Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gasâphase structures of organic molecules
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26947
Abstract: Finding global and local minima on the potential energy surface is a key task for most studies in computational chemistry. Having a set of possible conformations for chemical structures and their corresponding energies, one can… read more here.
Keywords: global geometry; tree parzen; geometry optimization; chemistry ... See more keywords
SMOTE-XGBoost using Tree Parzen Estimator optimization for copper flotation method classification
Sign Up to like & getrecommendations! Published in 2020 at "Powder Technology"
DOI: 10.1016/j.powtec.2020.07.065
Abstract: Abstract Classification of the flotation method is an important stage in the design of the flotation process. This study faces the problems of small samples and category imbalance through the following steps: (1) The XGBoost… read more here.
Keywords: classification; flotation; flotation method; tree parzen ... See more keywords