Comparison of Derivative-Free Algorithms for their Applicability in Self-Optimization of Chemical Processes

Sebastian Soritz; Daniel Moser; Heidrun Gruber-Wölfler

doi:10.1002/cmtd.202100091

Comparison of Derivative-Free Algorithms for their Applicability in Self-Optimization of Chemical Processes

Sebastian Soritz^*, Daniel Moser, Heidrun Gruber-Wölfler^*

^*Korrespondierende/r Autor/-in für diese Arbeit

Institut für Prozess- und Partikeltechnik (6690)

Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

Abstract

Currently unused black box optimization algorithms are compared against two popular self-optimization methods, the Nelder-Mead algorithm and the SNOBFIT method. Using various test problems and a real-life continuous flow Suzuki-Miyaura coupling reaction, two promising methods which surpassed the predominant methods in terms of reliability and speed of convergence were identified.

Originalsprache	englisch
Aufsatznummer	e202100091
Fachzeitschrift	Chemistry Methods
Jahrgang	2
Ausgabenummer	5
DOIs	https://doi.org/10.1002/cmtd.202100091
Publikationsstatus	Veröffentlicht - 15 Feb. 2022

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10.1002/cmtd.202100091Lizenz: CC BY-NC 4.0

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title = "Comparison of Derivative-Free Algorithms for their Applicability in Self-Optimization of Chemical Processes",

abstract = "Currently unused black box optimization algorithms are compared against two popular self-optimization methods, the Nelder-Mead algorithm and the SNOBFIT method. Using various test problems and a real-life continuous flow Suzuki-Miyaura coupling reaction, two promising methods which surpassed the predominant methods in terms of reliability and speed of convergence were identified.",

keywords = "flow chemistry, self-optimization, automation, algorithms",

author = "Sebastian Soritz and Daniel Moser and Heidrun Gruber-W{\"o}lfler",

year = "2022",

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AU - Gruber-Wölfler, Heidrun

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Y1 - 2022/2/15

N2 - Currently unused black box optimization algorithms are compared against two popular self-optimization methods, the Nelder-Mead algorithm and the SNOBFIT method. Using various test problems and a real-life continuous flow Suzuki-Miyaura coupling reaction, two promising methods which surpassed the predominant methods in terms of reliability and speed of convergence were identified.

AB - Currently unused black box optimization algorithms are compared against two popular self-optimization methods, the Nelder-Mead algorithm and the SNOBFIT method. Using various test problems and a real-life continuous flow Suzuki-Miyaura coupling reaction, two promising methods which surpassed the predominant methods in terms of reliability and speed of convergence were identified.

KW - flow chemistry

KW - self-optimization

KW - automation

KW - algorithms

U2 - 10.1002/cmtd.202100091

DO - 10.1002/cmtd.202100091

M3 - Article

SN - 2628-9725

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JO - Chemistry Methods

JF - Chemistry Methods

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Comparison of Derivative-Free Algorithms for their Applicability in Self-Optimization of Chemical Processes

Abstract

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