Spectral library transfer between distinct laser-induced breakdown spectroscopy systems trained on simultaneous measurements

The mutual incompatibility of distinct spectroscopic systems is among the most limiting factors in laser-induced breakdown spectroscopy (LIBS). The cost related to setting up a new LIBS system is increased, as its extensive calibration is required. Solving this problem would enable inter-laboratory reference measurements and shared spectral libraries, which are fundamental for other spectroscopic techniques. We study a simplified version of this challenge where LIBS systems differ only in the spectrometers used and collection optics but share all other parts of the apparatus and collect spectra simultaneously from the same plasma plume. Extensive datasets measured as hyperspectral images of a heterogeneous rock sample are used to train machine learning models that can transfer spectra between systems. The transfer is realized using a composed model that consists of a variational autoencoder (VAE) and a multilayer perceptron (MLP). The VAE is used to create a latent representation of spectra from a primary system. Subsequently, spectra from a secondary system are mapped to corresponding locations in the latent space by the MLP. The transfer is evaluated using several figures of merit (Euclidean and cosine distances, both spatially resolved; k-means clustering of transferred spectra). We demonstrate the viability of the method and compare it to several baseline approaches of varying complexities.

Automated summary

The mutual incompatibility of distinct spectroscopic systems in laser-induced breakdown spectroscopy (LIBS) is a limiting factor that increases the cost of setting up a new LIBS system due to extensive calibration requirements. Solving this problem would enable inter-laboratory reference measurements and shared spectral libraries which are vital for other spectroscopic techniques. In this study, a simplified version of the challenge is addressed where LIBS systems only differ in the spectrometers used and collection optics, allowing the transfer of spectra between systems using a machine learning model composed of a variational autoencoder (VAE) and a multilayer perceptron (MLP).