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Found 2 papers, 2 papers with code
Tuning Hyperparameters without Grad Students: Scalable and Robust Bayesian Optimisation with Dragonfly
We compare Dragonfly to a suite of other packages and algorithms for global optimisation and demonstrate that when the above methods are integrated, they enable significant improvements in the performance of BO.
Constant Size Molecular Descriptors For Use With Machine Learning
A set of molecular descriptors whose length is independent of molecular size is developed for machine learning models that target thermodynamic and electronic properties of molecules.
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