Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!

By combining machine learning with the design of experiments, thereby achieving so-called active machine learning, more efficient and cheaper research can be conducted. Machine learning algorithms are more flexible and are better than traditional design of experiment algorithms at investigating proc...

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Main Authors: Yannick Ureel, Maarten R. Dobbelaere, Yi Ouyang, Kevin De Ras, Maarten K. Sabbe, Guy B. Marin, Kevin M. Van Geem
Format: Article
Language:English
Published: Elsevier 2023-08-01
Series:Engineering
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2095809923002862
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author Yannick Ureel
Maarten R. Dobbelaere
Yi Ouyang
Kevin De Ras
Maarten K. Sabbe
Guy B. Marin
Kevin M. Van Geem
author_facet Yannick Ureel
Maarten R. Dobbelaere
Yi Ouyang
Kevin De Ras
Maarten K. Sabbe
Guy B. Marin
Kevin M. Van Geem
author_sort Yannick Ureel
collection DOAJ
description By combining machine learning with the design of experiments, thereby achieving so-called active machine learning, more efficient and cheaper research can be conducted. Machine learning algorithms are more flexible and are better than traditional design of experiment algorithms at investigating processes spanning all length scales of chemical engineering. While active machine learning algorithms are maturing, their applications are falling behind. In this article, three types of challenges presented by active machine learning—namely, convincing the experimental researcher, the flexibility of data creation, and the robustness of active machine learning algorithms—are identified, and ways to overcome them are discussed. A bright future lies ahead for active machine learning in chemical engineering, thanks to increasing automation and more efficient algorithms that can drive novel discoveries.
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spelling doaj.art-29100d55beed4b9782bcc74984d86ce82024-03-15T04:43:20ZengElsevierEngineering2095-80992023-08-01272330Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!Yannick Ureel0Maarten R. Dobbelaere1Yi Ouyang2Kevin De Ras3Maarten K. Sabbe4Guy B. Marin5Kevin M. Van Geem6Laboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Ghent 9052, BelgiumLaboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Ghent 9052, BelgiumLaboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Ghent 9052, BelgiumLaboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Ghent 9052, BelgiumLaboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Ghent 9052, BelgiumLaboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Ghent 9052, BelgiumCorresponding author.; Laboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Ghent 9052, BelgiumBy combining machine learning with the design of experiments, thereby achieving so-called active machine learning, more efficient and cheaper research can be conducted. Machine learning algorithms are more flexible and are better than traditional design of experiment algorithms at investigating processes spanning all length scales of chemical engineering. While active machine learning algorithms are maturing, their applications are falling behind. In this article, three types of challenges presented by active machine learning—namely, convincing the experimental researcher, the flexibility of data creation, and the robustness of active machine learning algorithms—are identified, and ways to overcome them are discussed. A bright future lies ahead for active machine learning in chemical engineering, thanks to increasing automation and more efficient algorithms that can drive novel discoveries.http://www.sciencedirect.com/science/article/pii/S2095809923002862Active machine learningActive learningBayesian optimizationChemical engineeringDesign of experiments
spellingShingle Yannick Ureel
Maarten R. Dobbelaere
Yi Ouyang
Kevin De Ras
Maarten K. Sabbe
Guy B. Marin
Kevin M. Van Geem
Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!
Engineering
Active machine learning
Active learning
Bayesian optimization
Chemical engineering
Design of experiments
title Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!
title_full Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!
title_fullStr Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!
title_full_unstemmed Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!
title_short Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!
title_sort active machine learning for chemical engineers a bright future lies ahead
topic Active machine learning
Active learning
Bayesian optimization
Chemical engineering
Design of experiments
url http://www.sciencedirect.com/science/article/pii/S2095809923002862
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