On hyperparameter optimization of machine learning algorithms: Theory and practice

L Yang, A Shami - Neurocomputing, 2020 - Elsevier
Abstract Machine learning algorithms have been used widely in various applications and
areas. To fit a machine learning model into different problems, its hyper-parameters must be …

Industrial data science–a review of machine learning applications for chemical and process industries

M Mowbray, M Vallerio, C Perez-Galvan… - Reaction Chemistry & …, 2022 - pubs.rsc.org
In the literature, machine learning (ML) and artificial intelligence (AI) applications tend to
start with examples that are irrelevant to process engineers (eg classification of images …

Bayesian optimization is superior to random search for machine learning hyperparameter tuning: Analysis of the black-box optimization challenge 2020

R Turner, D Eriksson, M McCourt… - NeurIPS 2020 …, 2021 - proceedings.mlr.press
This paper presents the results and insights from the black-box optimization (BBO)
challenge at NeurIPS2020 which ran from July–October, 2020. The challenge emphasized …

BoTorch: A framework for efficient Monte-Carlo Bayesian optimization

M Balandat, B Karrer, D Jiang… - Advances in neural …, 2020 - proceedings.neurips.cc
Bayesian optimization provides sample-efficient global optimization for a broad range of
applications, including automatic machine learning, engineering, physics, and experimental …

Beyond playing 20 questions with nature: Integrative experiment design in the social and behavioral sciences

A Almaatouq, TL Griffiths, JW Suchow… - Behavioral and Brain …, 2024 - cambridge.org
The dominant paradigm of experiments in the social and behavioral sciences views an
experiment as a test of a theory, where the theory is assumed to generalize beyond the …

Multi-objective hyperparameter optimization in machine learning—An overview

F Karl, T Pielok, J Moosbauer, F Pfisterer… - ACM Transactions on …, 2023 - dl.acm.org
Hyperparameter optimization constitutes a large part of typical modern machine learning
(ML) workflows. This arises from the fact that ML methods and corresponding preprocessing …

Hebo: Pushing the limits of sample-efficient hyper-parameter optimisation

AI Cowen-Rivers, W Lyu, R Tutunov, Z Wang… - Journal of Artificial …, 2022 - jair.org
In this work we rigorously analyse assumptions inherent to black-box optimisation hyper-
parameter tuning tasks. Our results on the Bayesmark benchmark indicate that …

Openbox: A generalized black-box optimization service

Y Li, Y Shen, W Zhang, Y Chen, H Jiang, M Liu… - Proceedings of the 27th …, 2021 - dl.acm.org
Black-box optimization (BBO) has a broad range of applications, including automatic
machine learning, engineering, physics, and experimental design. However, it remains a …

Emulation of physical processes with Emukit

A Paleyes, M Pullin, M Mahsereci, C McCollum… - arxiv preprint arxiv …, 2021 - arxiv.org
Decision making in uncertain scenarios is an ubiquitous challenge in real world systems.
Tools to deal with this challenge include simulations to gather information and statistical …

Learning search spaces for bayesian optimization: Another view of hyperparameter transfer learning

V Perrone, H Shen, MW Seeger… - Advances in neural …, 2019 - proceedings.neurips.cc
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 …