RESEARCH ARTICLE
Local partial least squares based on global PLS scores
Guanghui Shen
1,2
| Matthieu Lesnoff
3,4
| Vincent Baeten
2
| Pierre Dardenne
2
|
Fabrice Davrieux
5,6
| Hernan Ceballos
7
| John Belalcazar
7
| Dominique Dufour
6,7,8,9
|
Zengling Yang
1
| Lujia Han
1
| Juan Antonio Fernández Pierna
2
1
College of Engineering, China
Agricultural University, Beijing, China
2
Food and Feed Quality Unit, Valorisation
of Agricultural Products Department,
Walloon Agricultural Research Center,
Gembloux, Belgium
3
CIRAD, UMR SELMET, Montpellier,
France
4
SELMET, Université de Montpellier,
CIRAD, INRA, Montpellier Sup Agro,
Montpellier, France
5
UMR Qualisud, CIRAD, Saint‐Denis,
France
6
Qualisud, Université de Montpellier,
CIRAD, Montpellier SupAgro, Université
d'Avignon, Université de La Réunion,
Montpellier, France
7
Cassava Program, International Center
for Tropical Agriculture (CIAT), Cali,
Colombia
8
UMR Qualisud, CIRAD, Cali, Colombia
9
UMR Qualisud, CIRAD, Montpellier,
France
Correspondence
Juan Antonio Fernández Pierna, Food and
Feed Quality Unit, Valorisation of
Agricultural Products Department,
Walloon Agricultural Research Center,
Gembloux, Belgium.
Email: foodfeedquality@cra.wallonie.be; j.
fernandez@cra.wallonie.be
Funding information
China Scholarship Council; HarvestPlus;
CIRAD; CIAT
Abstract
A local‐based method for near‐infrared spectroscopy predictions, the local
partial least squares regression on global PLS scores (LPLS‐S), is proposed in
this work and compared with the usual local PLS (LPLS) regression approach.
LPLS‐S is based on the idea of replacing the original spectra with a global PLS
score matrix before using the usual LPLS. This is done with the aim of increas-
ing the speed of the calculations, which can be an important parameter for
online applications in particular, especially when implemented on large
databases. In this study, the performance of the two local approaches was
compared in terms of efficiency and speed. It could be concluded that the
root‐mean‐square error of prediction of LPLS and LPLS‐S were 1.1962 and
1.1602, respectively, but the calculation speed for LPLS‐S was more than 20
times faster than for the LPLS algorithm.
KEYWORDS
local calibration, near‐infrared spectroscopy, partial least squares, running speed
1 | INTRODUCTION
Near‐infrared spectroscopy (NIRS), well known as a fast and nondestructive analytical method, is widely used in
combination with partial least squares (PLS) for quality control and shows great potential for application in many fields,
such as food (including fruits,
1-3
dairy products,
4
tea,
5
meat,
6
fish,
7
and grain
8,9
), pharmaceuticals,
10
biomass,
11
Received: 24 October 2018 Revised: 19 December 2018 Accepted: 16 January 2019
DOI: 10.1002/cem.3117
Journal of Chemometrics. 2019;e3117.
https://doi.org/10.1002/cem.3117
© 2019 John Wiley & Sons, Ltd. wileyonlinelibrary.com/journal/cem 1 of 12