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The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…

Machine Learning · Computer Science 2019-01-28 Xi Chen , Mike Hobson

Surrogate neural network-based models have been lately trained and used in a variety of science and engineering applications where the number of evaluations of a target function is limited by execution time. In cell phone camera systems,…

Computational Engineering, Finance, and Science · Computer Science 2022-06-29 Shantanu Shahane , Erman Guleryuz , Diab W Abueidda , Allen Lee , Joe Liu , Xin Yu , Raymond Chiu , Seid Koric , Narayana R Aluru , Placid M Ferreira

Computational Fluid Dynamics (CFD)-driven training combines machine learning (ML) with CFD solvers to develop physically consistent closure models with improved predictive accuracy. In the original framework, each ML-generated candidate…

Machine Learning · Computer Science 2025-12-23 Yuan Fang , Fabian Waschkowski , Maximilian Reissmann , Richard D. Sandberg , Takuo Oda , Koichi Tanimoto

Neural networks have become very popular in surrogate modeling because of their ability to characterize arbitrary, high dimensional functions in a data driven fashion. This paper advocates for the training of surrogates that are consistent…

Machine Learning · Computer Science 2022-06-08 Rushil Anirudh , Jayaraman J. Thiagarajan , Peer-Timo Bremer , Brian K. Spears

As a surrogate for computationally intensive meso-scale simulation of woven composites, this article presents Recurrent Neural Network (RNN) models. Leveraging the power of transfer learning, the initialization challenges and sparse data…

Materials Science · Physics 2024-07-08 Ehsan Ghane , Martin Fagerström , Mohsen Mirkhalaf

Reliable inference of system degradation from sensor data is fundamental to condition monitoring and prognostics in mechanical and infrastructural systems. Since degradation is rarely directly observable and measurable, it must be inferred…

Machine Learning · Computer Science 2026-03-13 Mengjie Zhao , Olga Fink

Recent advances in autoregressive neural surrogate models have enabled orders-of-magnitude speedups in simulating dynamical systems. However, autoregressive models are generally prone to distribution drift: compounding errors in…

Machine Learning · Computer Science 2026-03-19 Qi Liu , Laure Zanna , Joan Bruna

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

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

Traffic forecasting is one of the most popular spatio-temporal tasks in the field of machine learning. A prevalent approach in the field is to combine graph convolutional networks and recurrent neural networks for the spatio-temporal…

Machine Learning · Computer Science 2021-12-08 Jeongwhan Choi , Hwangyong Choi , Jeehyun Hwang , Noseong Park

Neural network based models have emerged as a powerful tool in multiscale modeling of materials. One promising approach is to use a neural network based model, trained using data generated from repeated solution of an expensive small scale…

Applied Physics · Physics 2024-02-21 Yupeng Zhang , Kaushik Bhattacharya

A novel refinement measure for non-intrusive surrogate modelling of partial differential equations (PDEs) with uncertain parameters is proposed. Our approach uses an empirical interpolation procedure, where the proposed refinement measure…

Numerical Analysis · Mathematics 2019-07-10 Yous van Halder , Benjamin Sanderse , Barry Koren

Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…

Materials Science · Physics 2024-10-17 Xinxin Wu , Yin Zhang , Sheng Mao

Multiscale problems are widely observed across diverse domains in physics and engineering. Translating these problems into numerical simulations and solving them using numerical schemes, e.g. the finite element method, is costly due to the…

Inspired by the ubiquitous use of differential equations to model continuous dynamics across diverse scientific and engineering domains, we propose a novel and intuitive approach to continuous sequence modeling. Our method interprets…

Machine Learning · Computer Science 2025-02-03 Macheng Shen , Chen Cheng

Neural networks (NNs) have proven to be a viable alternative to traditional direct numerical algorithms, with the potential to accelerate computational time by several orders of magnitude. In the present paper we study the use of…

Machine Learning · Computer Science 2023-02-09 J. Quetzalcoatl Toledo-Marin , James A. Glazier , Geoffrey Fox

This paper presents a novel methodology that uses surrogate models in the form of neural networks to reduce the computation time of simulation-based optimization of a reference trajectory. Simulation-based optimization is necessary when…

Optimization and Control · Mathematics 2023-03-31 Evelyn Ruff , Rebecca Russell , Matthew Stoeckle , Piero Miotto , Jonathan P. How

We propose a novel Stochastic Differential Equation (SDE) framework to address the problem of learning uncertainty-aware representations for graph-structured data. While Graph Neural Ordinary Differential Equations (GNODEs) have shown…

Machine Learning · Computer Science 2025-09-15 Richard Bergna , Sergio Calvo-Ordoñez , Felix L. Opolka , Pietro Liò , Jose Miguel Hernandez-Lobato

In this paper we address the importance and the impact of employing structure preserving neural networks as surrogate of the analytical physics-based models typically employed to describe the rheology of non-Newtonian fluids in Stokes…

Numerical Analysis · Mathematics 2024-01-17 Nicola Parolini , Andrea Poiatti , Julian Vene' , Marco Verani

Neural networks inspired by differential equations have proliferated for the past several years. Neural ordinary differential equations (NODEs) and neural controlled differential equations (NCDEs) are two representative examples of them. In…

Machine Learning · Computer Science 2021-11-17 Sheo Yon Jhin , Heejoo Shin , Seoyoung Hong , Solhee Park , Noseong Park
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