 Junfeng Chen , Elie Hachem , Jonathan Viquerat

State-of-the-art parametric and non-parametric style transfer approaches are prone to either distorted local style patterns due to global statistics alignment, or unpleasing artifacts resulting from patch mismatching. In this paper, we…

Computer Vision and Pattern Recognition · Computer Science 2023-02-14 Yongcheng Jing , Yining Mao , Yiding Yang , Yibing Zhan , Mingli Song , Xinchao Wang , Dacheng Tao

As an emerging artificial intelligence technology, graph neural networks (GNNs) have exhibited promising performance across a wide range of graph-related applications. However, information exchanges among neighbor nodes in GNN pose new…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-10 Jun Li , Weiwei Zhang , Kang Wei , Guangji Chen , Long Shi , Wen Chen

Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph…

Machine Learning · Computer Science 2021-02-01 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

Graph neural networks (GNNs) have demonstrated great success in representation learning for graph-structured data. The layer-wise graph convolution in GNNs is shown to be powerful at capturing graph topology. During this process, GNNs are…

Machine Learning · Computer Science 2021-12-10 Mingxuan Ju , Shifu Hou , Yujie Fan , Jianan Zhao , Liang Zhao , Yanfang Ye

Effective channel estimation CE is critical for optimizing the performance of 5G New Radio NR systems particularly in dynamic environments where traditional methods struggle with complexity and adaptability This paper introduces GraphNet a…

Signal Processing · Electrical Eng. & Systems 2025-07-15 Sajedeh Norouzi , Mostafa Rahmani , Yi Chu , Torsten Braun , Kaushik Chowdhury , Alister Burr

Graph Neural Networks (GNNs) have emerged as a powerful approach for graph-based machine learning tasks. Previous work applied GNNs to image-derived graph representations for various downstream tasks such as classification or anomaly…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Dehn Xu , Tim Katzke , Emmanuel Müller

To read the final version please go to IEEE TGRS on IEEE Xplore. Convolutional neural networks (CNNs) have been attracting increasing attention in hyperspectral (HS) image classification, owing to their ability to capture spatial-spectral…

Computer Vision and Pattern Recognition · Computer Science 2021-07-07 Danfeng Hong , Lianru Gao , Jing Yao , Bing Zhang , Antonio Plaza , Jocelyn Chanussot

Understanding and predicting interface diffusion phenomena in materials is crucial for various industrial applications, including semiconductor manufacturing, battery technology, and catalysis. In this study, we propose a novel approach…

Materials Science · Physics 2025-01-13 Zirui Zhao , Hai-Feng Li

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

Pattern recognition problems in high energy physics are notably different from traditional machine learning applications in computer vision. Reconstruction algorithms identify and measure the kinematic properties of particles produced in…

We contrasted the performance of deep neural networks - Convolutional Neural Network (CNN) and Graph Neural Network (GNN) - to current state of the art energy regression methods in a finely 3D-segmented calorimeter simulated by GEANT4. This…

Instrumentation and Detectors · Physics 2022-01-05 N. Akchurin , C. Cowden , J. Damgov , A. Hussain , S. Kunori

Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a…

Social and Information Networks · Computer Science 2022-04-06 Johannes Gasteiger , Stefan Weißenberger , Stephan Günnemann

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph…

Computer Vision and Pattern Recognition · Computer Science 2023-07-19 Avishkar Saha , Oscar Mendez , Chris Russell , Richard Bowden

The identification of $\gamma$-rays from the predominant hadronic-background is a key aspect in their ground-based detection using Imaging Atmospheric Cherenkov Telescopes (IACTs). While current methods are limited in their ability to…

High Energy Astrophysical Phenomena · Physics 2025-10-08 Abhay Mehta , Dan Parsons , Tim Lukas Holch , David Berge , Matthias Weidlich
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