Surrogate Modeling in the Evolutionary Optimization of Catalytic Materials

Kód výsledku v IS VaVaI

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Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Surrogate Modeling in the Evolutionary Optimization of Catalytic Materials

Popis výsledku v původním jazyce

The search for best performing catalysts leads to high-dimensional optimization tasks. They are by far most frequently tackled using evolutionary algorithms, usually implemented in systems developed specifically for the area of catalysis. Their fitness functions are black-box functions with costly and time-consuming empirical evaluation. This suggests to apply surrogate modeling. The paper points out three difficulties challenging the application of surrogate modeling to catalysts optimization: mixed-variables optimization, assessing the suitability of different models, and scalarization of multiple objectives. It then provides examples of how those challenges are tackled in real-world catalysts optimization tasks. The examples are based on results obtained in three such tasks using one of specific evolutionary optimization systems for catalysis.

Název v anglickém jazyce

Surrogate Modeling in the Evolutionary Optimization of Catalytic Materials

Popis výsledku anglicky

The search for best performing catalysts leads to high-dimensional optimization tasks. They are by far most frequently tackled using evolutionary algorithms, usually implemented in systems developed specifically for the area of catalysis. Their fitness functions are black-box functions with costly and time-consuming empirical evaluation. This suggests to apply surrogate modeling. The paper points out three difficulties challenging the application of surrogate modeling to catalysts optimization: mixed-variables optimization, assessing the suitability of different models, and scalarization of multiple objectives. It then provides examples of how those challenges are tackled in real-world catalysts optimization tasks. The examples are based on results obtained in three such tasks using one of specific evolutionary optimization systems for catalysis.

Druh

D - Stať ve sborníku

CEP obor

IN - Informatika

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

GECCO '12. Proceedings of the fourteenth international conference on Genetic and evolutionary computation conference

ISBN

978-1-4503-1177-9

ISSN

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e-ISSN

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Počet stran výsledku

8

Strana od-do

1095-1102

Název nakladatele

ACM

Místo vydání

New York

Místo konání akce

Philadelphia

Datum konání akce

7. 7. 2012

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

000309611100137