Hyperparameter optimization: Foundations, algorithms, best practices, and open challenges

B Bischl, M Binder, M Lang, T Pielok… - … : Data Mining and …, 2023 - Wiley Online Library
Most machine learning algorithms are configured by a set of hyperparameters whose values
must be carefully chosen and which often considerably impact performance. To avoid a time …

[HTML][HTML] Science requirements and detector concepts for the electron-ion collider: EIC yellow report

RA Khalek, A Accardi, J Adam, D Adamiak, W Akers… - Nuclear Physics A, 2022 - Elsevier
This report describes the physics case, the resulting detector requirements, and the evolving
detector concepts for the experimental program at the Electron-Ion Collider (EIC). The EIC …

SMAC3: A versatile Bayesian optimization package for hyperparameter optimization

M Lindauer, K Eggensperger, M Feurer… - Journal of Machine …, 2022 - jmlr.org
Algorithm parameters, in particular hyperparameters of machine learning algorithms, can
substantially impact their performance. To support users in determining well-performing …

Bayesian reaction optimization as a tool for chemical synthesis

BJ Shields, J Stevens, J Li, M Parasram, F Damani… - Nature, 2021 - nature.com
Reaction optimization is fundamental to synthetic chemistry, from optimizing the yield of
industrial processes to selecting conditions for the preparation of medicinal candidates …

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 …

Machine learning in aerodynamic shape optimization

J Li, X Du, JRRA Martins - Progress in Aerospace Sciences, 2022 - Elsevier
Abstract Machine learning (ML) has been increasingly used to aid aerodynamic shape
optimization (ASO), thanks to the availability of aerodynamic data and continued …

Machine learning-based methods in structural reliability analysis: A review

SS Afshari, F Enayatollahi, X Xu, X Liang - Reliability Engineering & System …, 2022 - Elsevier
Structural Reliability analysis (SRA) is one of the prominent fields in civil and mechanical
engineering. However, an accurate SRA in most cases deals with complex and costly …

Colloquium: Machine learning in nuclear physics

A Boehnlein, M Diefenthaler, N Sato, M Schram… - Reviews of modern …, 2022 - APS
Advances in machine learning methods provide tools that have broad applicability in
scientific research. These techniques are being applied across the diversity of nuclear …

Hyper-parameter optimization: A review of algorithms and applications

T Yu, H Zhu - arXiv preprint arXiv:2003.05689, 2020 - arxiv.org
Since deep neural networks were developed, they have made huge contributions to
everyday lives. Machine learning provides more rational advice than humans are capable of …

Recent advances and applications of machine learning in solid-state materials science

J Schmidt, MRG Marques, S Botti… - npj computational …, 2019 - nature.com
One of the most exciting tools that have entered the material science toolbox in recent years
is machine learning. This collection of statistical methods has already proved to be capable …