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Gradient-based optimization of engineering designs is limited by non-differentiable components in the typical computer-aided engineering (CAE) workflow, which calculates performance metrics from design parameters. While gradient-based…

Computational Engineering, Finance, and Science · Computer Science 2025-11-17 Andrin Rehmann , Nolan Black , Josiah Bjorgaard , Alessandro Angioi , Andrei Paleyes , Niklas Heim , Dion Häfner , Alexander Lavin

Optimization and uncertainty quantification have been playing an increasingly important role in computational hemodynamics. However, existing methods based on principled modeling and classic numerical techniques have faced significant…

Medical Physics · Physics 2022-09-07 Pan Du , Xiaozhi Zhu , Jian-Xun Wang

Machine learning-based surrogate models have emerged as more efficient alternatives to numerical solvers for physical simulations over complex geometries, such as car bodies. Many existing models incorporate the simulation mesh as an…

Machine Learning · Computer Science 2026-01-27 Jan Hagnberger , Mathias Niepert

Performing reliability analysis on complex systems is often computationally expensive. In particular, when dealing with systems having high input dimensionality, reliability estimation becomes a daunting task. A popular approach to overcome…

Machine Learning · Statistics 2021-12-22 Navaneeth N. , Souvik Chakraborty

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

This thesis describes the development of two independent computer programs, Herwig++ and Effective. Both of these programs are used for phenomenological predictions of high energy physics. Herwig++ is used to simulate events as measured at…

High Energy Physics - Phenomenology · Physics 2007-05-23 Philip Stephens

There is a high interest in accelerating multiscale models using data-driven surrogate modeling techniques. Creating a large training dataset encompassing all relevant load scenarios is essential for a good surrogate, yet the computational…

Numerical Analysis · Mathematics 2025-04-24 J. Storm , W. Sun , I. B. C. M. Rocha , F. P. van der Meer

An important field in robotics is the optimization of controllers. Currently, robots are often treated as a black box in this optimization process, which is the reason why derivative-free optimization methods such as evolutionary algorithms…

Neural and Evolutionary Computing · Computer Science 2018-11-27 Jonas Degrave , Michiel Hermans , Joni Dambre , Francis wyffels

Engineers widely use Gaussian process regression framework to construct surrogate models aimed to replace computationally expensive physical models while exploring design space. Thanks to Gaussian process properties we can use both samples…

Machine Learning · Statistics 2017-07-14 Evgeny Burnaev , Alexey Zaytsev

We propose a novel surrogate-assisted Evolutionary Algorithm for solving expensive combinatorial optimization problems. We integrate a surrogate model, which is used for fitness value estimation, into a state-of-the-art P3-like variant of…

Neural and Evolutionary Computing · Computer Science 2021-04-19 Arkadiy Dushatskiy , Tanja Alderliesten , Peter A. N. Bosman

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik

This work presents a deep learning surrogate model for the fast simulation of high-dimensional frequency selective surfaces. We consider unit-cells which are built as multiple concatenated stacks of screens and their design requires the…

Signal Processing · Electrical Eng. & Systems 2023-09-22 Lucas Polo-López , Luc Le Magoarou , Romain Contreres , María García-Vigueras

Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and…

Machine Learning · Computer Science 2019-11-26 Aaron Klein , Zhenwen Dai , Frank Hutter , Neil Lawrence , Javier Gonzalez

The substantial increase in data volume and complexity expected from future experiments will require significant investment to prepare experimental algorithms. These algorithms include physics object reconstruction, calibrations, and…

Mechanistic dynamic process models may be too computationally expensive to be usable as part of a real-time capable predictive controller. We present a method for end-to-end learning of Koopman surrogate models for optimal performance in a…

Machine Learning · Computer Science 2025-03-06 Daniel Mayfrank , Na Young Ahn , Alexander Mitsos , Manuel Dahmen

Learning data representations under uncertainty is an important task that emerges in numerous scientific computing and data analysis applications. However, uncertainty quantification techniques are computationally intensive and become…

Machine Learning · Computer Science 2025-08-06 Paz Fink Shustin , Shashanka Ubaru , Małgorzata J. Zimoń , Songtao Lu , Vasileios Kalantzis , Lior Horesh , Haim Avron

Climate control of buildings makes up a significant portion of global energy consumption, with groundwater heat pumps providing a suitable alternative. To prevent possibly negative interactions between heat pumps throughout a city, city…

Machine Learning · Computer Science 2022-03-30 Raphael Leiteritz , Kyle Davis , Miriam Schulte , Dirk Pflüger

Increasing complexity in the power system and the transformation towards a smart grid lead to the necessity of new tools and methods for the development and testing of new technologies. One testing method is co-simulation, which allows…

Computational Engineering, Finance, and Science · Computer Science 2024-10-23 Jan Sören Schwarz , Cornelius Steinbrink , Sebastian Lehnhoff

In recent years, there has been an increasing need for Nuclear Power Plants (NPPs) to improve flexibility in order to match the rapid growth of renewable energies. The Operator Assistance Predictive System (OAPS) developed by Framatome…

Machine Learning · Computer Science 2026-03-26 Perceval Beja-Battais , Alain Grossetête , Nicolas Vayatis
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