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Gaussian process surrogates are a popular alternative to directly using computationally expensive simulation models. When the simulation output consists of many responses, dimension-reduction techniques are often employed to construct these…

Methodology · Statistics 2023-05-04 Moses Y-H. Chan , Matthew Plumlee , Stefan M. Wild

Determining the proper level of details to develop and solve physical models is usually difficult when one encounters new engineering problems. Such difficulty comes from how to balance the time (simulation cost) and accuracy for the…

Artificial Intelligence · Computer Science 2022-02-03 Randi Wang , Morad Behandish

Radio-Frequency Quadrupoles (RFQs) are multi-purpose linear particle accelerators that simultaneously bunch and accelerate charged particle beams. They are ubiquitous in accelerator physics, especially as injectors to higher-energy…

Computational Physics · Physics 2024-03-18 Joshua Villarreal , Daniel Winklehner , Daniel Koser , Janet Marie Conrad

With computational models becoming more expensive and complex, surrogate models have gained increasing attention in many scientific disciplines and are often necessary to conduct sensitivity studies, parameter optimization etc. In the…

Methodology · Statistics 2023-07-24 Matthias Fischer , Carsten Proppe

Using a cyclotron based model problem, we demonstrate for the first time the applicability and usefulness of a uncertainty quantification (UQ) approach in order to construct surrogate models for quantities such as emittance, energy spread…

Accelerator Physics · Physics 2018-12-13 Andreas Adelmann

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

Surrogate models have shown to be an extremely efficient aid in solving engineering problems that require repeated evaluations of an expensive computational model. They are built by sparsely evaluating the costly original model and have…

Machine Learning · Statistics 2022-12-01 M. Moustapha , B. Sudret

The assessment of safety performance plays a pivotal role in the development and deployment of connected and automated vehicles (CAVs). A common approach involves designing testing scenarios based on prior knowledge of CAVs (e.g., surrogate…

Systems and Control · Electrical Eng. & Systems 2024-03-01 Jingxuan Yang , Ruoxuan Bai , Haoyuan Ji , Yi Zhang , Jianming Hu , Shuo Feng

The schemes for the generation of surrogate data in order to test the null hypothesis of linear stochastic process undergoing nonlinear static transform are investigated as to their consistency in representing the null hypothesis. In…

Data Analysis, Statistics and Probability · Physics 2009-10-31 D. Kugiumtzis

Stochastic inverse problems are generally solved by some form of finite sampling of a space of uncertain parameters. For computationally expensive models, surrogate response surfaces are often employed to increase the number of samples used…

Numerical Analysis · Mathematics 2018-07-04 Steven Mattis , Barbara Wohlmuth

The polynomial chaos (PC) expansion has been widely used as a surrogate model in the Bayesian inference to speed up the Markov chain Monte Carlo (MCMC) calculations. However, the use of a PC surrogate introduces the modeling error, that may…

Numerical Analysis · Mathematics 2019-02-20 Liang Yan , Tao Zhou

Machine learning surrogates are increasingly used in engineering to accelerate costly simulations, yet distribution shifts between training and deployment often cause severe performance degradation (e.g., unseen geometries or…

Machine Learning · Computer Science 2026-02-18 Anna Zimmel , Paul Setinek , Gianluca Galletti , Johannes Brandstetter , Werner Zellinger

Accurate machine-learning models for aerodynamic prediction are essential for accelerating shape optimization, yet remain challenging to develop for complex three-dimensional configurations due to the high cost of generating training data.…

Machine Learning · Computer Science 2026-04-21 Yunjia Yang , Babak Gholami , Caglar Gurbuz , Mohammad Rashed , Nils Thuerey

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Neural surrogates enable orders-of-magnitude acceleration of computational fluid dynamics (CFD) simulations, with the potential to transform engineering and healthcare workflows. Neural surrogate use in real-world applications requires…

Machine Learning · Computer Science 2026-05-20 Patryk Rygiel , Julian Suk , Kak Khee Yeung , Christoph Brune , Jelmer M. Wolterink

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

Surrogate modeling is an essential data-driven technique for quantifying relationships between input variables and system responses in manufacturing and engineering systems. Two major challenges limit its effectiveness: (1) large data…

Machine Learning · Computer Science 2026-03-11 Manan Mehta , Zhiqiao Dong , Yuhang Yang , Chenhui Shao

To date, the analysis of high-dimensional, computationally expensive engineering models remains a difficult challenge in risk and reliability engineering. We use a combination of dimensionality reduction and surrogate modelling termed…

Computation · Statistics 2022-06-20 Max Ehre , Iason Papaioannou , Bruno Sudret , Daniel Straub

Thanks to computing power increase, the certification and the conception of complex systems relies more and more on simulation. To this end, predictive codes are needed, which have generally to be evaluated in a huge number of input points.…

Methodology · Statistics 2017-12-06 Sophie Marque-Pucheu , Guillaume Perrin , Josselin Garnier

Current generative models for drug discovery primarily use molecular docking as an oracle to guide the generation of active compounds. However, such models are often not useful in practice because even compounds with high docking scores do…

Machine Learning · Computer Science 2025-06-11 Peter Eckmann , Dongxia Wu , Germano Heinzelmann , Michael K. Gilson , Rose Yu
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