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Quick approach for optimization of monodisperse microsphere synthesis with a knowledge sharing strategy powered by machine learning

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Abstract In this communication, we proposed Bayesian optimization acceleration strategy by allowing machine-learned knowledge to flow across different reaction scales. Dispersion polymerization was conducted to validate this knowledge sharing approach.… Click to show full abstract

Abstract In this communication, we proposed Bayesian optimization acceleration strategy by allowing machine-learned knowledge to flow across different reaction scales. Dispersion polymerization was conducted to validate this knowledge sharing approach. By learning a product uniformity landscape and performing virtual optimization using high-throughput small-scale reaction data, the most promising recipe subspace was extracted from the full-factorial parameter space for batch-size synthesis optimization. The subsequent Bayesian optimizer was hereby able to traverse the subspace and locate a recipe giving large uniform particles (>10 µm). This highly flexible and efficient strategy can be extended to a diverse library of reactions beyond microsphere synthesis.

Keywords: optimization; machine; strategy; microsphere synthesis; knowledge sharing

Journal Title: Chemical Physics Letters
Year Published: 2021

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