Search Results for author:
Found 5 papers, 4 papers with code
Gemini: Dynamic Bias Correction for Autonomous Experimentation and Molecular Simulation
We recommend using Gemini for regression tasks with sparse data and in an autonomous workflow setting where its predictions of expensive to evaluate objectives can be used to construct a more informative acquisition function, thus reducing the number of expensive evaluations an optimizer needs to achieve desired target values.
Olympus: a benchmarking framework for noisy optimization and experiment planning
Experiment planning strategies based on off-the-shelf optimization algorithms can be employed in fully autonomous research platforms to achieve desired experimentation goals with the minimum number of trials.
Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledge
Leveraging domain knowledge in the form of physicochemical descriptors, Gryffin can significantly accelerate the search for promising molecules and materials.
Beyond Ternary OPV: High-Throughput Experimentation and Self-Driving Laboratories Optimize Multi-Component Systems
Fundamental advances to increase the efficiency as well as stability of organic photovoltaics (OPVs) are achieved by designing ternary blends which represents a clear trend towards multi-component active layer blends.
Applied Physics
PHOENICS: A universal deep Bayesian optimizer
In this work we introduce PHOENICS, a probabilistic global optimization algorithm combining ideas from Bayesian optimization with concepts from Bayesian kernel density estimation.
