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Realizing high-throughput aberration-corrected Scanning Transmission Electron Microscopy (STEM) exploration of atomic structures requires rapid tuning of multipole probe correctors while compensating for the inevitable drift of the optical…

Machine Learning · Computer Science 2026-01-28 Utkarsh Pratiush , Austin Houston , Richard Liu , Gerd Duscher , Sergei Kalinin

The Hybrid Genetic Optimisation framework (HYGO) is introduced to meet the pressing need for efficient and unified optimisation frameworks that support both parametric and functional learning in complex engineering problems. Evolutionary…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Isaac Robledo , Yiqing Li , Guy Y. Cornejo Maceda , Rodrigo Castellanos

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by…

Machine Learning · Computer Science 2021-05-04 George De Ath , Richard Everson , Jonathan Fieldsend

Multi-objective optimization problems whose objectives have different evaluation costs are commonly seen in the real world. Such problems are now known as multi-objective optimization problems with heterogeneous objectives (HE-MOPs). So…

Neural and Evolutionary Computing · Computer Science 2022-08-26 Xilu Wang , Yaochu Jin , Sebastian Schmitt , Markus Olhofer

Decomposition has been the mainstream approach in classic mathematical programming for multi-objective optimization and multi-criterion decision-making. However, it was not properly studied in the context of evolutionary multi-objective…

Neural and Evolutionary Computing · Computer Science 2024-10-23 Ke Li

Modern machine learning algorithms usually involve tuning multiple (from one to thousands) hyperparameters which play a pivotal role in terms of model generalizability. Black-box optimization and gradient-based algorithms are two dominant…

Machine Learning · Computer Science 2021-02-19 Bin Gu , Guodong Liu , Yanfu Zhang , Xiang Geng , Heng Huang

Bayesian Optimisation (BO) methods seek to find global optima of objective functions which are only available as a black-box or are expensive to evaluate. Such methods construct a surrogate model for the objective function, quantifying the…

Machine Learning · Statistics 2023-01-10 Enrico Crovini , Simon L. Cotter , Konstantinos Zygalakis , Andrew B. Duncan

Bayesian Optimization using Gaussian Processes is a popular approach to deal with the optimization of expensive black-box functions. However, because of the a priori on the stationarity of the covariance matrix of classic Gaussian…

Machine Learning · Statistics 2019-05-10 Ali Hebbal , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Nouredine Melab

Bayesian optimization (BO) is a leading method for optimizing expensive black-box optimization and has been successfully applied across various scenarios. However, BO suffers from the curse of dimensionality, making it challenging to scale…

Machine Learning · Computer Science 2025-04-03 Vu Viet Hoang , Hung The Tran , Sunil Gupta , Vu Nguyen

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a…

This paper introduces a new method of partitioning the solution space of a multi-objective optimisation problem for parallel processing, called Efficient Projection Partitioning. This method projects solutions down into a single dimension,…

Optimization and Control · Mathematics 2017-11-23 William Pettersson , Melih Ozlen

This work aims to model the hypersurface of the effective elastic modulus, \( E_{z, \text{eff}} \), and thickness, \( th_{\text{eff}} \), in corrugated boards. A Latin Hypercube Sampling (LHS) is followed by Gaussian Process Regression…

Applied Physics · Physics 2025-07-04 Ricardo Fitas

Hyperparameter optimisation is a crucial process in searching the optimal machine learning model. The efficiency of finding the optimal hyperparameter settings has been a big concern in recent researches since the optimisation process could…

Machine Learning · Computer Science 2020-09-15 Yuxi Huan , Fan Wu , Michail Basios , Leslie Kanthan , Lingbo Li , Baowen Xu

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global…

Optimization and Control · Mathematics 2025-02-07 Wenjie Xu , Yuning Jiang , Bratislav Svetozarevic , Colin N. Jones

In a previous work we introduced, in the context of gravitational wave science, an initial study on an automated domain-decomposition approach for reduced basis through hp-greedy refinement. The approach constructs local reduced bases of…

General Relativity and Quantum Cosmology · Physics 2023-10-24 Franco Cerino , Andrés Diaz-Pace , Emmanuel Tassone , Manuel Tiglio , Atuel Villegas

Solving large-scale robust portfolio optimization problems is challenging due to the high computational demands associated with an increasing number of assets, the amount of data considered, and market uncertainty. To address this issue, we…

Computational Finance · Quantitative Finance 2024-08-16 Chung-Han Hsieh , Jie-Ling Lu

Evolutionary multiobjective optimization (EMO) has made significant strides over the past two decades. However, as problem scales and complexities increase, traditional EMO algorithms face substantial performance limitations due to…

Neural and Evolutionary Computing · Computer Science 2025-07-11 Zhenyu Liang , Hao Li , Naiwei Yu , Kebin Sun , Ran Cheng

Gaussian process (GP) based Bayesian optimization (BO) is a powerful method for optimizing black-box functions efficiently. The practical performance and theoretical guarantees of this approach depend on having the correct GP hyperparameter…

Machine Learning · Statistics 2024-06-07 Huong Ha , Vu Nguyen , Hung Tran-The , Hongyu Zhang , Xiuzhen Zhang , Anton van den Hengel

Optimization of materials performance for specific applications often requires balancing multiple aspects of materials functionality. Even for the cases where generative physical model of material behavior is known and reliable, this often…

Materials Science · Physics 2021-12-15 Arpan Biswas , Anna N. Morozovska , Maxim Ziatdinov , Eugene A. Eliseev , Sergei V. Kalinin

Bayesian Optimization (BO) is an effective method for optimizing expensive-to-evaluate black-box functions with a wide range of applications for example in robotics, system design and parameter optimization. However, scaling BO to problems…

Systems and Control · Electrical Eng. & Systems 2020-01-22 Lukas P. Fröhlich , Edgar D. Klenske , Christian G. Daniel , Melanie N. Zeilinger
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