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Related papers: AI-Powered Surrogate Modelling for Multiscale Comb…

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Surrogate modeling has brought about a revolution in computation in the branches of science and engineering. Backed by Artificial Intelligence, a surrogate model can present highly accurate results with a significant reduction in…

Artificial Intelligence · Computer Science 2022-10-17 Abid Hossain Khan , Salauddin Omar , Nadia Mushtary , Richa Verma , Dinesh Kumar , Syed Alam

Surrogate models provide compact relations between user-defined input parameters and output quantities of interest, enabling the efficient evaluation of complex parametric systems in many-query settings. Such capabilities are essential in a…

Numerical Analysis · Mathematics 2026-03-16 Matteo Giacomini , Pedro Díez

Recent breakthroughs in artificial intelligence (AI) are reshaping the way we construct computational counterparts of the brain, giving rise to a new class of ``surrogate brains''. In contrast to conventional hypothesis-driven biophysical…

Neurons and Cognition · Quantitative Biology 2025-10-14 Yinuo Zhang , Demao Liu , Zhichao Liang , Jiani Cheng , Kexin Lou , Jinqiao Duan , Ting Gao , Bin Hu , Quanying Liu

This work presents a detailed case study on using Generative AI (GenAI) to develop AI surrogates for simulation models in fusion energy research. The scope includes the methodology, implementation, and results of using GenAI to assist in…

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

Accurate and predictive scale-resolving simulations of laser-ignited rocket engines are highly time-consuming because the problem includes turbulent fuel-oxidizer mixing dynamics, laser-induced energy deposition, and high-speed flame…

Machine Learning · Computer Science 2026-03-10 Tony Zahtila , Ettore Saetta , Murray Cutforth , Davy Brouzet , Diego Rossinelli , Gianluca Iaccarino

Agent-based modeling (ABM) is a powerful computational approach for studying complex biological and biomedical systems, yet its widespread use remains limited by significant computational demands. As models become increasingly…

Quantitative Methods · Quantitative Biology 2025-04-17 Kerri-Ann Norton , Daniel Bergman , Harsh Vardhan Jain , Trachette Jackson

The concept of small modular reactor has changed the outlook for tackling future energy crises. This new reactor technology is very promising considering its lower investment requirements, modularity, design simplicity, and enhanced safety…

Systems and Control · Electrical Eng. & Systems 2022-11-09 Md. Shamim Hassan , Abid Hossain Khan , Richa Verma , Dinesh Kumar , Kazuma Kobayashi , Shoaib Usman , Syed Alam

High-speed flight vehicles, which travel much faster than the speed of sound, are crucial for national defense and space exploration. However, accurately predicting their behavior under numerous, varied flight conditions is a challenge and…

Machine Learning · Computer Science 2024-11-07 Tyler E. Korenyi-Both , Nathan J. Falkiewicz , Matthew C. Jones

The simulation of complex systems increasingly relies on sophisticated but fundamentally opaque computational black-box simulators. Surrogate models play a central role in reducing the computational cost of complex systems simulations…

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

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

The computational resources required to solve the full 3D inversion of time-domain electromagnetic data are immense. To overcome the time-consuming 3D simulations, we construct a surrogate model, more precisely, a data-driven statistical…

Geophysics · Physics 2024-07-10 Wouter Deleersnyder , David Dudal , Thomas Hermans

The transition of the power grid requires new technologies and methodologies, which can only be developed and tested in simulations. Especially larger simulation setups with many levels of detail can become quite slow. Therefore, the number…

Signal Processing · Electrical Eng. & Systems 2020-06-23 Stephan Balduin , Tom Westermann , Erika Puiutta

High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Machine Learning · Computer Science 2024-07-15 Pradeep Bajracharya , Javier Quetzalcóatl Toledo-Marín , Geoffrey Fox , Shantenu Jha , Linwei Wang

The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

Chemical Physics · Physics 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

Design and optimization of higher efficiency, lower-emission internal combustion engines are highly dependent on fuel chemistry. Resolving chemistry for complex fuels, like gasoline, is challenging. A solution is to study a fuel surrogate:…

Chemical Physics · Physics 2018-07-23 Shane R. Daly , Kyle E. Niemeyer , William J. Cannella , Christopher L. Hagen

Complex systems are increasingly explored through simulation-driven engineering workflows that combine physics-based and empirical models with optimization and analytics. Despite their power, these workflows face two central obstacles: (1)…

Significant progress has been made on the model development for simulating turbulent reacting flows. As a consequence, we are currently in a position where key-physical aspects of fairly complex combustion processes are well understood at a…

Fluid Dynamics · Physics 2020-12-17 Matthias Ihme
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