title: A multi-model fusion strategy for multivariate calibration using near and mid-infrared spectra of samples from brewing industry.
abstract: Near and mid-infrared (NIR/MIR) spectroscopy techniques have gained great acceptance in the industry due to their multiple applications and versatility. However, a success of application often depends heavily on the construction of accurate and stable calibration models. For this purpose, a simple multi-model fusion strategy is proposed. It is actually the combination of Kohonen self-organizing map (KSOM), mutual information (MI) and partial least squares (PLSs) and therefore named as KMICPLS. It works as follows: First, the original training set is fed into a KSOM for unsupervised clustering of samples, on which a series of training subsets are constructed. Thereafter, on each of the training subsets, a MI spectrum is calculated and only the variables with higher MI values than the mean value are retained, based on which a candidate PLS model is constructed. Finally, a fixed number of PLS models are selected to produce a consensus model. Two NIR/MIR spectral datasets from brewing industry are used for experiments. The results confirms its superior performance to two reference algorithms, i.e., the conventional PLS and genetic algorithm-PLS (GAPLS). It can build more accurate and stable calibration models without increasing the complexity, and can be generalized to other NIR/MIR applications.
authors.affiliation: Department of Chemistry and Chemical Engineering, Yibin University, Yibin, Sichuan 644007, PR China. chaotan1112@163.com
authors.forename: Chao
authors.initials: C
authors.lastname: Tan
authors.forename: Hui
authors.initials: H
authors.lastname: Chen
authors.forename: Chao
authors.initials: C
authors.lastname: Wang
authors.forename: Wanping
authors.initials: W
authors.lastname: Zhu
authors.forename: Tong
authors.initials: T
authors.lastname: Wu
authors.forename: Yuanbo
authors.initials: Y
authors.lastname: Diao
mesh_terms: D001515:Beer / Q000032:analysis*; D002138:Calibration; D016018:Least-Squares Analysis; D015233:Models, Statistical; D013055:Spectrophotometry, Infrared / Q000379:methods*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D014920:Wine / Q000032:analysis*