Design of Experiments Algorithm for Comprehensive Exploration and Rapid Optimization in Chemical Space
Bayesian optimization is known to be able to search for the optimal conditions based on a small number of experiments. However, these experiments are insufficient to understand the experimental condition space. In contrast, we report the development of an algorithm that combines a low-confounding definitive screening design with Bayesian optimization, allowing for rapid optimization and ensuring sufficient experiments to understand the experimental condition space with a low confounding.
Authors
- Masaru Kondo (ORCID: https://orcid.org/0000-0001-6299-5718)
- Shinobu Takizawa (ORCID: https://orcid.org/0000-0002-9668-1888)
- Muthu Karuppasamy
- Mohamed S. H. Salem (ORCID: https://orcid.org/0000-0002-8919-095X)
- Kazuhiro Takeda (ORCID: https://orcid.org/0009-0001-2237-4359)
Institutions
- Suez Canal University (EG)
- Shizuoka University (JP)
- University of Shizuoka (JP)
- The University of Osaka (JP)
Publication Details
- Journal
- Systems and Control Transactions
- Published
- 2025-06-30
- DOI
- https://doi.org/10.69997/sct.101968
- Primary Topic
- Manufacturing Process and Optimization
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Ministry of Education, Culture, Sports, Science and Technology