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Reduced-order modelling and low-dimensional surrogate models generated using machine learning algorithms have been widely applied in high-dimensional dynamical systems to improve the algorithmic efficiency. In this paper, we develop a…

The `spotoptim` package implements surrogate-model-based optimization of expensive black-box functions in Python. Building on two decades of Sequential Parameter Optimization (SPO) methodology, it provides a Kriging-based optimization loop…

Machine Learning · Computer Science 2026-04-16 Thomas Bartz-Beielstein

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

Surrogates provide a cheap solution evaluation and offer significant leverage for optimizing computationally expensive problems. Usually, surrogates only approximate the original function. Recently, the perfect linear surrogates were…

Artificial Intelligence · Computer Science 2026-04-14 M. W. Przewozniczek , F. Chicano , R. Tinós , M. M. Komarnicki

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

Parametric reduced-order modelling often serves as a surrogate method for hemodynamics simulations to improve the computational efficiency in many-query scenarios or to perform real-time simulations. However, the snapshots of the method…

Computational Engineering, Finance, and Science · Computer Science 2023-10-24 Dongwei Ye , Valeria Krzhizhanovskaya , Alfons G. Hoekstra

Surrogate modeling is of great practical significance for parametric differential equation systems. In contrast to classical numerical methods, using physics-informed deep learning methods to construct simulators for such systems is a…

Numerical Analysis · Mathematics 2025-01-03 Xili Wang , Kejun Tang , Jiayu Zhai , Xiaoliang Wan , Chao Yang

Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer…

Fluid Dynamics · Physics 2024-06-24 Gurpreet S. Hora , Marco G. Giometto

The present study proposes a data-driven framework trained with high-fidelity simulation results to facilitate decision making for combustor designs. At its core is a surrogate model employing a machine-learning technique called kriging,…

Computational Engineering, Finance, and Science · Computer Science 2017-09-25 Shiang-Ting Yeh , Xingjian Wang , Chih-Li Sung , Simon Mak , Yu-Hung Chang , Liwei Zhang , C. F. Jeff Wu , Vigor Yang

In this article a framework for the generation of a computationally fast surrogate model for district heating networks is presented. An appropriate model results in an index-1 hyperbolic, differential algebraic equation quadratic in state,…

Optimization and Control · Mathematics 2019-03-11 Markus Rein , Jan Mohring , Tobias Damm , Axel Klar

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

The transition of the power grid requires new technologies and methodologies, which can only be developed and tested in simulations. Especially larger simulation setups with many levels of detail can become quite slow. Therefore, the number…

Signal Processing · Electrical Eng. & Systems 2020-06-23 Stephan Balduin , Tom Westermann , Erika Puiutta

Finite element based simulation of phenomena governed by partial differential equations is a standard tool in many engineering workflows today. However, the simulation of complex geometries is computationally expensive. Many engineering…

Numerical Analysis · Mathematics 2019-08-07 Andreas Buhr

An alternative data-driven modeling approach has been proposed and employed to gain fundamental insights into robot motion interaction with granular terrain at certain length scales. The approach is based on an integration of dimension…

Robotics · Computer Science 2025-06-13 Guanjin Wang , Xiangxue Zhao , Shapour Azarm , Balakumar Balachandran

Multi-agent simulations enables the modeling and analyses of the dynamic behaviors and interactions of autonomous entities evolving in complex environments. Agent-based models (ABM) are widely used to study emergent phenomena arising from…

Machine Learning · Computer Science 2025-05-20 Paul Saves , Nicolas Verstaevel , Benoît Gaudou

This article presents an innovative open-source software named ModelFLOWs-app, written in Python, which has been created and tested to generate precise and robust hybrid reduced order models (ROMs) fully data-driven. By integrating modal…

Computational Engineering, Finance, and Science · Computer Science 2023-05-30 A. Hetherington , A. Corrochano , R. Abadía-Heredia , E. Lazpita , E. Muñoz , P. Díaz , E. Moira , M. López-Martín , S. Le Clainche

Surrogate modeling and uncertainty quantification tasks for PDE systems are most often considered as supervised learning problems where input and output data pairs are used for training. The construction of such emulators is by definition a…

Computational Physics · Physics 2019-06-26 Yinhao Zhu , Nicholas Zabaras , Phaedon-Stelios Koutsourelakis , Paris Perdikaris

Data-driven optimization has found many successful applications in the real world and received increased attention in the field of evolutionary optimization. Most existing algorithms assume that the data used for optimization is always…

Neural and Evolutionary Computing · Computer Science 2021-06-24 Jinjin Xu , Yaochu Jin , Wenli Du

Numerical simulations on mobile devices are an important tool for engineers and decision makers in the field. However, providing simulation results on mobile devices is challenging due to the complexity of the simulation, requiring remote…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-26 Christoph Dibak , Wolfgang Nowak , Frank Dürr , Kurt Rothermel
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