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Improving predictive understanding of Earth system variability and change requires data-model integration. Efficient data-model integration for complex models requires surrogate modeling to reduce model evaluation time. However, building a…

Machine Learning · Statistics 2019-01-17 Dan Lu , Daniel Ricciuto

Surface phenomena are increasingly becoming important in exploring nanoscale materials growth and characterization. Consequently, the need for atomistic based simulations is increasing. Nevertheless, relying entirely on quantum mechanical…

Materials Science · Physics 2016-10-18 Venkatesh Botu , James Chapman , Rampi Ramprasad

We propose a supervised machine learning approach for boosting existing signal and image recovery methods and demonstrate its efficacy on example of image reconstruction in computed tomography. Our technique is based on a local nonlinear…

Computer Vision and Pattern Recognition · Computer Science 2013-12-02 Joseph Shtok , Michael Zibulevsky , Michael Elad

The effective contact area in rough surface contact plays a critical role in multi-physics phenomena such as wear, sealing, and thermal or electrical conduction. Although accurate numerical methods, like the Boundary Element Method (BEM),…

Computational Engineering, Finance, and Science · Computer Science 2025-04-25 Tarik Sahin , Jacopo Bonari , Sebastian Brandstaeter , Alexander Popp

Simulation models are widely used in practice to facilitate decision-making in a complex, dynamic and stochastic environment. But they are computationally expensive to execute and optimize, due to lack of analytical tractability. Simulation…

Optimization and Control · Mathematics 2021-06-14 L. Jeff Hong , Xiaowei Zhang

Phase-field models of liquid metal dealloying (LMD) can resolve rich microstructural dynamics but become intractable for large domains or long time horizons. We present a conditionally parameterized, fully convolutional U-Net surrogate that…

Computational Engineering, Finance, and Science · Computer Science 2025-09-26 Christophe Bonneville , Nathan Bieberdorf , Pieterjan Robbe , Mark Asta , Habib N. Najm , Laurent Capolungo , Cosmin Safta

We present the development and integration of a Machine Learning (ML)-based surrogate model, trained on Particle-In-Cell (PIC) simulations of laser-driven plasma wakefield acceleration source of electrons, into Geant4 simulation toolkit.…

Plasma Physics · Physics 2025-03-18 A. Sytov , K. Cassou , V. Kubytskyi , M. Lenivenko , A. Huber

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…

Numerical Analysis · Mathematics 2023-08-04 Nicola Rares Franco , Stefania Fresca , Filippo Tombari , Andrea Manzoni

Diffusion-based inpainting can reconstruct missing image areas with high quality from sparse data, provided that their location and their values are well optimised. This is particularly useful for applications such as image compression,…

Image and Video Processing · Electrical Eng. & Systems 2023-03-24 Pascal Peter , Karl Schrader , Tobias Alt , Joachim Weickert

Surrogate modeling is a powerful methodology in chemical process engineering, frequently employed to accelerate optimization tasks where traditional flowsheet simulators are computationally prohibitive. However, the state-of-the-art is…

Computational Engineering, Finance, and Science · Computer Science 2025-09-30 Martin Bubel , Tobias Seidel , Michael Bortz

Breakthroughs in aerodynamic optimization have made it possible to develop efficient modes of transport with lesser exploitation of valuable resources. This makes it crucial for technical professionals such as engineers and scientists to…

Fluid Dynamics · Physics 2023-11-09 Paras Singh , Harshit Gupta , Ojas Vinayak , Aryan Tyagi

Deep learning surrogate modeling shows great promise for subsurface flow applications, but the training demands can be substantial. Here we introduce a new surrogate modeling framework to predict CO2 saturation, pressure and surface…

Machine Learning · Computer Science 2024-08-21 Yifu Han , Francois P. Hamon , Louis J. Durlofsky

Recent developments in surrogate construction predominantly focused on two strategies to improve surrogate accuracy. Firstly, component-wise domain scaling informed by cross-validation. Secondly, regression to construct response surfaces…

Optimization and Control · Mathematics 2023-04-03 Johann Bouwer , Daniel N. Wilke , Schalk Kok

In this study, we leverage a mixture model learning approach to identify defects in laser-based Additive Manufacturing (AM) processes. By incorporating physics based principles, we also ensure that the model is sensitive to meaningful…

Mathematical Physics · Physics 2025-11-11 Sebastian Basterrech , Shuo Shan , Debabrata Adhikari , Sankhya Mohanty

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

Computer aided engineering of multi-time-scale plasma systems which exhibit a quasi-steady state solution are challenging due to the large number of time steps required to reach convergence. Machine learning techniques combined with…

Plasma Physics · Physics 2025-10-03 Andrew T. Powis , Domenica Corona Rivera , Alexander Khrabry , Igor D. Kaganovich

Coarse-scale surrogate models in the context of numerical homogenization of linear elliptic problems with arbitrary rough diffusion coefficients rely on the efficient solution of fine-scale sub-problems on local subdomains whose solutions…

Numerical Analysis · Mathematics 2022-09-07 Fabian Kröpfl , Roland Maier , Daniel Peterseim

Particle-based shape modeling (PSM) is a popular approach to automatically quantify shape variability in populations of anatomies. The PSM family of methods employs optimization to automatically populate a dense set of corresponding…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Hong Xu , Shireen Y. Elhabian

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training…

Materials Science · Physics 2025-07-30 Mariia Radova , Wojciech G. Stark , Connor S. Allen , Reinhard J. Maurer , Albert P. Bartók

Machine learning models of accelerator systems (`surrogate models') are able to provide fast, accurate predictions of accelerator physics phenomena. However, approaches to date typically do not include measured input diagnostics, such as…

Accelerator Physics · Physics 2021-04-06 Lipi Gupta , Auralee Edelen , Nicole Neveu , Aashwin Mishra , Christopher Mayes , Young-Kee Kim