Multi-level data fusion strategies for modeling three-way electrophoresis capillary and fluorescence arrays enhancing geographical and grape variety classification of wines

Anal Chim Acta. 2020 Aug 22:1126:52-62. doi: 10.1016/j.aca.2020.06.014. Epub 2020 Jun 19.

Abstract

Capillary electrophoresis with diode array detection (CE-DAD) and multidimensional fluorescence spectroscopy (EEM) second-order data were fused and chemometrically processed for geographical and grape variety classification of wines. Multi-levels data fusion strategies on three-way data were evaluated and compared revealing their advantages/disadvantages in the classification context. Straightforward approaches based on a series of data preprocessing and feature extraction steps were developed for each studied level. Partial least square discriminant analysis (PLS-DA) and its multi-way extension (NPLS-DA) were applied to CE-DAD, EEM and fused data matrices structured as two-way and three-way arrays, respectively. Classification results achieved on each model were evaluated through global indices such as average sensitivity non-error rate and average precision. Different degrees of improvement were observed comparing the fused matrix results with those obtained using a single one, clear benefits have been demonstrated when level of data fusion increases, achieving with the high-level strategy the best classification results.

Keywords: Classification; Electrophoresis capillary; Multi-level data fusion; Multidimensional fluorescence spectroscopy; Three-way data modeling.

MeSH terms

  • Discriminant Analysis
  • Least-Squares Analysis
  • Spectrometry, Fluorescence
  • Vitis*
  • Wine* / analysis