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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…

Parametric surrogate models for partial differential equations (PDEs) are a necessary component for many applications in the computational sciences, and convolutional neural networks (CNNs) have proved as an excellent tool to generate these…

Computational Engineering, Finance, and Science · Computer Science 2022-06-13 Jan Niklas Fuhg , Arnav Karmarkar , Teeratorn Kadeethum , Hongkyu Yoon , Nikolaos Bouklas

AI-driven surrogate modeling has become an increasingly effective alternative to physics-based simulations for 3D design, analysis, and manufacturing. These models leverage data-driven methods to predict physical quantities traditionally…

Machine Learning · Computer Science 2025-05-06 Yu-hsuan Chen , Jing Bi , Cyril Ngo Ngoc , Victor Oancea , Jonathan Cagan , Levent Burak Kara

Sparse regression on a library of candidate features has developed as the prime method to discover the partial differential equation underlying a spatio-temporal data-set. These features consist of higher order derivatives, limiting model…

Machine Learning · Computer Science 2021-05-05 Gert-Jan Both , Gijs Vermarien , Remy Kusters

Neural networks (NNs) are often used as surrogates or emulators of partial differential equations (PDEs) that describe the dynamics of complex systems. A virtually negligible computational cost of such surrogates renders them an attractive…

Numerical Analysis · Mathematics 2021-05-04 Dong H. Song , Daniel M. Tartakovsky

Learning data representations under uncertainty is an important task that emerges in numerous scientific computing and data analysis applications. However, uncertainty quantification techniques are computationally intensive and become…

Machine Learning · Computer Science 2025-08-06 Paz Fink Shustin , Shashanka Ubaru , Małgorzata J. Zimoń , Songtao Lu , Vasileios Kalantzis , Lior Horesh , Haim Avron

Many-query problems, arising from uncertainty quantification, Bayesian inversion, Bayesian optimal experimental design, and optimization under uncertainty-require numerous evaluations of a parameter-to-output map. These evaluations become…

Numerical Analysis · Mathematics 2021-03-18 Thomas O'Leary-Roseberry , Umberto Villa , Peng Chen , Omar Ghattas

Deep surrogate models for parametric partial differential equations (PDEs) can deliver high-fidelity approximations but remain prohibitively data-hungry: training often requires thousands of fine-grid simulations, each incurring substantial…

Machine Learning · Computer Science 2026-03-03 Yang Meng , Ruoxi Jiang , Zhuokai Zhao , Chong Liu , Rebecca Willett , Yuxin Chen

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

Modeling the evolution of physical systems is critical to many applications in science and engineering. As the evolution of these systems is governed by partial differential equations (PDEs), there are a number of computational simulations…

Machine Learning · Computer Science 2025-03-17 Bharat Srikishan , Daniel O'Malley , Mohamed Mehana , Nicholas Lubbers , Nikhil Muralidhar

Poroelasticity -- coupled fluid flow and elastic deformation in porous media -- often involves spatially variable permeability, especially in subsurface systems. In such cases, simulations with random permeability fields are widely used for…

Machine Learning · Computer Science 2025-09-16 Sangjoon Park , Yeonjong Shin , Jinhyun Choo

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

Recent developments in mechanical, aerospace, and structural engineering have driven a growing need for efficient ways to model and analyse structures at much larger and more complex scales than before. While established numerical methods…

Machine Learning · Computer Science 2025-07-29 Rui Wu , Nikola Kovachki , Burigede Liu

Derivation of the probability density evolution provides invaluable insight into the behavior of many stochastic systems and their performance. However, for most real-time applica-tions, numerical determination of the probability density…

Machine Learning · Computer Science 2022-07-06 Seid H. Pourtakdoust , Amir H. Khodabakhsh

Solving time-dependent Partial Differential Equations (PDEs) using a densely discretized spatial domain is a fundamental problem in various scientific and engineering disciplines, including modeling climate phenomena and fluid dynamics.…

Machine Learning · Computer Science 2025-10-24 Jan Hagnberger , Daniel Musekamp , Mathias Niepert

We investigate a deep learning approach to efficiently perform Bayesian inference in partial differential equation (PDE) and integral equation models over potentially high-dimensional parameter spaces. The contributions of this paper are…

Numerical Analysis · Mathematics 2021-03-26 Teo Deveney , Eike Mueller , Tony Shardlow

Neural networks have shown promising potential in accelerating the numerical simulation of systems governed by partial differential equations (PDEs). Different from many existing neural network surrogates operating on high-dimensional…

Machine Learning · Computer Science 2025-01-09 Zijie Li , Saurabh Patil , Francis Ogoke , Dule Shu , Wilson Zhen , Michael Schneier , John R. Buchanan, , Amir Barati Farimani

Solving partial differential equations (PDEs) can be prohibitively expensive using traditional numerical methods. Deep learning-based surrogate models typically specialize in a single PDE with fixed parameters. We present a framework for…

Machine Learning · Computer Science 2025-11-14 Qian-Ze Zhu , Paul Raccuglia , Michael P. Brenner

Partial Differential Equations (PDEs) are central to science and engineering. Since solving them is computationally expensive, a lot of effort has been put into approximating their solution operator via both traditional and recently…

Machine Learning · Computer Science 2025-02-14 Alessandro Longhi , Danny Lathouwers , Zoltán Perkó

Design and optimal control problems are among the fundamental, ubiquitous tasks we face in science and engineering. In both cases, we aim to represent and optimize an unknown (black-box) function that associates a performance/outcome to a…

Machine Learning · Computer Science 2021-10-27 Sifan Wang , Mohamed Aziz Bhouri , Paris Perdikaris