Machine learning in laser-induced breakdown spectroscopy: A review

Abstract

Laser-induced breakdown spectroscopy (LIBS) is a spectroscopic analytic technique with great application potential because of its unique advantages for online/in-situ detection. However, due to the spatially inhomogeneity and drastically temporal varying nature of its emission source, the laser-induced plasma, it is difficult to find or hard to generate an appropriate spatiotemporal window for high repeatable signal collection with lower matrix effects. The quantification results of traditional physical principle based calibration model are unsatisfactory since these models were not able to compensate for complicate matrix effects as well as signal fluctuation. Machine learning is an emerging approach, which can intelligently correlated the complex LIBS spectral data with its qualitative or/and quantitative composition by establishing multivariate regression models with greater potential to reduce the impacts of signal fluctuation and matrix effects, therefore achieving relatively better qualitative and quantitative performance. In this review, the progress of machine learning application in LIBS is summarized from two main aspects: i) Pre-processing data for machine learning model, including spectral selection, variable reconstruction, and denoising to improve qualitative/quantitative performance; ii) Machine learning methods for better quantification performance with reduction of the impact of matrix effect as well as LIBS spectra fluctuations. The review also points out the issues that researchers need to address in their future research on improving the performance of LIBS analysis using machine learning algorithms, such as restrictions on training data, the disconnect between physical principles and algorithms, the low generalization ability and massive data processing ability of the model.