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Gryffin: An algorithm for Bayesian optimization for categorical variables informed by physical intuition with applications to chemistry.

, , and . CoRR, (2020)

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Olympus: a benchmarking framework for noisy optimization and experiment planning., , , , , , , and . CoRR, (2020)Gryffin: An algorithm for Bayesian optimization for categorical variables informed by physical intuition with applications to chemistry., , and . CoRR, (2020)Gemini: Dynamic Bias Correction for Autonomous Experimentation and Molecular Simulation., , , and . CoRR, (2021)Olympus: a benchmarking framework for noisy optimization and experiment planning., , , , , , , and . Mach. Learn. Sci. Technol., 2 (3): 35021 (September 2021)ChemOS: Orchestrating autonomous experimentation., , , , , and . Sci. Robotics, (2018)Bayesian optimization with known experimental and design constraints for chemistry applications., , , and . CoRR, (2022)Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation., , , , and . Mach. Learn. Sci. Technol., 1 (4): 45024 (2020)Golem: An algorithm for robust experiment and process optimization., , , , and . CoRR, (2021)On scientific understanding with artificial intelligence., , , , , , , , , and 2 other author(s). CoRR, (2022)SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry., , , , and . CoRR, (2019)