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This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the…

Machine Learning · Computer Science 2024-01-05 Farhad Pourkamali-Anaraki , Jamal F. Husseini , Evan J. Pineda , Brett A. Bednarcyk , Scott E. Stapleton

Generating simulated training data needed for constructing sufficiently accurate surrogate models to be used for efficient optimization or parameter identification can incur a huge computational effort in the offline phase. We consider a…

Numerical Analysis · Mathematics 2024-04-03 Phillip Semler , Martin Weiser

Aerodynamic surrogate models are increasingly used to replace repeated high-fidelity CFD evaluations in many-query design settings, but current approaches still face two important limitations: they often scale poorly to the very large…

The performance of machine learning surrogates is critically dependent on data quality and quantity. This presents a major challenge, as high-fidelity (HF) data is often scarce and computationally expensive to acquire, while low-fidelity…

Machine Learning · Computer Science 2026-02-03 Jice Zeng , David Barajas-Solano , Hui Chen

Fast inference of numerical model parameters from data is an important prerequisite to generate predictive models for a wide range of applications. Use of sampling-based approaches such as Markov chain Monte Carlo may become intractable…

Machine Learning · Computer Science 2022-08-10 Yu Wang , Fang Liu , Daniele E. Schiavazzi

The computational burden of running a complex computer model can make optimization impractical. Gaussian Processes (GPs) are statistical surrogates (also known as emulators) that alleviate this issue since they cheaply replace the computer…

Computation · Statistics 2019-09-11 Theodoros Mathikolonis , Serge Guillas

AI accelerator processing capabilities and memory constraints largely dictate the scale in which machine learning workloads (e.g., training and inference) can be executed within a desirable time frame. Training a state of the art,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-12 Michael Benington , Leo Phan , Chris Pierre Paul , Evan Shoemaker , Priyanka Ranade , Torstein Collett , Grant Hodgson Perez , Christopher Krieger

Addressing real-world optimization challenges requires not only advanced metaheuristics but also continuous refinement of their internal mechanisms. This paper explores the integration of machine learning in the form of neural surrogate…

Neural and Evolutionary Computing · Computer Science 2026-03-31 Tomohiro Harada , Enrique Alba , Gabriel Luque

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

Every computer model depends on numerical input parameters that are chosen according to mostly conservative but rigorous numerical or empirical estimates. These parameters could for example be the step size for time integrators, a seed for…

Computational Physics · Physics 2020-09-11 Matthias Frey , Andreas Adelmann

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

Machine Learning · Statistics 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

Evolutionary algorithms are increasingly recognised as a viable computational approach for the automated optimisation of deep neural networks (DNNs) within artificial intelligence. This method extends to the training of DNNs, an approach…

Neural and Evolutionary Computing · Computer Science 2024-03-29 Fergal Stapleton , Brendan Cody-Kenny , Edgar Galván

This paper presents a particle swarm optimization algorithm that leverages surrogate modeling to replace the conventional global best solution with the minimum of an n-dimensional quadratic form, providing a better-conditioned dynamic…

Neural and Evolutionary Computing · Computer Science 2026-03-19 Maurizio Clemente , Marcello Canova

The use of high-fidelity computational simulations promises to enable high-throughput hypothesis testing and optimisation of cancer therapies. However, increasing realism comes at the cost of increasing computational requirements. This…

Neural and Evolutionary Computing · Computer Science 2022-12-05 Richard J. Preen , Larry Bull , Andrew Adamatzky

Metasurfaces offer a flexible framework for the manipulation of light properties in the realm of thin film optics. Specifically, the polarization of light can be effectively controlled through the use of thin phase plates. This study aims…

Machine learning has emerged as a promising approach for estimating material parameters in solar cells. Traditional methods for parameter extraction often rely on time-consuming numerical simulations that fail to capture the full complexity…

Materials Science · Physics 2025-06-17 Eunchi Kim , Paula Hartnagel , Barbara Urbano , Leonard Christen , Thomas Kirchartz

We investigate the effectiveness of a simple solution to the common problem of deep learning in medical image analysis with limited quantities of labeled training data. The underlying idea is to assign artificial labels to abundantly…

Computer Vision and Pattern Recognition · Computer Science 2019-01-28 Nima Tajbakhsh , Yufei Hu , Junli Cao , Xingjian Yan , Yi Xiao , Yong Lu , Jianming Liang , Demetri Terzopoulos , Xiaowei Ding

Modeling of laser-plasma wakefield accelerators in an optimal frame of reference \cite{VayPRL07} is shown to produce orders of magnitude speed-up of calculations from first principles. Obtaining these speedups requires mitigation of a…

Accelerator Physics · Physics 2015-05-19 J. -L. Vay , C. G. R. Geddes , E. Cormier-Michel , D. P. Grote

In recent years, there has been an increasing need for Nuclear Power Plants (NPPs) to improve flexibility in order to match the rapid growth of renewable energies. The Operator Assistance Predictive System (OAPS) developed by Framatome…

Machine Learning · Computer Science 2026-03-26 Perceval Beja-Battais , Alain Grossetête , Nicolas Vayatis

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