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The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

Machine Learning · Computer Science 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

This paper introduces a surrogate modeling scheme based on Grassmannian manifold learning to be used for cost-efficient predictions of high-dimensional stochastic systems. The method exploits subspace-structured features of each solution by…

Numerical Analysis · Mathematics 2020-08-26 Dimitris G. Giovanis , Michael D. Shields

Microfluidics have shown great promise in multiple applications, especially in biomedical diagnostics and separations. While the flow properties of these microfluidic devices can be solved by numerical methods such as computational fluid…

Fluid Dynamics · Physics 2021-05-12 Quang Tuyen Le , Pao-Hsiung Chiu , Chin Chun Ooi

Particle settling in inclined channels is an important phenomenon that occurs during hydraulic fracturing of shale gas production. Generally, in order to accurately simulate the large-scale (field-scale) proppant transport process,…

Fluid Dynamics · Physics 2022-06-14 Pengfei Tang , Junsheng Zeng , Dongxiao Zhang , Heng Li

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

Simulating the complex interactions between soft tissues and rigid anatomy is critical for applications in surgical training, planning, and robotic-assisted interventions. Traditional Finite Element Method (FEM)-based simulations, while…

Robotics · Computer Science 2025-08-05 Xintian Yuan , Yunke Ao , Boqi Chen , Philipp Fuernstahl

This work presents a non-intrusive surrogate modeling scheme based on machine learning technology for predictive modeling of complex systems, described by parametrized time-dependent PDEs. For these problems, typical finite element…

Numerical Analysis · Mathematics 2021-04-26 Stefanos Nikolopoulos , Ioannis Kalogeris , Vissarion Papadopoulos

Machine learning surrogate emulators are needed in engineering design and optimization tasks to rapidly emulate computationally expensive physics-based models. In micromechanics problems the local full-field response variables are desired…

Computational Engineering, Finance, and Science · Computer Science 2024-05-17 Patxi Fernandez-Zelaia , Jason Mayeur , Jiahao Cheng , Yousub Lee , Kevin Knipe , Kai Kadau

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike…

Machine Learning · Computer Science 2021-06-21 Tobias Pfaff , Meire Fortunato , Alvaro Sanchez-Gonzalez , Peter W. Battaglia

Molecular dynamics (MD) simulations are a central tool in science and engineering enabling the study of dynamical behavior and the link between microscopic structure and macroscopic function. Their high computational cost, however, has…

Chemical Physics · Physics 2026-01-22 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels

Graph neural networks (GNNs) naturally align with sparse operators and unstructured discretizations, making them a promising paradigm for physics-informed machine learning in computational mechanics. Motivated by discrete physics losses and…

Machine Learning · Computer Science 2026-02-10 Jianchuan Yang , Xi Chen , Jidong Zhao

We present a method whereby the finite element method is used to train physics-informed neural networks that are suitable for surrogate modeling. The method is based on a custom convolutional operation called stencil convolution which…

Computational Physics · Physics 2024-12-11 Pranav Sunil , Ryan B. Sills

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

Although Finite Element Analysis (FEA) is an integral part of the product design lifecycle, the analysis is computationally expensive, making it unsuitable for many design optimization problems. The deep learning models can be a great…

Machine Learning · Computer Science 2025-10-20 Nayan Kumar Singh

An emerging trend in deep learning research focuses on the applications of graph neural networks (GNNs) for mesh-based continuum mechanics simulations. Most of these learning frameworks operate on graphs wherein each edge connects two…

Fluid Dynamics · Physics 2024-10-08 Rui Gao , Indu Kant Deo , Rajeev K. Jaiman

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based…

Systems and Control · Electrical Eng. & Systems 2024-10-24 Matthew Bossart , Jose Daniel Lara , Ciaran Roberts , Rodrigo Henriquez-Auba , Duncan Callaway , Bri-Mathias Hodge

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

The morphology of nanostructured materials exhibiting a polydisperse porous space, such as aerogels, is very open porous and fine grained. Therefore, a simulation of the deformation of a large aerogel structure resolving the nanostructure…

Numerical Analysis · Mathematics 2024-03-04 Axel Klawonn , Martin Lanser , Lucas Mager , Ameya Rege

High-density through-substrate vias (TSVs) enable 2.5D/3D heterogeneous integration but introduce significant signal-integrity and thermal-reliability challenges due to electrical coupling, insertion loss, and self-heating. Conventional…

Machine Learning · Computer Science 2026-04-01 Mohamed Gharib , Leonid Popryho , Inna Partin-Vaisband