Efficient Feature Selection for PTR-MS Fingerprinting of Agroindustrial Products

  • Authors:
  • Pablo M. Granitto;Franco Biasioli;Cesare Furlanello;Flavia Gasperi

  • Affiliations:
  • CIFASIS, CONICET/UNR/UPC, Rosario, Argentina 2000;Agrifood Quality Department, FEM-IASMA Research Center, San Michele allAdige, Italy 38010;FBK-irst, Povo, Italy 38100;Agrifood Quality Department, FEM-IASMA Research Center, San Michele allAdige, Italy 38010

  • Venue:
  • ICANN '08 Proceedings of the 18th international conference on Artificial Neural Networks, Part II
  • Year:
  • 2008

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Abstract

We recently introduced the Random Forest - Recursive Feature Elimination (RF-RFE) algorithm for feature selection. In this paper we apply it to the identification of relevant features in the spectra (fingerprints) produced by Proton Transfer Reaction - Mass Spectrometry (PTR-MS) analysis of four agro-industrial products (two datasets with cultivars of Berries and other two with typical cheeses, all from North Italy). The method is compared with the more traditional Support Vector Machine - Recursive Feature Elimination (SVM-RFE), extended to allow multiclass problems. Using replicated experiments we estimate unbiased generalization errors for both methods. We analyze the stability of the two methods and find that RF-RFE is more stable than SVM-RFE in selecting small subsets of features. Our results also show that RF-RFE outperforms SVM-RFE on the task of finding small subsets of features with high discrimination levels on PTR-MS datasets.