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Bayesian optimization has been shown to be a powerful tool for solving black box problems during online accelerator optimization. The major advantage of Bayesian based optimization techniques is the ability to include prior information…

Accelerator Physics · Physics 2022-11-17 Connie Xu , Ryan Roussel , Auralee Edelen

Neural networks can be used as surrogates for PDE models. They can be made physics-aware by penalizing underlying equations or the conservation of physical properties in the loss function during training. Current approaches allow to…

Machine Learning · Computer Science 2022-07-01 Raphael Leiteritz , Patrick Buchfink , Bernard Haasdonk , Dirk Pflüger

Solving inverse problems in cardiovascular modeling is particularly challenging due to the high computational cost of running high-fidelity simulations. In this work, we focus on Bayesian parameter estimation and explore different methods…

Machine Learning · Statistics 2025-12-22 Chloe H. Choi , Andrea Zanoni , Daniele E. Schiavazzi , Alison L. Marsden

A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation…

Numerical Analysis · Mathematics 2025-11-04 Matteo Giacomini , Antonio Huerta

Falsification of hybrid dynamical systems remains challenging due to mode-dependent dynamics and discrete transitions. In this work, we propose a surrogate-based falsification approach that enables hybrid systems by learning a…

Systems and Control · Electrical Eng. & Systems 2026-05-11 Lasse Kötz , Knut Åkesson

Agent-based simulators provide granular representations of complex intelligent systems by directly modelling the interactions of the system's constituent agents. Their high-fidelity nature enables hyper-local policy evaluation and testing…

The advent of noisy intermediate-scale quantum computers has put the search for possible applications to the forefront of quantum information science. One area where hopes for an advantage through near-term quantum computers are high is…

Quantum Physics · Physics 2023-09-11 Franz J. Schreiber , Jens Eisert , Johannes Jakob Meyer

Emulating high-accuracy computationally expensive models is crucial for tasks requiring numerous model evaluations, such as uncertainty quantification and optimization. When lower-fidelity models are available, they can be used to improve…

Methodology · Statistics 2024-10-30 Katerina Giannoukou , Stefano Marelli , Bruno Sudret

Building an accurate surrogate model for the spatio-temporal outputs of a computer simulation is a challenging task. A simple approach to improve the accuracy of the surrogate is to cluster the outputs based on similarity and build a…

Machine Learning · Computer Science 2023-07-06 Chandrika Kamath , Juliette S. Franzman

A world model creates a surrogate world to train a controller and predict safety violations by learning the internal dynamic model of systems. However, the existing world models rely solely on statistical learning of how observations change…

Machine Learning · Computer Science 2024-05-06 Zhenjiang Mao , Siqi Dai , Yuang Geng , Ivan Ruchkin

Near-term noisy intermediate-scale quantum circuits can efficiently implement implicit probabilistic models in discrete spaces, supporting distributions that are practically infeasible to sample from using classical means. One of the…

Quantum Physics · Physics 2022-04-07 Ivana Nikoloska , Osvaldo Simeone

Objective: Deep learning-based deformable image registration has achieved strong accuracy, but remains sensitive to variations in input image characteristics such as artifacts, field-of-view mismatch, or modality difference. We aim to…

Computer Vision and Pattern Recognition · Computer Science 2025-09-15 Yihao Liu , Junyu Chen , Lianrui Zuo , Shuwen Wei , Brian D. Boyd , Carmen Andreescu , Olusola Ajilore , Warren D. Taylor , Aaron Carass , Bennett A. Landman

The vision of personalized medicine is to identify interventions that maintain or restore a person's health based on their individual biology. Medical digital twins, computational models that integrate a wide range of health-related data…

Quantitative Methods · Quantitative Biology 2025-10-21 Luis L. Fonseca , Lucas Böttcher , Borna Mehrad , Reinhard C. Laubenbacher

The method of surrogate data provides a framework for testing observed data against a hierarchy of alternative hypotheses. The aim of applying this method is to exclude the possibility that the data are consistent with simple linear…

Chaotic Dynamics · Physics 2007-05-23 Xiaodong Luo , Jie Zhang , Junfeng Sun , Michael Small , Irene Moroz

The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Larissa Schmid , Maximilian Horzela , Valerii Zhyla , Manuel Giffels , Günter Quast , Anne Koziolek

Surrogate models are widely used to approximate complex systems across science and engineering to reduce computational costs. Despite their widespread adoption, the field lacks standardisation across key stages of the modelling pipeline,…

A key requirement for the current generation of artificial decision-makers is that they should adapt well to changes in unexpected situations. This paper addresses the situation in which an AI for aerial dog fighting, with tunable…

Machine Learning · Statistics 2016-12-14 Brett W. Israelsen , Nisar Ahmed , Kenneth Center , Roderick Green , Winston Bennett

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

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

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