Abstract: The paper presents the results of clusterization by
Kohonen self-organizing maps (SOM) applied for analysis of array of
Raman spectra of multi-component solutions of inorganic salts, for
determination of types of salts present in the solution. It is
demonstrated that use of SOM is a promising method for solution of
clusterization and classification problems in spectroscopy of multicomponent
objects, as attributing a pattern to some cluster may be
used for recognition of component composition of the object.
Abstract: In this study, a comparative analysis of the approaches
associated with the use of neural network algorithms for effective
solution of a complex inverse problem – the problem of identifying
and determining the individual concentrations of inorganic salts in
multicomponent aqueous solutions by the spectra of Raman
scattering of light – is performed. It is shown that application of
artificial neural networks provides the average accuracy of
determination of concentration of each salt no worse than 0.025 M.
The results of comparative analysis of input data compression
methods are presented. It is demonstrated that use of uniform
aggregation of input features allows decreasing the error of
determination of individual concentrations of components by 16-18%
on the average.