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Building design optimization often depends on physics-based simulation tools such as EnergyPlus, which, although accurate, are computationally expensive and slow. Surrogate models provide a faster alternative, yet most are…

Machine Learning · Computer Science 2026-03-13 Piragash Manmatharasan , Girma Bitsuamlak , Katarina Grolinger

Discrete-time modeling of acoustic, mechanical and electrical systems is a prominent topic in the musical signal processing literature. Such models are mostly derived by discretizing a mathematical model, given in terms of ordinary or…

High-fidelity models are essential for accurately capturing nonlinear system dynamics. However, simulation of these models is often computationally too expensive and, due to their complexity, they are not directly suitable for analysis,…

Systems and Control · Electrical Eng. & Systems 2025-09-05 E. Javier Olucha , Rajiv Singh , Amritam Das , Roland Tóth

Higher-order theory predictions are crucial for the precision LHC program, but the time-consuming amplitude evaluation challenges the corresponding Monte-Carlo simulations. Machine-learned amplitude surrogates can resolve this problem, if…

High Energy Physics - Phenomenology · Physics 2026-01-06 Henning Bahl , Jens Braun , Gudrun Heinrich , Tilman Plehn , Rebecca Revelli

Simulations of Al thin film sputter depositions rely on accurate plasma and surface interaction models. Establishing the latter commonly requires a higher level of abstraction and means to dismiss the fundamental atomic fidelity. Previous…

Materials Science · Physics 2023-06-13 Tobias Gergs , Thomas Mussenbrock , Jan Trieschmann

Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O…

Machine Learning · Computer Science 2024-10-10 Sofya Dymchenko , Abhishek Purandare , Bruno Raffin

We describe a machine-learning-based surrogate model for reproducing the Bayesian posterior distributions for exoplanet atmospheric parameters derived from transmission spectra of transiting planets with typical retrieval software such as…

Earth and Planetary Astrophysics · Physics 2023-10-17 Eyup B. Unlu , Roy T. Forestano , Konstantin T. Matchev , Katia Matcheva

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

Simulation models are widely used in practice to facilitate decision-making in a complex, dynamic and stochastic environment. But they are computationally expensive to execute and optimize, due to lack of analytical tractability. Simulation…

Optimization and Control · Mathematics 2021-06-14 L. Jeff Hong , Xiaowei Zhang

The design of new High Entropy Alloys that can achieve exceptional mechanical properties is presently of great interest to the materials science community. However, due to the difficulty of designing these alloys using traditional methods,…

Materials Science · Physics 2023-01-03 Arindam Debnath , Wesley F Reinhart

As the role played by statistical and computational sciences in climate and environmental modelling and prediction becomes more important, Machine Learning researchers are becoming more aware of the relevance of their work to help tackle…

Machine Learning · Statistics 2020-12-23 Federico Amato , Fabian Guignard , Sylvain Robert , Mikhail Kanevski

Surrogate models are effective tools for accelerated design of complex systems. The result of a design optimization procedure using surrogate models can be used to initialize an optimization routine using the full order system. High…

Computational Engineering, Finance, and Science · Computer Science 2025-01-15 Anas Abdelrehim , Dhairya Gandhi , Sharan Yalburgi , Ashutosh Bharambe , Ranjan Anantharaman , Chris Rackauckas

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…

Deep learning methods have been employed in gravitational-wave astronomy to accelerate the construction of surrogate waveforms for the inspiral of spin-aligned black hole binaries, among other applications. We face the challenge of modeling…

Instrumentation and Methods for Astrophysics · Physics 2023-08-24 Styliani-Christina Fragkouli , Paraskevi Nousi , Nikolaos Passalis , Panagiotis Iosif , Nikolaos Stergioulas , Anastasios Tefas

Recent advancements in Markov chain Monte Carlo (MCMC) sampling and surrogate modelling have significantly enhanced the feasibility of Bayesian analysis across engineering fields. However, the selection and integration of surrogate models…

Computational Physics · Physics 2024-11-22 Leon Riccius , Iuri B. C. M. Rocha , Joris Bierkens , Hanne Kekkonen , Frans P. van der Meer

We develop a strategy that integrates machine learning and first-principles calculations to achieve technical accurate predictions of infrared spectra. Specifically, the methodology allows to predict infrared spectra for complex systems at…

Materials Science · Physics 2024-05-01 Bernhard Schmiedmayer , Georg Kresse

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For…

Machine Learning · Statistics 2022-09-28 Felix Schneider , Iason Papaioannou , Gerhard Müller

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

Constructing fast and accurate surrogate models is a key ingredient for making robust predictions in many topics. We introduce a new model, the Multiparameter Eigenvalue Problem (MEP) emulator. The new method connects emulators and can make…

Nuclear Theory · Physics 2026-05-26 Hang Yu , Takayuki Miyagi