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We present a fast and scalable framework, leveraging graph neural networks (GNNs) and hierarchical matrix ($\mathcal{H}$-matrix) techniques, for simulating large-scale particulate suspensions, which have broader impacts across science and…

Computational Physics · Physics 2026-01-16 Zhan Ma , Zisheng Ye , Ebrahim Safdarian , Wenxiao Pan

Physics-informed neural networks (PINNs) have lately received significant attention as a representative deep learning-based technique for solving partial differential equations (PDEs). Most fully connected network-based PINNs use automatic…

Machine Learning · Computer Science 2024-09-30 Zixue Xiang , Wei Peng , Wen Yao

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

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

The mechanical properties of periodic microstructures are pivotal in various engineering applications. Homogenization theory is a powerful tool for predicting these properties by averaging the behavior of complex microstructures over a…

Computational Physics · Physics 2025-10-06 Yu Xing , Yang Liu , Lipeng Chen , Huiping Tang , Lin Lu

Graph Neural Networks (GNNs) excel in node classification tasks but often assume homophily, where connected nodes share similar labels. This assumption does not hold in many real-world heterophilic graphs. Existing models for heterophilic…

Machine Learning · Computer Science 2025-10-10 Yumeng Wang , Zengyi Wo , Wenjun Wang , Xingcheng Fu , Minglai Shao

Predicting the dynamic behaviors of particles in suspension subject to hydrodynamic interaction (HI) and external drive can be critical for many applications. By harvesting advanced deep learning techniques, the present work introduces a…

Machine Learning · Computer Science 2022-08-24 Zhan Ma , Zisheng Ye , Wenxiao Pan

Nowadays, it is broadly recognized in the power system community that to meet the ever expanding energy sector's needs, it is no longer possible to rely solely on physics-based models and that reliable, timely and sustainable operation of…

Machine Learning · Computer Science 2022-11-16 Yuzhou Chen , Tian Jiang , Miguel Heleno , Alexandre Moreira , Yulia R. Gel

In recent years, there have been increasing concerns about how geomagnetic disturbances (GMDs) impact electrical power systems. Geomagnetically-induced currents (GICs) can saturate transformers, induce hot spot heating and increase reactive…

Systems and Control · Computer Science 2017-10-06 Mowen Lu , Harsha Nagarajan , Emre Yamangil , Russell Bent , Scott Backhaus , Arthur Barnes

Recent work has demonstrated that geometric deep learning methods such as graph neural networks (GNNs) are well suited to address a variety of reconstruction problems in high energy particle physics. In particular, particle tracking data is…

High Energy Physics - Experiment · Physics 2023-02-07 Gage DeZoort , Savannah Thais , Javier Duarte , Vesal Razavimaleki , Markus Atkinson , Isobel Ojalvo , Mark Neubauer , Peter Elmer

This work addresses the accurate and efficient simulation of physical phenomena governed by parametric Partial Differential Equations (PDEs) characterized by varying boundary conditions, where parametric instances modify not only the…

Numerical Analysis · Mathematics 2026-03-10 Francesco Della Santa , Sandra Pieraccini , Maria Strazzullo

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Social and Information Networks · Computer Science 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Accurate short-term state forecasting is essential for efficient and stable operation of modern power systems, especially in the context of increasing variability introduced by renewable and distributed energy resources. As these systems…

Machine Learning · Computer Science 2026-05-13 Raffael Theiler , Olga Fink

Efficient modeling of jet diffusion during accidental release is critical for operation and maintenance management of hydrogen facilities. Deep learning has proven effective for concentration prediction in gas jet diffusion scenarios.…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Xinqi Zhang , Jihao Shi , Junjie Li , Xinyan Huang , Fu Xiao , Qiliang Wang , Asif Sohail Usmani , Guoming Chen

Geomagnetic disturbances (GMDs), a result of space weather, pose a severe risk to electric grids. When GMDs occur, they can cause geomagnetically-induced currents (GICs), which saturate transformers, induce hot-spot heating, and increase…

Optimization and Control · Mathematics 2020-06-05 Minseok Ryu , Harsha Nagarajan , Russell Bent

This work proposes a Physics-informed Neural Network framework with Graph Embedding (GPINN) to perform PINN in graph, i.e. topological space instead of traditional Euclidean space, for improved problem-solving efficiency. The method…

Machine Learning · Computer Science 2023-06-19 Yuyang Miao , Haolin Li

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

Machine Learning · Computer Science 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

Recent studies have highlighted the limitations of message-passing based graph neural networks (GNNs), e.g., limited model expressiveness, over-smoothing, over-squashing, etc. To alleviate these issues, Graph Transformers (GTs) have been…

Machine Learning · Computer Science 2023-03-06 Qiheng Mao , Zemin Liu , Chenghao Liu , Jianling Sun

A comprehensive understanding of heat transport is essential for optimizing various mechanical and engineering applications, including 3D printing. Recent advances in machine learning, combined with physics-based models, have enabled a…

Machine Learning · Computer Science 2026-03-17 Benjamin Uhrich , Tim Häntschel , Erhard Rahm

Heterogeneous Graph Neural Networks (HGNNs) have gained significant popularity in various heterogeneous graph learning tasks. However, most existing HGNNs rely on spatial domain-based methods to aggregate information, i.e., manually…

Machine Learning · Computer Science 2024-05-08 Mingguo He , Zhewei Wei , Shikun Feng , Zhengjie Huang , Weibin Li , Yu Sun , Dianhai Yu