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In the quest for advanced propulsion and power-generation systems, high-fidelity simulations are too computationally expensive to survey the desired design space, and a new design methodology is needed that combines engineering physics,…

Gravitational waveform templates are a key ingredient for the detection and characterization of gravitational waves emitted by compact binary mergers in the universe. These templates must be physically accurate and extensive, but also…

General Relativity and Quantum Cosmology · Physics 2026-04-17 Christopher Whittall , Geraint Pratten

This work is in the context of blackbox optimization where the functions defining the problem are expensive to evaluate and where no derivatives are available. A tried and tested technique is to build surrogates of the objective and the…

Optimization and Control · Mathematics 2022-08-18 Charles Audet , Sébastien Le Digabel , Renaud Saltet

We present a method to quantify uncertainty in the predictions made by simulations of mathematical models that can be applied to a broad class of stochastic, discrete, and differential equation models. Quantifying uncertainty is crucial for…

Machine Learning · Statistics 2015-03-05 Kyle S. Hickmann , James M. Hyman , Sara Y. Del Valle

Fast surrogate models for expensive simulations are now essential across the sciences, yet they typically operate as black boxes. We present \texttt{GWAgent}, a large language model (LLM)-based workflow that constructs interpretable…

General Relativity and Quantum Cosmology · Physics 2026-05-13 Tousif Islam , Digvijay Wadekar , Tejaswi Venumadhav , Matias Zaldarriaga , Ajit Kumar Mehta , Javier Roulet , Barak Zackay

Existing deep learning-based surrogate models facilitate efficient data generation, but fall short in uncertainty quantification, efficient parameter space exploration, and reverse prediction. In our work, we introduce SurroFlow, a novel…

Machine Learning · Computer Science 2024-07-19 Jingyi Shen , Yuhan Duan , Han-Wei Shen

We propose an efficient surrogate modeling technique for uncertainty quantification. The method is based on a well-known dimension-adaptive collocation scheme. We improve the scheme by enhancing sparse polynomial surrogates with conformal…

Computational Engineering, Finance, and Science · Computer Science 2020-05-20 Niklas Georg , Dimitrios Loukrezis , Ulrich Römer , Sebastian Schöps

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

Recent efforts in smart manufacturing have enhanced aerospace fuselage assembly processes, particularly by innovating shape adjustment techniques to minimize dimensional gaps between assembled sections. Existing approaches have shown…

Machine Learning · Computer Science 2025-12-01 Jiayu Liu , Chong Liu , Trevor Rhone , Yinan Wang

Covariate-dependent uncertainty quantification in simulation-based inference is crucial for high-stakes decision-making but remains challenging due to the limitations of existing methods such as conformal prediction and classical bootstrap,…

Machine Learning · Computer Science 2026-01-28 Zhiyang Liang , Qingkai Zhang

This study presents a methodology for surrogate optimization of cyclic adsorption processes, focusing on enhancing Pressure Swing Adsorption units for carbon dioxide ($CO_{2}$) capture. We developed and implemented a multiple-input,…

Chemical Physics · Physics 2023-12-08 Carine Menezes Rebello , Idelfonso B. R. Nogueira

Uncertainties are inherent to real-world systems. Taking them into account is crucial in industrial design problems and this might be achieved through reliability-based design optimization (RBDO) techniques. In this paper, we propose a…

Computation · Statistics 2016-05-31 M. Moustapha , B. Sudret , J. -M. Bourinet , B. Guillaume

The high computational cost of phase field simulations remains a major limitation for predicting dendritic solidification in metals, particularly in additive manufacturing, where microstructural control is critical. This work presents a…

The interpretation of seismic images faces challenges due to the presence of several uncertainty sources. Uncertainties exist in data measurements, source positioning, and subsurface geophysical properties. Understanding uncertainties' role…

In climate modelling, the reality of simulated flows in the middle atmosphere is largely affected by the model's representation of gravity wave processes that are unresolved, while these processes are usually simplified to facilitate…

Atmospheric and Oceanic Physics · Physics 2024-04-26 Young-Ha Kim , Georg S. Voelker , Gergely Bölöni , Günther Zängl , Ulrich Achatz

Predicting fuel assembly bow in pressurized water reactors requires solving tightly coupled fluid-structure interaction problems, whose direct simulations can be computationally prohibitive, making large-scale uncertainty quantification…

Applications · Statistics 2026-01-27 Ali Abboud , Josselin Garnier , Bertrand Leturcq , Stanislas de Lambert

In complex large-scale systems such as climate, important effects are caused by a combination of confounding processes that are not fully observable. The identification of sources from observations of system state is vital for attribution…

Machine Learning · Statistics 2023-03-22 Joseph Hart , Mamikon Gulian , Indu Manickam , Laura Swiler

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

In recent years, there is a growing interest in using quantum computers for solving combinatorial optimization problems. In this work, we developed a generic, machine learning-based framework for mapping continuous-space inverse design…

This article presents an original methodology for the prediction of steady turbulent aerodynamic fields. Due to the important computational cost of high-fidelity aerodynamic simulations, a surrogate model is employed to cope with the…

Fluid Dynamics · Physics 2019-12-05 Romain Dupuis , Jean-Christophe Jouhaud , Pierre Sagaut