Dec 11, 2022 · We propose a Bayesian optimization method that uses a covariance function specifically designed for categorical and continuous variables.
Oct 16, 2024 · We show that the proposed Bayesian optimization algorithm finds op- timal reaction parameters in fewer experiments than state of the art.
Oct 16, 2024 · In this paper we address the problem of chemical reaction optimization with continuous and categorical variables. The presence of categorical ...
In this paper we address the problem of chemical reaction optimization with continuous and categorical variables. We propose a Bayesian optimization method that ...
Categorical-Continuous Bayesian Optimization Applied to Chemical Reactions. https://doi.org/10.1007/978-3-031-22039-5_18.
Recent work has shown how Bayesian optimization (BO) is an efficient method for optimizing expensive experiments such as chemical reactions.
Nov 22, 2024 · Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of ...
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Apr 13, 2023 · (a) Bayesian optimization consists of a probabilistic model (typically a Gaussian process) that predicts experiment outputs (e.g., yield) given ...
Apr 29, 2024 · We conducted simultaneous optimizations of four different terminal alkynes and two reaction routes using an automation platform combined with a Bayesian ...
In this paper we address the problem of chemical reaction optimization with continuous and categorical variables. We propose a Bayesian optimization method that ...