J. Kim, et al.
01_DataAcquisition/
: Domain-knowledge guided next batch composition recommendation using Explainable Boosting Machine (EBM) with generalized additive models (GAMs).02_BayesOpt/
: Simulated Bayesian optimization experiments on a virtual composition–jpropylene space.03_Regression_XGB/
: Training and evaluation of XGBoost regression models using the complete experimental dataset for predicting electrocatalytic CO2 conversion to C3 hydrocarbons.src/
: Utility functions and tools supporting the codes in this repository.
All the experimental data and the data used for model training are available on the Zenodo repository.