Machine Learning-Based Prediction of the Excitation Wavelength of Phosphors

Current challenges in the field of luminescent materials are concerned with designing efficient material to meet the rapidly rising demands of industry. Luminescent material excitation and emission are highly complex phenomena driven by the combination of atomic-level properties such as valence electron, inter-atomic radius, ionic radius, etc., and physical properties such as crystal structure, symmetry, etc. The current research paper focuses on the development of a machine-learning algorithm based on simple luminescent materials to predict the excitation to the closest possible accuracy using easily accessible key attributes by the CatBoost regressor, multiple linear regression (MLR), and an artificial neural network (ANN) approach. These selected features likely correlate with the excitation of the material. In comparison, the ANN and MLR algorithms have higher mean absolute error values in both the training and test datasets. The CatBoost algorithm outperforms the other algorithms in terms of mean of the absolute percentage difference, achieving a value of 0.302136% in the training dataset. The CatBoost algorithm exhibits the lowest root mean squared error value of 1.680768 nm in the training dataset, indicating that its predictions have a smaller average deviation from the actual values. The style for studying the material property has the potential to reduce the cost and time involved in an Edisonian approach to the lengthy laboratory experiment to identify excitation.