L. Dolmatova et al., QUANTITATIVE-ANALYSIS OF PAPER COATINGS USING ARTIFICIAL NEURAL NETWORKS, Chemometrics and intelligent laboratory systems, 36(2), 1997, pp. 125-140
This paper describes a neural network approach to the quantitative ana
lysis of paper coatings. infrared spectra of samples of coated paper w
ere used as input data for the different types of artificial neural ne
tworks. Unsupervised learning was applied to obtain the clustering of
samples with respect to similarities in the spectra. The self-organizi
ng artificial neural network of Kohonen type produced a visual represe
ntation of the discovered groupings on a two-dimensional plane. Such m
apping provided the expert a possibility to analyze the mutual arrange
ment of samples and to predict the properties of the test samples usin
g their relative position with respect to existing clusters. Supervise
d learning with a multilayer feedforward network was used to construct
the non-linear models that relate the spectral information and concen
trations of three basic components of paper coating - styrene, butadie
ne, and carbonate. These models were used for prediction of concentrat
ions of paper coating components for the test data set. The results of
modeling demonstrate that accuracy of classification and prediction i
s better than those obtained with traditional methods like principal c
omponent analysis or partial least squares (from 4% to 2% for differen
t components). According to our experience, the modeling with artifici
al neural networks is intuitively clear for the expert. This method al
lows to construct complex multivariable and multiresponse models in un
ified style. Causal relationships between inputs and outputs can be an
alyzed and explained.