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Deployments of Bayesian Optimization (BO) for functions with stochastic evaluations, such as parameter tuning via cross validation and simulation optimization, typically optimize an average of a fixed set of noisy realizations of the…

Machine Learning · Computer Science 2020-07-03 Henry B. Moss , David S. Leslie , Paul Rayson

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

Nature-inspired swarm-based algorithms have been widely applied to tackle high-dimensional and complex optimization problems across many disciplines. They are general purpose optimization algorithms, easy to use and implement, flexible and…

Optimization and Control · Mathematics 2021-03-23 Kwok Pui Choi , Enzio Hai Hong Kam , Tze Leung Lai , Xin T. Tong , Weng Kee Wong

Bayesian optimization (BO) is a principled approach to molecular design tasks. In this paper we explain three pitfalls of BO which can cause poor empirical performance: an incorrect prior width, over-smoothing, and inadequate acquisition…

Machine Learning · Computer Science 2024-07-26 Austin Tripp , José Miguel Hernández-Lobato

Gaussian processes are the model of choice in Bayesian optimization and active learning. Yet, they are highly dependent on cleverly chosen hyperparameters to reach their full potential, and little effort is devoted to finding good…

Machine Learning · Computer Science 2024-02-16 Carl Hvarfner , Erik Hellsten , Frank Hutter , Luigi Nardi

Bayesian optimization (BO) is a popular methodology to tune the hyperparameters of expensive black-box functions. Traditionally, BO focuses on a single task at a time and is not designed to leverage information from related functions, such…

Machine Learning · Statistics 2021-04-20 David Salinas , Huibin Shen , Valerio Perrone

Novel applications of artificial intelligence for tuning the parameters of industrial machines for optimal performance are emerging at a fast pace. Tuning the combine harvesters and improving the machine performance can dramatically…

Signal Processing · Electrical Eng. & Systems 2020-02-26 Laszlo Nadai , Felde Imre , Sina Ardabili , Tarahom Mesri Gundoshmian , Pinter Gergo , Amir Mosavi

Bayesian Optimization (BO) is a powerful framework for optimizing noisy, expensive-to-evaluate black-box functions. When the objective exhibits invariances under a group action, exploiting these symmetries can substantially improve BO…

Machine Learning · Statistics 2025-09-30 Anthony Bardou , Antoine Gonon , Aryan Ahadinia , Patrick Thiran

Bayesian optimization (BO) is a successful methodology to optimize black-box functions that are expensive to evaluate. While traditional methods optimize each black-box function in isolation, there has been recent interest in speeding up BO…

Machine Learning · Statistics 2019-09-30 Valerio Perrone , Huibin Shen , Matthias Seeger , Cedric Archambeau , Rodolphe Jenatton

In the field of machine learning (ML) for materials optimization, active learning algorithms, such as Bayesian Optimization (BO), have been leveraged for guiding autonomous and high-throughput experimentation systems. However, very few…

We dramatically improve convergence speed and global exploration capabilities of particle swarm optimization (PSO) through a targeted position-mutated elitism (PSO-TPME). The three key innovations address particle classification, elitism,…

Neural and Evolutionary Computing · Computer Science 2022-08-22 Tamir Shaqarin , Bernd R. Noack

Determining the ideal architecture for deep learning models, such as the number of layers and neurons, is a difficult and resource-intensive process that frequently relies on human tuning or computationally costly optimization approaches.…

Artificial Intelligence · Computer Science 2025-04-22 Saad Hameed , Basheer Qolomany , Samir Brahim Belhaouari , Mohamed Abdallah , Junaid Qadir , Ala Al-Fuqaha

In this work, the Particle Swarm Optimization (PSO) algorithm has been used to train various Variational Quantum Circuits (VQCs). This approach is motivated by the fact that commonly used gradient-based optimization methods can suffer from…

Quantum Physics · Physics 2025-09-22 Marco Mordacci , Michele Amoretti

Computing proposed exact $G$-optimal designs for response surface models is a difficult computation that has received incremental improvements via algorithm development in the last two-decades. These optimal designs have not been considered…

Computation · Statistics 2022-06-15 Stephen J. Walsh , John J. Borkowski

Most research in Bayesian optimization (BO) has focused on \emph{direct feedback} scenarios, where one has access to exact values of some expensive-to-evaluate objective. This direction has been mainly driven by the use of BO in machine…

Machine Learning · Computer Science 2021-09-02 Eero Siivola , Akash Kumar Dhaka , Michael Riis Andersen , Javier Gonzalez , Pablo Garcia Moreno , Aki Vehtari

Signal source seeking using autonomous vehicles is a complex problem. The complexity increases manifold when signal intensities captured by physical sensors onboard are noisy and unreliable. Added to the fact that signal strength decays…

Optimization and Control · Mathematics 2015-01-28 Rui Zou , Vijay Kalivarapu , Eliot Winer , James Oliver , Sourabh Bhattacharya

The Particle Swarm Optimization Policy (PSO-P) has been recently introduced and proven to produce remarkable results on interacting with academic reinforcement learning benchmarks in an off-policy, batch-based setting. To further…

Machine Learning · Computer Science 2018-01-26 Daniel Hein , Steffen Udluft , Michel Tokic , Alexander Hentschel , Thomas A. Runkler , Volkmar Sterzing

Accurate forecasting of electrical demand is essential for maintaining a stable and reliable power grid, optimizing the allocation of energy resources, and promoting efficient energy consumption practices. This study investigates the…

Machine Learning · Computer Science 2026-02-27 Tugrul Cabir Hakyemez , Omer Adar

Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic -- primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms…

Machine Learning · Computer Science 2024-02-08 Sungduk Yu , Mike Pritchard , Po-Lun Ma , Balwinder Singh , Sam Silva

We present a novel approach to the problem of model checking cyber-physical systems. We transform the model checking problem to an optimization one by designing an objective function that measures how close a state is to a violation of a…

Systems and Control · Computer Science 2017-03-06 Dung Phan , Scott A. Smolka , Radu Grosu , Usama Mehmood , Scott D. Stoller , Junxing Yang