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The present article addresses an early-stage attempt on replacing the analyticity-based sink strength terms in rate equations by surrogate models of machine learning representation. Here we emphasise, in the context of multiscale modelling,…

Materials Science · Physics 2021-02-03 Jing Luo , Yong Xin , Zhengcheng Zhou , Yichao Zhu , Xu Guo

With computational models becoming more expensive and complex, surrogate models have gained increasing attention in many scientific disciplines and are often necessary to conduct sensitivity studies, parameter optimization etc. In the…

Methodology · Statistics 2023-07-24 Matthias Fischer , Carsten Proppe

A deep-learning-based surrogate model is developed and applied for predicting dynamic subsurface flow in channelized geological models. The surrogate model is based on deep convolutional and recurrent neural network architectures,…

Machine Learning · Computer Science 2020-05-20 Meng Tang , Yimin Liu , Louis J. Durlofsky

Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing…

Machine Learning · Computer Science 2019-01-30 Oshin Olesegun , Ryan Noraas , Michael Giering , Nagendra Somanath

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Simulations of crystal growth are performed by using Convolutional Recurrent Neural Network surrogate models, trained on a dataset of time sequences computed by numerical integration of Allen-Cahn dynamics including faceting via kinetic…

Materials Science · Physics 2026-04-24 Matteo Rigoni , Daniele Lanzoni , Francesco Montalenti , Roberto Bergamaschini

The electronic structure in matter under extreme conditions is a challenging complex system prevalent in astrophysical objects and highly relevant for technological applications. We show how machine-learning surrogates in terms of neural…

Computational Physics · Physics 2021-04-08 Tobias Dornheim , Zhandos Moldabekov , Attila Cangi

We present a machine-learning strategy for finite element analysis of solid mechanics wherein we replace complex portions of a computational domain with a data-driven surrogate. In the proposed strategy, we decompose a computational domain…

Numerical Analysis · Mathematics 2023-10-24 Eric Parish , Payton Lindsay , Timothy Shelton , John Mersch

A novel approach to expedite design optimization of nonlinear beam dynamics in storage rings is proposed and demonstrated in this study. At each iteration, a neural network surrogate model is used to suggest new trial solutions in a…

Accelerator Physics · Physics 2019-11-01 Faya Wang , Minghao Song , Auralee Edelen , Xiaobiao Huang

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

Concurrent multiscale finite element analysis (FE2) is a powerful approach for high-fidelity modeling of materials for which a suitable macroscopic constitutive model is not available. However, the extreme computational effort associated…

Numerical Analysis · Mathematics 2020-07-16 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

In this work we provide a theoretical framework for structured prediction that generalizes the existing theory of surrogate methods for binary and multiclass classification based on estimating conditional probabilities with smooth convex…

Machine Learning · Computer Science 2019-02-14 Alex Nowak-Vila , Francis Bach , Alessandro Rudi

Cardiovascular modeling has rapidly advanced over the past few decades due to the rising needs for health tracking and early detection of cardiovascular diseases. While 1-D arterial models offer an attractive compromise between…

Process-based hydrologic models are invaluable tools for understanding the terrestrial water cycle and addressing modern water resources problems. However, many hydrologic models are computationally expensive and, depending on the…

Geophysics · Physics 2025-02-11 Timothy Dai , Kate Maher , Zach Perzan

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

Existing deep learning-based surrogate models facilitate efficient data generation, but fall short in uncertainty quantification, efficient parameter space exploration, and reverse prediction. In our work, we introduce SurroFlow, a novel…

Machine Learning · Computer Science 2024-07-19 Jingyi Shen , Yuhan Duan , Han-Wei Shen

Deep learning and model predictive control (MPC) can play complementary roles in legged robotics. However, integrating learned models with online planning remains challenging. When dynamics are learned with neural networks, three key…

Robotics · Computer Science 2026-01-21 Samuel A. Moore , Easop Lee , Boyuan Chen

Driven by the need to accelerate numerical simulations, the use of machine learning techniques is rapidly growing in the field of computational solid mechanics. Their application is especially advantageous in concurrent multiscale finite…

Numerical Analysis · Mathematics 2023-03-22 M. A. Maia , I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

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

We propose a general framework for machine learning based optimization under uncertainty. Our approach replaces the complex forward model by a surrogate, which is learned simultaneously in a one-shot sense when solving the optimal control…

Optimization and Control · Mathematics 2023-12-25 Philipp A. Guth , Claudia Schillings , Simon Weissmann