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Bischl, Bernd; Binder, Martin; Lang, Michel; Pielok, Tobias; Richter, Jakob; Coors, Stefan; Thomas, Janek; Ullmann, Theresa; Becker, Marc; Boulesteix, Anne‐Laure; Deng, Difan; Lindauer, Marius
Wiley interdisciplinary reviews. Data mining and knowledge discovery, March/April 2023, 2023-03-00, 20230301, Letnik: 13, Številka: 2Journal Article
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‐consuming and irreproducible manual process of trial‐and‐error to find well‐performing hyperparameter configurations, various automatic hyperparameter optimization (HPO) methods—for example, based on resampling error estimation for supervised machine learning—can be employed. After introducing HPO from a general perspective, this paper reviews important HPO methods, from simple techniques such as grid or random search to more advanced methods like evolution strategies, Bayesian optimization, Hyperband, and racing. This work gives practical recommendations regarding important choices to be made when conducting HPO, including the HPO algorithms themselves, performance evaluation, how to combine HPO with machine learning pipelines, runtime improvements, and parallelization. This article is categorized under: Algorithmic Development > Statistics Technologies > Machine Learning Technologies > Prediction After a general introduction of hyperparameter optimization, we review important HPO methods such as grid or random search, evolutionary algorithms, Bayesian optimization, Hyperband and racing. We include many practical recommendations w.r.t. performance evaluation, how to combine HPO with ML pipelines, runtime improvements and parallelization.
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JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
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in: SICRIS
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