Physical Sciences and Mathematics Commons^™

Development Of Advanced Machine Learning Models For Analysis Of Plutonium Surrogate Optical Emission Spectra, Ashwin P. Rao, Phillip R. Jenkins, John D. Auxier Ii, Michael B. Shattan, Anil Patnaik

Faculty Publications

This work investigates and applies machine learning paradigms seldom seen in analytical spectroscopy for quantification of gallium in cerium matrices via processing of laser-plasma spectra. Ensemble regressions, support vector machine regressions, Gaussian kernel regressions, and artificial neural network techniques are trained and tested on cerium-gallium pellet spectra. A thorough hyperparameter optimization experiment is conducted initially to determine the best design features for each model. The optimized models are evaluated for sensitivity and precision using the limit of detection (LoD) and root mean-squared error of prediction (RMSEP) metrics, respectively. Gaussian kernel regression yields the superlative predictive model with an RMSEP of …