Enhanced accuracy through machine learning-based simultaneous evaluation: a case study of RBS analysis of multinary materials

We address the high accuracy and precision demands for analyzing large in situ or in operando spectral data sets. A dual-input artificial neural network (ANN) algorithm enables the compositional and depth-sensitive analysis of multinary materials by simultaneously evaluating spectra collected under multiple experimental conditions. To validate the developed algorithm, a case study was conducted analyzing complex Rutherford backscattering spectrometry (RBS) spectra collected in two scattering geometries. The dual-input ANN analysis excelled in providing a systematic analysis and precise results, showcasing its robustness in handling complex data and minimizing user bias. A comprehensive comparison with human supervision analysis and conventional single-input ANN analysis revealed a reduced susceptibility of the dual-input ANN analysis to inaccurately known setup parameters, a common challenge in material characterization. The developed multi-input approach can be extended to a wide range of analytical techniques, in which the combined analysis of measurements performed under different experimental conditions is beneficial for disentangling details of the material properties.