[HTML][HTML] Bayesian optimization as a flexible and efficient design framework for sustainable process systems
Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-
evaluate black-box functions, with a broad range of real-world applications in science …
evaluate black-box functions, with a broad range of real-world applications in science …
Cost-informed Bayesian reaction optimization
Bayesian optimization (BO) is an efficient method for solving complex optimization problems,
including those in chemical research, where it is gaining significant popularity. Although …
including those in chemical research, where it is gaining significant popularity. Although …
Accelerating reaction optimization through data-rich experimentation and machine-assisted process development
JP McMullen, JA Jurica - Reaction Chemistry & Engineering, 2024 - pubs.rsc.org
The field of reaction engineering is in a constant state of evolution, adapting to new
technologies and the changing demands of process development on accelerated timelines …
technologies and the changing demands of process development on accelerated timelines …
Dynamic flow experiments for Bayesian optimization of a single process objective
A new method, named dynamic experiment optimization (DynO), is developed for the current
needs of chemical reaction optimization by leveraging for the first time both Bayesian …
needs of chemical reaction optimization by leveraging for the first time both Bayesian …
A parallel chemical reaction optimization method based on preference-based multi-objective expected improvement
M Jiang, Z Wang, Z Sun, J Wang - Chinese Journal of Chemical …, 2025 - Elsevier
Optimizing chemical reaction parameters is an expensive optimization problem. Each
experiment takes a long time and the raw materials are expensive. High-throughput …
experiment takes a long time and the raw materials are expensive. High-throughput …
SANE: Strategic Autonomous Non-Smooth Exploration for Multiple Optima Discovery in Multi-modal and Non-differentiable Black-box Functions
Both computational and experimental material discovery bring forth the challenge of
exploring multidimensional and multimodal parameter spaces, such as phase diagrams of …
exploring multidimensional and multimodal parameter spaces, such as phase diagrams of …