Neural Network Solution of an Inverse Problem in Raman Spectroscopy of Multi-component Solutions of Inorganic Salts

摘要

The paper presents a study into several aspects of solution of the inverse problem on determination of concentrations of components in a multi-component water solution of inorganic salts by processing Raman spectra of the solutions by perceptron type artificial neural networks. The studied aspects are: (1) determination of the optimal architecture of a multi-layer perceptron, (2) influence of the input dimensionality reduction by aggregation of adjacent spectral channels on the error of problem solution. The results are compared for two data arrays including spectra of solutions of: (1) 5 salts composed of 10 different ions (salt determination problem), and (2) 10 salts composed of 10 different ions (ion determination problem).