Use of different artificial neural networks to resolve binary blends of monocultivar Italian olive oils.

The problem of authenticating extra virgin olive oil varieties is particularly important from the standpoint of quality control. After having shown in our previous works the possibility of discriminating oils from a single variety using chemometrics, in this study a combination of two different neural networks architectures was employed for the resolution of simulated binary blends of oils from different cultivars. In particular, a Kohonen self-organizing map was used to select the samples to include in the training, test and validation sets, needed to operate the successive calibration stage, which has been carried out by means of several multilayer feed-forward neural networks. The optimal model resulted in a validation Q2 in the range 0.91-0.96 (10 data sets), corresponding to an average prediction error of about 5-7.5%, which appeared significantly better than in the case of random or Kennard-Stone selection.

[1]  Philipp Slusallek,et al.  Introduction to real-time ray tracing , 2005, SIGGRAPH Courses.

[2]  J J Hopfield,et al.  Learning algorithms and probability distributions in feed-forward and feed-back networks. , 1987, Proceedings of the National Academy of Sciences of the United States of America.

[3]  D. Kell,et al.  Use of 13C nuclear magnetic resonance distortionless enhancement by polarization transfer pulse sequence and multivariate analysis to discriminate olive oil cultivars , 1999 .

[4]  F. Reniero,et al.  OXYGEN-18 MEASUREMENT BY CONTINUOUS FLOW PYROLYSIS/ISOTOPE RATIO MASS SPECTROMETRY OF VEGETABLE OILS , 1998 .

[5]  Jure Zupan,et al.  NEURONALE NETZE IN DER CHEMIE , 1993 .

[6]  Y. Agrawal,et al.  Separation and determination of microgram amounts of lanthanum(III) using N-phenylbenzohydroxamic acid and xylenol orange , 1987 .

[7]  J. Zupan,et al.  Neural networks: A new method for solving chemical problems or just a passing phase? , 1991 .

[8]  Teuvo Kohonen,et al.  Self-Organization and Associative Memory , 1988 .

[9]  Yves Chauvin,et al.  Backpropagation: theory, architectures, and applications , 1995 .

[10]  J. Zupan,et al.  Neural Networks in Chemistry , 1993 .

[11]  Desire L. Massart,et al.  Artificial neural networks in classification of NIR spectral data: Design of the training set , 1996 .

[12]  Douglas B. Kell,et al.  Discrimination of the variety and region of origin of extra virgin olive oils using 13C NMR and multivariate calibration with variable reduction , 1997 .

[13]  Teuvo Kohonen,et al.  Self-organized formation of topologically correct feature maps , 2004, Biological Cybernetics.

[14]  D. E. Rumelhart,et al.  Learning internal representations by back-propagating errors , 1986 .

[15]  F R Burden,et al.  Cross-validatory selection of test and validation sets in multivariate calibration and neural networks as applied to spectroscopy. , 1997, The Analyst.

[16]  J. Zupan,et al.  Separation of data on the training and test set for modelling: a case study for modelling of five colour properties of a white pigment , 2003 .

[17]  Johann Gasteiger,et al.  Neural networks in chemistry and drug design , 1999 .

[18]  E. K. Kemsley,et al.  Potential of Fourier transform infrared spectroscopy for the authentication of vegetable oils , 1994 .

[19]  Johann Gasteiger,et al.  A combined application of two different neural network types for the prediction of chemical reactivity , 1993 .

[20]  T. Kohonen Self-organized formation of topographically correct feature maps , 1982 .

[21]  Jure Zupan,et al.  Kohonen and counterpropagation artificial neural networks in analytical chemistry , 1997 .

[22]  Geoffrey E. Hinton,et al.  Learning representations by back-propagating errors , 1986, Nature.

[23]  Yves Chauvin,et al.  Backpropagation: the basic theory , 1995 .

[24]  F. Angerosa,et al.  Sensory Evaluation of Virgin Olive Oils by Artificial Neural Network Processing of Dynamic Head‐Space Gas Chromatographic Data , 1996 .

[25]  Kevin N. Gurney,et al.  An introduction to neural networks , 2018 .

[26]  James L. McClelland,et al.  Parallel distributed processing: explorations in the microstructure of cognition, vol. 1: foundations , 1986 .

[27]  Federico Marini,et al.  Chemical authentication of extra virgin olive oil varieties by supervised chemometric procedures. , 2002, Journal of agricultural and food chemistry.

[28]  L. A. Stone,et al.  Computer Aided Design of Experiments , 1969 .