Deep neural network for X-ray photoelectron spectroscopy data analysis

TL;DR

This paper presents a deep convolutional neural network trained on synthetic X-ray photoelectron spectra data to detect and quantify chemical elements, achieving performance comparable to standard methods on experimental data.

Contribution

The study introduces a neural network trained on a large synthetic dataset for automated analysis of photoelectron spectra, reducing reliance on experimental reference spectra.

Findings

Neural network performs as well as standard methods on experimental spectra.

Synthetic training data enables effective automation of spectral analysis.

Approach reduces need for experimental reference spectra.

Abstract

In this work, we characterize the performance of a deep convolutional neural network designed to detect and quantify chemical elements in experimental X-ray photoelectron spectroscopy data. Given the lack of a reliable database in literature, in order to train the neural network we computed a large ($>$100 k) dataset of synthetic spectra, based on randomly generated materials covered with a layer of adventitious carbon. The trained net performs as good as standard methods on a test set of $\approx$ 500 well characterized experimental X-ray photoelectron spectra. Fine details about the net layout, the choice of the loss function and the quality assessment strategies are presented and discussed. Given the synthetic nature of the training set, this approach could be applied to the automatization of any photoelectron spectroscopy system, without the need of experimental reference spectra and with a low computational effort.