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Parameter Estimation (PE) and State Estimation (SE) are the most wide-spread tasks in the system engineering. They need to be done automatically, fast and frequently, as measurements arrive. Deep Learning (DL) holds the promise of tackling…

Machine Learning · Computer Science 2021-02-15 Laurent Pagnier , Michael Chertkov

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

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

Large-scale wave field reconstruction requires precise solutions but faces challenges with computational efficiency and accuracy. The physics-based numerical methods like Finite Element Method (FEM) provide high accuracy but struggle with…

Machine Learning · Computer Science 2026-03-04 Huiwen Zhang , Feng Ye , Chu Ma

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

Machine Learning · Computer Science 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li

The accurate representation of numerous physical, chemical, and biological processes relies heavily on differential equations (DEs), particularly nonlinear differential equations (NDEs). While understanding these complex systems…

Numerical Analysis · Mathematics 2025-10-17 Mara Martinez , B. Veena S. N. Rao , S. M. Mallikarjunaiah

Numerical modeling errors are unavoidable in finite element analysis. The presence of model errors inherently reflects both model accuracy and uncertainty. To date there have been few methods for explicitly quantifying errors at points of…

Machine Learning · Computer Science 2024-11-19 Bozhou Zhuang , Sashank Rana , Brandon Jones , Danny Smyl

Graph neural networks (GNNs) are gaining increasing popularity as a promising approach to machine learning on graphs. Unlike traditional graph workloads where each vertex/edge is associated with a scalar, GNNs attach a feature tensor to…

Machine Learning · Computer Science 2020-09-30 Yuwei Hu , Zihao Ye , Minjie Wang , Jiali Yu , Da Zheng , Mu Li , Zheng Zhang , Zhiru Zhang , Yida Wang

Physics-informed neural networks (PINNs) have shown remarkable prospects in solving forward and inverse problems involving partial differential equations (PDEs). However, PINNs still face the challenge of high computational cost in solving…

Fluid Dynamics · Physics 2025-01-22 Jiahao Song , Wenbo Cao , Weiwei Zhang

We introduce the concept of a Graph-Informed Neural Network (GINN), a hybrid approach combining deep learning with probabilistic graphical models (PGMs) that acts as a surrogate for physics-based representations of multiscale and…

Computational Physics · Physics 2021-03-17 Eric J. Hall , Søren Taverniers , Markos A. Katsoulakis , Daniel M. Tartakovsky

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

Graph representation learning has attracted much attention in supporting high quality candidate search at scale. Despite its effectiveness in learning embedding vectors for objects in the user-item interaction network, the computational…

Information Retrieval · Computer Science 2020-03-05 Qiaoyu Tan , Ninghao Liu , Xing Zhao , Hongxia Yang , Jingren Zhou , Xia Hu

Heterogeneous Graph Neural Networks (HGNNs) are powerful tools for deep learning on heterogeneous graphs. Typical HGNNs require repetitive message passing during training, limiting efficiency for large-scale real-world graphs. Recent…

Machine Learning · Computer Science 2024-09-04 Jun Hu , Bryan Hooi , Bingsheng He

Physics-informed machine learning (PIML) has emerged as a promising new approach for simulating complex physical and biological systems that are governed by complex multiscale processes for which some data are also available. In some…

Machine Learning · Computer Science 2022-05-18 Khemraj Shukla , Mengjia Xu , Nathaniel Trask , George Em Karniadakis

We present a methodology combining neural networks with physical principle constraints in the form of partial differential equations (PDEs). The approach allows to train neural networks while respecting the PDEs as a strong constraint in…

Numerical Analysis · Mathematics 2021-09-06 Sebastian K. Mitusch , Simon W. Funke , Miroslav Kuchta

Machine learning methods have a long history of applications in high energy physics (HEP). Recently, there is a growing interest in exploiting these methods to reconstruct particle signatures from raw detector data. In order to benefit from…

High Energy Physics - Phenomenology · Physics 2022-03-17 Javier Duarte , Jean-Roch Vlimant

We present a new Integrated Finite Element Neural Network framework (I-FENN), with the objective to accelerate the numerical solution of nonlinear computational mechanics problems. We leverage the swift predictive capability of neural…

Computational Engineering, Finance, and Science · Computer Science 2022-12-02 Panos Pantidis , Mostafa E. Mobasher

Accurate prediction of structural displacements under external loading is fundamental to structural health monitoring and seismic safety assessment. Although the finite element method (FEM) remains the prevailing approach because of its…

Machine Learning · Computer Science 2026-05-12 Hung-Fu Chang , Tzu-Kang Lin , Yung-Li Cheng

Equivariant Graph Neural Networks (GNNs) have achieved remarkable success across diverse scientific applications. However, existing approaches face critical efficiency challenges when scaling to large geometric graphs and suffer significant…

Machine Learning · Computer Science 2025-06-25 Yuelin Zhang , Jiacheng Cen , Jiaqi Han , Wenbing Huang

In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph.…

Machine Learning · Computer Science 2023-01-02 Ryan Aponte , Ryan A. Rossi , Shunan Guo , Jane Hoffswell , Nedim Lipka , Chang Xiao , Gromit Chan , Eunyee Koh , Nesreen Ahmed