Regression models based on new local strategies for near infrared spectroscopic data

In this work, a comparative study of two novel algorithms to perform sample selection in local regression based on Partial Least Squares Regression (PLS) is presented. These methodologies were applied for Near Infrared Spectroscopy (NIRS) quantification of five major constituents in corn seeds and a...

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Veröffentlicht in:Analytica chimica acta 2016-08, Vol.933, p.50-58
Hauptverfasser: Allegrini, F., Fernández Pierna, J.A., Fragoso, W.D., Olivieri, A.C., Baeten, V., Dardenne, P.
Format: Artikel
Sprache:eng
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Zusammenfassung:In this work, a comparative study of two novel algorithms to perform sample selection in local regression based on Partial Least Squares Regression (PLS) is presented. These methodologies were applied for Near Infrared Spectroscopy (NIRS) quantification of five major constituents in corn seeds and are compared and contrasted with global PLS calibrations. Validation results show a significant improvement in the prediction quality when local models implemented by the proposed algorithms are applied to large data bases. [Display omitted] •New local regression models based on PLS scores.•Rapid quantification of five major constituents in corn seeds using near infrared spectroscopy.•Statistically significant predictions improvement with respect to global PLS.
ISSN:0003-2670
1873-4324
DOI:10.1016/j.aca.2016.07.006