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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

In modern science, computer models are often used to understand complex phenomena, and a thriving statistical community has grown around analyzing them. This review aims to bring a spotlight to the growing prevalence of stochastic computer…

Computational fluid dynamics (CFD) simulations are broadly applied in engineering and physics. A standard description of fluid dynamics requires solving the Navier-Stokes (N-S) equations in different flow regimes. However, applications of…

Computational Engineering, Finance, and Science · Computer Science 2021-12-14 Shen Wang , Mehdi Nikfar , Joshua C. Agar , Yaling Liu

Active learning in computer experiments aims at allocating resources in an intelligent manner based on the already observed data to satisfy certain objectives such as emulating or optimizing a computationally expensive function. There are…

Methodology · Statistics 2025-01-24 Difan Song , V. Roshan Joseph

Active learning of Gaussian process (GP) surrogates has been useful for optimizing experimental designs for physical/computer simulation experiments, and for steering data acquisition schemes in machine learning. In this paper, we develop a…

Machine Learning · Computer Science 2025-09-10 Chiwoo Park , Robert Waelder , Bonggwon Kang , Benji Maruyama , Soondo Hong , Robert Gramacy

Various biological system models have been proposed in systems biology, which are based on the complex biological reactions kinetic of various components. These models are not practical because we lack of kinetic information. In this paper,…

Quantitative Methods · Quantitative Biology 2011-02-19 Weidong Huang , Chundu Wu , Bingjia Xiao , Weidong Xia

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

The never-ending computational demand from simulations of turbulence makes computational fluid dynamics (CFD) a prime application use case for current and future exascale systems. High-order finite element methods, such as the spectral…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-10 Martin Karp , Estela Suarez , Jan H. Meinke , Måns I. Andersson , Philipp Schlatter , Stefano Markidis , Niclas Jansson

Many physics and engineering applications demand Partial Differential Equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven surrogate models provide an…

Machine Learning · Computer Science 2023-12-18 Raphaël Pestourie , Youssef Mroueh , Chris Rackauckas , Payel Das , Steven G. Johnson

Aeroelasticity in the transonic regime is challenging because of the strongly nonlinear phenomena involved in the formation of shock waves and flow separation. In this work, we introduce a computationally efficient framework for accurate…

Fluid Dynamics · Physics 2023-04-17 Nicola Fonzi , Steven L. Brunton , Urban Fasel

We introduce an entirely new class of high-order methods for computational fluid dynamics (CFD) based on the Gaussian Process (GP) family of stochastic functions. Our approach is to use kernel-based GP prediction methods to…

Computational Physics · Physics 2017-05-16 Adam Reyes , Dongwook Lee , Carlo Graziani , Petros Tzeferacos

The computational cost for high energy physics detector simulation in future experimental facilities is going to exceed the current available resources. To overcome this challenge, new ideas on surrogate models using machine learning…

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

Over the last two decades, the science has come a long way from relying on only physical experiments and observations to experimentation using computer simulators. This chapter focusses on the modelling and analysis of data arising from…

Methodology · Statistics 2020-12-22 M. Harshvardhan , Pritam Ranjan

This paper is concerned with probabilistic techniques for forecasting dynamical systems described by partial differential equations (such as, for example, the Navier-Stokes equations). In particular, it is investigating and comparing…

Machine Learning · Computer Science 2025-11-07 Hans Harder , Abhijeet Vishwasrao , Luca Guastoni , Ricardo Vinuesa , Sebastian Peitz

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

The Gaussian process (GP) regression model is a widely employed surrogate modeling technique for computer experiments, offering precise predictions and statistical inference for the computer simulators that generate experimental data.…

Methodology · Statistics 2024-04-02 Lulu Kang , Yuanxing Cheng , Yiwei Wang , Chun Liu

Data assimilation presents computational challenges because many high-fidelity models must be simulated. Various deep-learning-based surrogate modeling techniques have been developed to reduce the simulation costs associated with these…

Machine Learning · Computer Science 2022-12-28 Su Jiang , Louis J. Durlofsky

We present a probabilistic deep learning methodology that enables the construction of predictive data-driven surrogates for stochastic systems. Leveraging recent advances in variational inference with implicit distributions, we put forth a…

Machine Learning · Statistics 2019-01-16 Yibo Yang , Paris Perdikaris

Deep Learning methods have seen a wide range of successful applications across different industries. Up until now, applications to physical simulations such as CFD (Computational Fluid Dynamics), have been limited to simple test-cases of…

Machine Learning · Computer Science 2024-05-20 Giuseppe Bruni , Sepehr Maleki , Senthil K. Krishnababu