Prospects of second generation artificial intelligence tools in calibration of chemical sensors.
Multivariate data driven calibration models with neural networks (NNs) are developed for binary (Cu++ and Ca++) and quaternary (K+, Ca++, NO3- and Cl-) ion-selective electrode (ISE) data. The response profiles of ISEs with concentrations are non-linear and sub-Nernstian. This task represents function approximation of multi-variate, multi-response, correlated, non-linear data with unknown noise structure i.e. multi-component calibration/prediction in chemometric parlance. Radial distribution function (RBF) and Fuzzy-ARTMAP-NN models implemented in the software packages, TRAJAN and Professional II, are employed for the calibration. The optimum NN models reported are based on residuals in concentration space. Being a data driven information technology, NN does not require a model, prior- or posterior- distribution of data or noise structure. Missing information, spikes or newer trends in different concentration ranges can be modeled through novelty detection. Two simulated data sets generated from mathematical functions are modeled as a function of number of data points and network parameters like number of neurons and nearest neighbors. The success of RBF and Fuzzy-ARTMAP-NNs to develop adequate calibration models for experimental data and function approximation models for more complex simulated data sets ensures AI2 (artificial intelligence, 2nd generation) as a promising technology in quantitation.
Braibanti
Antonio
A
Department of Pharmacological, Biological and Applied Chemical Sciences, Physical Chemistry Section, University of Parma, 43100 Parma, Italy. braiban@unipr.it
Rao
Rupenaguntla Sambasiva
RS
Ramam
Veluri Anantha
VA
Rao
Gollapalli Nageswara
GN
Rao
Vaddadi Venkata Panakala
VV
D001185:Artificial Intelligence; D002138:Calibration; D002623:Chemistry Techniques, Analytical