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The reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of migration barriers in atomistic Kinetic Monte Carlo…

A multi-fidelity (MF) active learning method is presented for design optimization problems characterized by noisy evaluations of the performance metrics. Namely, a generalized MF surrogate model is used for design-space exploration,…

Optimization and Control · Mathematics 2022-07-12 Riccardo Pellegrini , Jeroen Wackers , Riccardo Broglia , Andrea Serani , Michel Visonneau , Matteo Diez

Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer…

Fluid Dynamics · Physics 2024-06-24 Gurpreet S. Hora , Marco G. Giometto

Performing reliability analysis on complex systems is often computationally expensive. In particular, when dealing with systems having high input dimensionality, reliability estimation becomes a daunting task. A popular approach to overcome…

Machine Learning · Statistics 2021-12-22 Navaneeth N. , Souvik Chakraborty

Phase-field simulations of liquid metal dealloying (LMD) can capture complex microstructural evolutions but can be prohibitively expensive for large domains and long time horizons. In this paper, we introduce a fully convolutional,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-10 Christophe Bonneville , Nathan Bieberdorf , Pieterjan Robbe , Mark Asta , Habib Najm , Laurent Capolungo , Cosmin Safta

Modelling rock-fluid interaction requires solving a set of partial differential equations (PDEs) to predict the flow behaviour and the reactions of the fluid with the rock on the interfaces. Conventional high-fidelity numerical models…

High-fidelity numerical simulations of partial differential equations (PDEs) given a restricted computational budget can significantly limit the number of parameter configurations considered and/or time window evaluated for modeling a given…

Machine Learning · Computer Science 2023-09-04 Paolo Conti , Mengwu Guo , Andrea Manzoni , Attilio Frangi , Steven L. Brunton , J. Nathan Kutz

Numerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by computers. Due to complicated nature of the…

Computational Physics · Physics 2021-07-23 Luning Sun , Han Gao , Shaowu Pan , Jian-Xun Wang

Data-driven prediction of fluid flow and temperature distribution in marine and aerospace engineering has received extensive research and demonstrated its potential in real-time prediction recently. However, usually large amounts of…

Fluid Dynamics · Physics 2023-08-02 Yanfang Lyu , Xiaoyu Zhao , Zhiqiang Gong , Xiao Kang , Wen Yao

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik

Operational flood forecasting still relies on high-fidelity two-dimensional hydraulic solvers, but their runtime can be prohibitive for rapid decision support on large urban floodplains. In parallel, AI-based surrogate models have shown…

Machine Learning · Computer Science 2026-04-06 Valentin Mercier , Serge Gratton , Lapeyre Corentin , Gwenaël Chevallet

In this work, an efficient physics-constrained deep learning model is developed for solving multiphase flow in 3D heterogeneous porous media. The model fully leverages the spatial topology predictive capability of convolutional neural…

Geophysics · Physics 2021-05-21 Bicheng Yan , Dylan Robert Harp , Bailian Chen , Rajesh Pawar

Subsurface simulations use computational models to predict the flow of fluids (e.g., oil, water, gas) through porous media. These simulations are pivotal in industrial applications such as petroleum production, where fast and accurate…

Machine Learning · Computer Science 2022-06-16 Tailin Wu , Qinchen Wang , Yinan Zhang , Rex Ying , Kaidi Cao , Rok Sosič , Ridwan Jalali , Hassan Hamam , Marko Maucec , Jure Leskovec

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

Numerical Analysis · Mathematics 2020-03-03 Liang Yan , Tao Zhou

High-fidelity, high-resolution numerical simulations are crucial for studying complex multiscale phenomena in fluid dynamics, such as turbulent flows and ocean waves. However, direct numerical simulations with high-resolution solvers are…

Numerical Analysis · Mathematics 2025-04-14 Wuzhe Xu , Yulong Lu , Lian Shen , Anqing Xuan , Ali Barzegari

Mesh-based numerical solvers are an important part in many design tool chains. However, accurate simulations like computational fluid dynamics are time and resource consuming which is why surrogate models are employed to speed-up the…

Machine Learning · Computer Science 2023-07-27 Sebastian Strönisch , Maximilian Sander , Andreas Knüpfer , Marcus Meyer

Deep-learning-based surrogate models show great promise for use in geological carbon storage operations. In this work we target an important application - the history matching of storage systems characterized by a high degree of (prior)…

Computer Vision and Pattern Recognition · Computer Science 2024-02-05 Yifu Han , Francois P. Hamon , Su Jiang , Louis J. Durlofsky

This article presents an original methodology for the prediction of steady turbulent aerodynamic fields. Due to the important computational cost of high-fidelity aerodynamic simulations, a surrogate model is employed to cope with the…

Fluid Dynamics · Physics 2019-12-05 Romain Dupuis , Jean-Christophe Jouhaud , Pierre Sagaut

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Machine Learning · Computer Science 2024-07-15 Pradeep Bajracharya , Javier Quetzalcóatl Toledo-Marín , Geoffrey Fox , Shantenu Jha , Linwei Wang