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Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer…

Fluid Dynamics · Physics 2024-06-24 Gurpreet S. Hora , Marco G. Giometto

In this contribution, we develop an efficient surrogate modeling framework for simulation-based optimization of enhanced oil recovery, where we particularly focus on polymer flooding. The computational approach is based on an adaptive…

Numerical Analysis · Mathematics 2022-03-04 Tim Keil , Hendrik Kleikamp , Rolf J Lorentzen , Micheal B Oguntola , Mario Ohlberger

Parametric reduced-order modelling often serves as a surrogate method for hemodynamics simulations to improve the computational efficiency in many-query scenarios or to perform real-time simulations. However, the snapshots of the method…

Computational Engineering, Finance, and Science · Computer Science 2023-10-24 Dongwei Ye , Valeria Krzhizhanovskaya , Alfons G. Hoekstra

Molecular dynamics simulations are powerful tools to extract the microscopic mechanisms characterizing the properties of soft materials. We recently introduced machine learning surrogates for molecular dynamics simulations of soft materials…

Soft Condensed Matter · Physics 2021-10-29 J. C. S. Kadupitiya , Nasim Anousheh , Vikram Jadhao

Data driven approaches have the potential to make modeling complex, nonlinear physical phenomena significantly more computationally tractable. For example, computational modeling of fracture is a core challenge where machine learning…

Machine Learning · Computer Science 2025-10-01 Erfan Hamdi , Emma Lejeune

We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex,…

Optimization and Control · Mathematics 2023-12-27 Rishabh Gupta , Qi Zhang

Accurately predicting the behavior of a nuclear reactor requires multiphysics simulation of coupled neutronics, thermal-hydraulics and fuel thermo-mechanics. The fuel thermo-mechanical response provides essential information for operational…

Computational Engineering, Finance, and Science · Computer Science 2021-04-21 Yifeng Che , Joseph Yurko , Koroush Shirvan

Many glass products require thermoformed geometry with high precision. However, the traditional approach of developing a thermoforming process through trials and errors can cause large waste of time and resources and often end up with…

Computational Engineering, Finance, and Science · Computer Science 2025-05-07 Yuzhou Zhang , Mohan Hua , Jinan Liu , Haihui Ruan

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

Machine Learning · Computer Science 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

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

This work aims to improve fuel chamber injectors' performance in turbofan engines, thus implying improved performance and reduction of pollutants. This requires the development of models that allow real-time prediction and improvement of…

Machine Learning · Computer Science 2023-06-21 León Mata , Rodrigo Abadía-Heredia , Manuel Lopez-Martin , José M. Pérez , Soledad Le Clainche

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make…

Machine Learning · Computer Science 2023-06-13 Binyang Song , Chenyang Yuan , Frank Permenter , Nikos Arechiga , Faez Ahmed

A recent alternative for hydrogen transportation as a mixture with natural gas is blending it into natural gas pipelines. However, hydrogen embrittlement of material is a major concern for scientists and gas installation designers to avoid…

Machine Learning · Computer Science 2023-06-26 Minh Triet Chau , João Lucas de Sousa Almeida , Elie Alhajjar , Alberto Costa Nogueira Junior

Recent advancements in Machine Learning (ML) have substantially improved its predictive and computational abilities, offering promising opportunities for surrogate modeling in scientific applications. By accurately approximating complex…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-28 Zane Fink , Konstantinos Parasyris , Praneet Rathi , Giorgis Georgakoudis , Harshitha Menon , Peer-Timo Bremer

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

Surrogate models for computational simulations are input-output approximations that allow computationally intensive analyses, such as uncertainty propagation and inference, to be performed efficiently. When a simulation output does not…

Computational Engineering, Finance, and Science · Computer Science 2014-08-05 Alex A. Gorodetsky , Youssef M. Marzouk

We present a novel machine learning-based approach to generate fast-executing virtual radiofrequency quadrupole (RFQ) particle accelerators using surrogate modelling. These could potentially be used as on-line feedback tools during beam…

Accelerator Physics · Physics 2021-12-07 Daniel Koser , Loyd Waites , Daniel Winklehner , Matthias Frey , Andreas Adelmann , Janet Conrad

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Machine learning (ML) may improve and automate quality control (QC) in injection moulding manufacturing. As the labelling of extensive, real-world process data is costly, however, the use of simulated process data may offer a first step…

Machine Learning · Computer Science 2022-07-01 Steven Michiels , Cédric De Schryver , Lynn Houthuys , Frederik Vogeler , Frederik Desplentere

Mixed-integer optimization is at the core of many online decision-making systems that demand frequent updates of decisions in real time. However, due to their combinatorial nature, mixed-integer linear programs (MILPs) can be difficult to…

Optimization and Control · Mathematics 2026-04-21 Shivi Dixit , Rishabh Gupta , Qi Zhang