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Tailoring the functional properties of advanced organic/inorganic heterogeonous devices to their intended technological applications requires knowledge and control of the microscopic structure inside the device. Atomistic quantum mechanical…

Materials Science · Physics 2019-03-13 Milica Todorović , Michael U. Gutmann , Jukka Corander , Patrick Rinke

Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

Machine Learning · Computer Science 2024-01-30 Joel A. Paulson , Calvin Tsay

Optimization of large structures of multiple components is essential to many industries for minimizing mass, especially the design of aerospace vehicles. Optimizing a single primary load member independently of all other primary structures…

Numerical Analysis · Mathematics 2016-02-16 Alexander Lavin , Giovanni Greco , Kenjji Shimada

Bayesian optimisation is an adaptive sampling strategy for constructing a Gaussian process surrogate to efficiently search for the global minimum of a black-box computational model. Gaussian processes have limited applicability in…

Applications · Statistics 2025-12-04 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

Plasticity is inherent to many engineering materials such as metals. While it can degrade the load-carrying capacity of structures via material yielding, it can also protect structures through plastic energy dissipation. To fully harness…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Yingqi Jia , Xiaojia Shelly Zhang

We introduce a Bayesian optimization approach to guide the sputter deposition of molybdenum thin films, aiming to achieve desired residual stress and sheet resistance while minimizing susceptibility to stochastic fluctuations during…

Materials Science · Physics 2024-05-07 Ankit Shrivastava , Matias Kalaswad , Joyce O. Custer , David P. Adams , Habib N. Najm

Computer experiments can emulate the physical systems, help computational investigations, and yield analytic solutions. They have been widely employed with many engineering applications (e.g., aerospace, automotive, energy systems.…

Methodology · Statistics 2022-08-23 Yan Wang , Meng Wang , Areej AlBahar , Xiaowei Yue

The performance of deep (reinforcement) learning systems crucially depends on the choice of hyperparameters. Their tuning is notoriously expensive, typically requiring an iterative training process to run for numerous steps to convergence.…

Machine Learning · Computer Science 2021-01-19 Vu Nguyen , Sebastian Schulze , Michael A Osborne

Bayesian optimization methods have been successfully applied to black box optimization problems that are expensive to evaluate. In this paper, we adapt the so-called super effcient global optimization algorithm to solve more accurately…

Machine Learning · Statistics 2020-06-30 Rémy Priem , Nathalie Bartoli , Youssef Diouane , Alessandro Sgueglia

This work proposes a hybrid framework combining classical computers with quantum annealers for structural optimisation. At each optimisation iteration of an iterative process, two minimisation problems are formulated one for the underlying…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Van-Dung Nguyen , Erin Kuci , Michel Rasquin , Ludovic Noels

Truss structures at macro-scale are common in a number of engineering applications and are now being increasingly used at the micro-scale to construct metamaterials. In analyzing the properties of a given truss structure, it is often…

Numerical Analysis · Mathematics 2025-07-08 Sean Fancher , Prashant Purohit , Eleni Katifori

Controller tuning and parameter optimization are crucial in system design to improve closed-loop system performance. Bayesian optimization has been established as an efficient model-free controller tuning and adaptation method. However,…

Systems and Control · Electrical Eng. & Systems 2024-04-24 Christopher König , Raamadaas Krishnadas , Efe C. Balta , Alisa Rupenyan

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal…

Machine Learning · Computer Science 2020-08-04 Lidan Wang , Franck Dernoncourt , Trung Bui

Development of computational tools to analyze and assess the building capacities has had a major impact in civil engineering. The interaction with the structural software packages is becoming easier and the modeling tools are becoming…

Computer Vision and Pattern Recognition · Computer Science 2020-09-29 Mirsalar Kamari , Oguz Gunes

In this thesis, I explore the possibilities of conducting Bayesian optimization techniques in high dimensional domains. Although high dimensional domains can be defined to be between hundreds and thousands of dimensions, we will primarily…

Machine Learning · Computer Science 2020-10-09 David Yenicelik

In this paper, we investigate the damage detection of structures seen as an optimization problem, using modal characterization to evaluate the dynamic response of the structure given a damage model. We implemented the firefly optimization…

Computational Engineering, Finance, and Science · Computer Science 2018-04-25 Camilo Manrique Escobar , Octavio Andrés González-Estrada , Heller Guillermo Sánchez Acevedo

This paper presents a novel design update strategy for topology optimization, as an iterative optimization. The key contribution lies in incorporating a design updater concept with quantum annealing, applicable to both truss and continuum…

Computational Engineering, Finance, and Science · Computer Science 2025-01-24 Naruethep Sukulthanasorn , Junsen Xiao , Koya Wagatsuma , Reika Nomura , Shuji Moriguchi , Kenjiro Terada

In this paper, mixed categorical structural optimization problems are investigated. The aim is to minimize the weight of a truss structure with respect to cross-section areas, materials and cross-section type. The proposed methodology…

Computational Engineering, Finance, and Science · Computer Science 2022-07-13 Pierre-Jean Barjhoux , Youssef Diouane , Stéphane Grihon , Joseph Morlier

The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast…

Materials Science · Physics 2024-11-19 Peder Lyngby , Casper Larsen , Karsten Wedel Jacobsen

Bayesian optimization provides an effective method to optimize expensive-to-evaluate black box functions. It has been widely applied to problems in many fields, including notably in computer science, e.g. in machine learning to optimize…

Machine Learning · Computer Science 2025-11-18 Mike Diessner , Joseph O'Connor , Andrew Wynn , Sylvain Laizet , Yu Guan , Kevin Wilson , Richard D. Whalley