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Bayesian optimization (BO) is an effective method of finding the global optima of black-box functions. Recently BO has been applied to neural architecture search and shows better performance than pure evolutionary strategies. All these…

Machine Learning · Computer Science 2019-05-16 Lizheng Ma , Jiaxu Cui , Bo Yang

The design and discovery of new materials is fundamental to advancing scientific and technological innovation. The recent emergence of the materials genome concept holds great promise in revolutionising materials science by enabling the…

Materials Science · Physics 2024-03-20 Zhipeng Li , Nick Birbilis

The challenge of taking many variables into account in optimization problems may be overcome under the hypothesis of low effective dimensionality. Then, the search of solutions can be reduced to the random embedding of a low dimensional…

Optimization and Control · Mathematics 2018-10-23 Mickaël Binois , David Ginsbourger , Olivier Roustant

A new algorithmic framework is presented for holographic phase retrieval via maximum likelihood optimization, which allows for practical and robust image reconstruction. This framework is especially well-suited for holographic coherent…

Image and Video Processing · Electrical Eng. & Systems 2022-02-18 David A. Barmherzig , Ju Sun

Bayesian Optimization (BO) is a widely used approach for blackbox optimization that leverages a Gaussian process (GP) model and an acquisition function to guide future sampling. While effective in low-dimensional settings, BO faces…

Machine Learning · Computer Science 2025-11-26 Pavankumar Koratikere , Leifur Leifsson

This paper introduces a methodology designed to augment the inverse design optimization process in scenarios constrained by limited compute, through the strategic synergy of multi-fidelity evaluations, machine learning models, and…

Computational Engineering, Finance, and Science · Computer Science 2024-06-04 Luka Grbcic , Juliane Müller , Wibe Albert de Jong

Exploration of complex high-dimensional spaces presents significant challenges in fields such as molecular discovery, process optimization, and supply chain management. Genetic Algorithms (GAs), while offering significant power for creating…

Machine Learning · Computer Science 2025-12-01 Mani Valleti , Aditya Raghavan , Sergei V. Kalinin

Bayesian optimization (BO) algorithms form a class of surrogate-based heuristics, aimed at efficiently computing high-quality solutions for numerical black-box optimization problems. The BO pipeline is highly modular, with different design…

Machine Learning · Computer Science 2022-11-18 Carolin Benjamins , Anja Jankovic , Elena Raponi , Koen van der Blom , Marius Lindauer , Carola Doerr

Evolutionary computation (EC) algorithms, such as discrete and multi-objective versions of particle swarm optimization (PSO), have been applied to solve the Feature selection (FS) problem, tackling the combinatorial explosion of search…

Neural and Evolutionary Computing · Computer Science 2019-01-28 Hassen Dhrif , Luis G. Sanchez Giraldo , Miroslav Kubat , Stefan Wuchty

Recently, Smajic et al. published an article on numerical structural opti- mizations of two-dimensional photonic crystals using two different classes of optimization algorithms i.e, deterministic for local searches and stochastic for…

Other Condensed Matter · Physics 2007-05-23 Andreas Hakansson , Jose Sanchez-Dehesa

High-dimensional black-box optimisation remains an important yet notoriously challenging problem. Despite the success of Bayesian optimisation methods on continuous domains, domains that are categorical, or that mix continuous and…

Machine Learning · Statistics 2021-06-11 Xingchen Wan , Vu Nguyen , Huong Ha , Binxin Ru , Cong Lu , Michael A. Osborne

From higher computational efficiency to enabling the discovery of novel and complex structures, deep learning has emerged as a powerful framework for the design and optimization of nanophotonic circuits and components. However, both…

Machine Learning · Computer Science 2022-09-13 Christopher Yeung , Benjamin Pham , Zihan Zhang , Katherine T. Fountaine , Aaswath P. Raman

The rapid advances in the field of optimization methods in many pure and applied science pose the difficulty of keeping track of the developments as well as selecting an appropriate technique that best suits the problem in-hand. From a…

Neural and Evolutionary Computing · Computer Science 2011-12-30 Loris Serafino

An innovative strategy for the optimal design of planar frames able to resist to seismic excitations is here proposed. The procedure is based on genetic algorithms (GA) which are performed according to a nested structure suitable to be…

Computational Engineering, Finance, and Science · Computer Science 2020-09-07 A. Greco , F. Cannizzaro , R. Bruno , A. Pluchino

For a wide range of applications the structure of systems like Neural Networks or complex simulations, is unknown and approximation is costly or even impossible. Black-box optimization seeks to find optimal (hyper-) parameters for these…

Machine Learning · Computer Science 2023-09-06 Janina Schreiber , Damar Wicaksono , Michael Hecht

By co-designing a meta-optical front end in conjunction with an image-processing back end, we demonstrate noise sensitivity and compactness substantially superior to either an optics-only or a computation-only approach, illustrated by two…

Computational models in fields such as computational neuroscience are often evaluated via stochastic simulation or numerical approximation. Fitting these models implies a difficult optimization problem over complex, possibly noisy parameter…

Machine Learning · Statistics 2017-11-03 Luigi Acerbi , Wei Ji Ma

We propose novel particle swarm optimization (PSO) variants incorporated with deep neural networks (DNNs) for particles to pursue globally optimal positions in dynamic environments. PSO is a heuristic approach for solving complex…

Neural and Evolutionary Computing · Computer Science 2026-04-16 Stephen Raharja , Toshiharu Sugawara

We introduce a new multimodal optimization approach called Natural Variational Annealing (NVA) that combines the strengths of three foundational concepts to simultaneously search for multiple global and local modes of black-box nonconvex…

Machine Learning · Statistics 2025-12-18 Tâm LeMinh , Julyan Arbel , Thomas Möllenhoff , Mohammad Emtiyaz Khan , Florence Forbes

Photonic chip design has seen significant advancements with the adoption of inverse design methodologies, offering flexibility and efficiency in optimizing device performance. However, the black-box nature of the optimization approaches,…

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