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Global aerodynamic design optimization using Euler or Navier-Stokes equations requires very reliable surrogate modeling techniques since the computational effort for the underlying flow simulations is usually high. In general, for such…

Optimization and Control · Mathematics 2018-11-02 Emre Özkaya , Nicolas R. Gauger

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

The use of transfer learning within Bayesian optimization addresses the disadvantages of the so-called \textit{cold start} problem by using source data to aid in the optimization of a target problem. We present a method that leverages an…

Optimization and Control · Mathematics 2026-04-01 Ali Tfaily , Youssef Diouane , Nathalie Bartoli , Michael Kokkolaras

Adaptive morphogenetic robots adapt their morphology and control policies to meet changing tasks and environmental conditions. Many such systems leverage soft components, which enable shape morphing but also introduce simulation and control…

This paper focuses on the construction of accurate and predictive data-driven reduced models of large-scale numerical simulations with complex dynamics and sparse training datasets. In these settings, standard, single-domain approaches may…

Numerical Analysis · Mathematics 2024-09-26 Ionut-Gabriel Farcas , Rayomand P. Gundevia , Ramakanth Munipalli , Karen E. Willcox

In recent years, there has been a growing interest in understanding complex microstructures and their effect on macroscopic properties. In general, it is difficult to derive an effective constitutive law for such microstructures with…

Computational Engineering, Finance, and Science · Computer Science 2023-10-18 Theron Guo , Ondřej Rokoš , Karen Veroy

Complex engineering models are typically computationally demanding and defined by a high-dimensional parameter space challenging the comprehensive exploration of parameter effects and design optimization. To overcome this curse of…

Applications · Statistics 2024-03-01 Corey Arndt , Cody Crusenberry , Bozhi Heng , Rochelle Butler , Stephanie TerMaath

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

In computer-aided engineering design, the goal of a designer is to find an optimal design on a given requirement using the numerical simulator in loop with an optimization method. In this design optimization process, a good design…

Machine Learning · Computer Science 2023-03-01 Harsh Vardhan , Peter Volgyesi , Janos Sztipanovits

In aircraft design, structural optimization and uncertainty quantification concerning transonic aeroelastic issues are computationally impractical, because the iterative process requires great number of aeroelastic analysis. Emerging…

Fluid Dynamics · Physics 2018-08-15 Ziyi Wang , Weiwei Zhang , Xiaojing Wu , Kongjin Chen

Machine learning has been effective at detecting patterns and predicting the response of systems that behave free of natural laws. Examples include learning crowd dynamics, recommender systems and autonomous mobility. There also have been…

Computational Physics · Physics 2018-12-05 Gregory Teichert , Krishna Garikipati

Convection-dominated problems are known for their slow Kolmogorov $n$-width decays and are challenging for model order reduction (MOR). In this work, we propose a hybrid surrogate modeling approach and a non-intrusive variant that overcome…

Dynamical Systems · Mathematics 2026-05-29 Lihong Feng , Ali Hassan , Shuwen Sun

Predictive estimation, which comprises model calibration, model prediction, and validation, is a common objective when performing inverse uncertainty quantification (UQ) in diverse scientific applications. These techniques typically require…

Numerical Analysis · Mathematics 2024-07-17 Ningxin Yang , Truong Le , Lidija Zdravković , David M. Potts

Molecular dynamics simulations are powerful tools to extract the microscopic mechanisms characterizing the properties of soft materials. We recently introduced machine learning surrogates for molecular dynamics simulations of soft materials…

Soft Condensed Matter · Physics 2021-10-29 J. C. S. Kadupitiya , Nasim Anousheh , Vikram Jadhao

Poroelasticity -- coupled fluid flow and elastic deformation in porous media -- often involves spatially variable permeability, especially in subsurface systems. In such cases, simulations with random permeability fields are widely used for…

Machine Learning · Computer Science 2025-09-16 Sangjoon Park , Yeonjong Shin , Jinhyun Choo

In the whole aircraft structural optimization loop, thermal analysis plays a very important role. But it faces a severe computational burden when directly applying traditional numerical analysis tools, especially when each optimization…

Machine Learning · Computer Science 2022-03-17 Kairui Bao , Wen Yao , Xiaoya Zhang , Wei Peng , Yu Li

Stochastic inverse problems are generally solved by some form of finite sampling of a space of uncertain parameters. For computationally expensive models, surrogate response surfaces are often employed to increase the number of samples used…

Numerical Analysis · Mathematics 2018-07-04 Steven Mattis , Barbara Wohlmuth

This paper introduces the concept of abstracted model reduction: a framework to improve the tractability of structure-preserving methods for the complexity reduction of interconnected system models. To effectively reduce high-order,…

Systems and Control · Electrical Eng. & Systems 2024-11-21 Luuk Poort , Lars A. L. Janssen , Bart Besselink , Rob H. B. Fey , Nathan van de Wouw

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose…

In this work, a terrain estimation framework is developed for autonomous vehicles operating on deformable terrains. Previous work in this area usually relies on steady state tire operation, linearized classical terramechanics models, or on…

Systems and Control · Electrical Eng. & Systems 2020-04-28 James Dallas , Kshitij Jain , Zheng Dong , Michael P. Cole , Paramsothy Jayakumar , Tulga Ersal