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Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many…

Numerical simulation of multi-phase fluid dynamics in porous media is critical for many energy and environmental applications in Earth's subsurface. Data-driven surrogate modeling provides computationally inexpensive alternatives to…

Computational Physics · Physics 2024-04-16 Jiamin Jiang , Bo Guo

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make…

Machine Learning · Computer Science 2023-06-13 Binyang Song , Chenyang Yuan , Frank Permenter , Nikos Arechiga , Faez Ahmed

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

This article presents a graph neural network (GNN) based surrogate modeling approach for fluid-acoustic shape optimization. The GNN model transforms mesh-based simulations into a computational graph, enabling global prediction of pressure…

Fluid Dynamics · Physics 2024-12-24 Farnoosh Hadizadeh , Wrik Mallik , Rajeev K. Jaiman

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

Machine Learning · Computer Science 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

During the COVID-19 crisis, mechanistic models have guided evidence-based decision making. However, time-critical decisions in a dynamical environment limit the time available to gather supporting evidence. We address this bottleneck by…

Machine Learning · Computer Science 2026-01-15 Agatha Schmidt , Henrik Zunker , Alexander Heinlein , Martin J. Kühn

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

Machine Learning · Computer Science 2024-02-16 Jonas Kneifl , Jörg Fehr , Steven L. Brunton , J. Nathan Kutz

In engineering design, surrogate models are widely employed to replace computationally expensive simulations by leveraging design variables and geometric parameters from computer-aided design (CAD) models. However, these models often lose…

Machine Learning · Computer Science 2024-06-05 Jangseop Park , Namwoo Kang

Physics-based models are computationally time-consuming and infeasible for real-time scenarios of urban drainage networks, and a surrogate model is needed to accelerate the online predictive modelling. Fully-connected neural networks (NNs)…

Machine Learning · Computer Science 2024-08-02 Zhiyu Zhang , Chenkaixiang Lu , Wenchong Tian , Zhenliang Liao , Zhiguo Yuan

We investigate machine learning approaches to approximating the \emph{domination number} of graphs, the minimum size of a dominating set. Exact computation of this parameter is NP-hard, restricting classical methods to small instances. We…

Machine Learning · Computer Science 2025-11-25 Randy Davila , Beyzanur Ispir

Data-driven surrogate models are increasingly adopted to accelerate vehicle design. However, open-source multi-fidelity datasets and empirical guidelines linking dataset size to model performance remain limited. This study investigates the…

Machine Learning · Computer Science 2026-01-21 Yiren Shen , Juan J. Alonso

Surrogate models for the rapid inference of nonlinear boundary value problems in mechanics are helpful in a broad range of engineering applications. However, effective surrogate modeling of applications involving the contact of deformable…

Computational Engineering, Finance, and Science · Computer Science 2025-07-21 Vijay K. Dubey , Collin E. Haese , Osman Gültekin , David Dalton , Manuel K. Rausch , Jan N. Fuhg

The automotive industry's pursuit of enhanced fuel economy and performance necessitates efficient aerodynamic design. However, traditional evaluation methods such as computational fluid dynamics (CFD) and wind tunnel testing are resource…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Utkarsh Singh , Absaar Ali , Adarsh Roy

The aerodynamic optimization process of cars requires multiple iterations between aerodynamicists and stylists. Response Surface Modeling and Reduced-Order Modeling are commonly used to eliminate the overhead due to Computational Fluid…

Computational Engineering, Finance, and Science · Computer Science 2022-05-26 Sam Jacob Jacob , Markus Mrosek , Carsten Othmer , Harald Köstler

We propose GNN-Surrogate, a graph neural network-based surrogate model to explore the parameter space of ocean climate simulations. Parameter space exploration is important for domain scientists to understand the influence of input…

Atmospheric and Oceanic Physics · Physics 2022-02-23 Neng Shi , Jiayi Xu , Skylar W. Wurster , Hanqi Guo , Jonathan Woodring , Luke P. Van Roekel , Han-Wei Shen

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

Machine Learning · Computer Science 2025-10-30 Alessandro Lucchetti , Francesco Cadini , Marco Giglio , Luca Lomazzi

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Efficiently predicting the flowfield and load in aerodynamic shape optimisation remains a highly challenging and relevant task. Deep learning methods have been of particular interest for such problems, due to their success for solving…

Fluid Dynamics · Physics 2021-06-16 Li-Wei Chen , Berkay Alp Cakal , Xiangyu Hu , Nils Thuerey
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