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Understanding the dynamic processes of the glassy system continues to be challenging. Recent advances have shown the power of graph neural networks (GNNs) for determining the correlation between structure and dynamics in the glassy system.…

Disordered Systems and Neural Networks · Physics 2023-10-18 Xiao Jiang , Zean Tian , Kenli Li

This study presents a Graph Neural Networks (GNNs)-based approach for predicting the effective elastic moduli of rocks from their digital CT-scan images. We use the Mapper algorithm to transform 3D digital rock images into graph datasets,…

Machine Learning · Computer Science 2024-01-04 Jaehong Chung , Rasool Ahmad , WaiChing Sun , Wei Cai , Tapan Mukerji

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

Modern graph neural networks (GNNs) can be sensitive to changes in the input graph structure and node features, potentially resulting in unpredictable behavior and degraded performance. In this work, we introduce a spectral framework known…

Machine Learning · Computer Science 2024-10-11 Wuxinlin Cheng , Chenhui Deng , Ali Aghdaei , Zhiru Zhang , Zhuo Feng

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

Machine Learning · Computer Science 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

Modern data sources are typically of large scale and multi-modal natures, and acquired on irregular domains, which poses serious challenges to traditional deep learning models. These issues are partially mitigated by either extending…

Machine Learning · Computer Science 2021-03-30 Yao Lei Xu , Kriton Konstantinidis , Danilo P. Mandic

Recently, there has been a growing interest in predicting human motion, which involves forecasting future body poses based on observed pose sequences. This task is complex due to modeling spatial and temporal relationships. The most…

Computer Vision and Pattern Recognition · Computer Science 2023-04-12 Hongwei Ren , Yuhong Shi , Kewei Liang

Graph Neural Networks (GNNs) have been shown to be a powerful tool for generating predictions from biological data. Their application to neuroimaging data such as functional magnetic resonance imaging (fMRI) scans has been limited. However,…

Image and Video Processing · Electrical Eng. & Systems 2021-12-03 Katharina Zühlsdorff , Clayton M. Rabideau

Graph convolutional networks (GCNs) can effectively capture the features of related nodes and improve the performance of the model. More attention is paid to employing GCN in Skeleton-Based action recognition. But existing methods based on…

Computer Vision and Pattern Recognition · Computer Science 2020-12-08 Tingwei Li , Ruiwen Zhang , Qing Li

Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds…

Machine Learning · Computer Science 2022-11-10 Bo Xiong , Shichao Zhu , Nico Potyka , Shirui Pan , Chuan Zhou , Steffen Staab

In this study, we propose a Bayesian seismic tomography inference method using physics-informed neural networks (PINN). PINN represents a recent advance in deep learning, offering the possibility to enhance physics-based simulations and…

Geophysics · Physics 2023-07-19 Ryoichiro Agata , Kazuya Shiraishi , Gou Fujie

We demonstrate the application of mixture density networks (MDNs) in the context of automated radiation therapy treatment planning. It is shown that an MDN can produce good predictions of dose distributions as well as reflect uncertain…

Medical Physics · Physics 2021-07-06 Viktor Nilsson , Hanna Gruselius , Tianfang Zhang , Geert De Kerf , Michaël Claessens

Simulating dynamic physical interactions is a critical challenge across multiple scientific domains, with applications ranging from robotics to material science. For mesh-based simulations, Graph Network Simulators (GNSs) pose an efficient…

Machine Learning · Computer Science 2023-11-10 Philipp Dahlinger , Niklas Freymuth , Michael Volpp , Tai Hoang , Gerhard Neumann

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

Machine Learning · Computer Science 2021-03-30 Mehrnaz Najafi , Philip S. Yu

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Machine Learning · Computer Science 2023-09-01 Guanyu Cui , Zhewei Wei

Graph neural networks (GNN) are a promising tool to predict magnetic properties of large multi-grain structures, which can speed up the search for rare-earth free permanent magnets. In this paper, we use our magnetic simulation data to…

Graph Neural Networks (GNNs) have demonstrated remarkable results in various real-world applications, including drug discovery, object detection, social media analysis, recommender systems, and text classification. In contrast to their vast…

Machine Learning · Computer Science 2026-02-04 Nícolas Roque dos Santos , Dawon Ahn , Diego Minatel , Alneu de Andrade Lopes , Evangelos E. Papalexakis

Due to a high rate of overall data generation relative to data generation of interest, the CMS experiment at the Large Hadron Collider uses a combination of hardware- and software-based triggers to select data for capture. Accurate momentum…

Data Analysis, Statistics and Probability · Physics 2026-03-10 Vishak K Bhat , Eric A. F. Reinhardt , Sergei Gleyzer

Methods based on Deep Learning have recently been applied on astrophysical parameter recovery thanks to their ability to capture information from complex data. One of these methods is the approximate Bayesian Neural Networks (BNNs) which…

Instrumentation and Methods for Astrophysics · Physics 2023-06-21 Héctor J. Hortúa , Luz Ángela García , Leonardo Castañeda C

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Machine Learning · Computer Science 2023-08-21 Maciej Besta , Torsten Hoefler