SELECTION OF THE SIMPLER CALIBRATION MODEL FOR MULTIVARIATE ANALYSIS BY PARTIAL LEAST SQUARES

2002 ◽  
Vol 35 (5) ◽  
pp. 921-941
Author(s):  
M. Martínez Galera ◽  
D. Picón Zamora ◽  
J. L. Martínez Vidal ◽  
A. Garrido Frenich
2006 ◽  
Vol 24 (7) ◽  
pp. 953-958 ◽  
Author(s):  
William S. Rayens ◽  
Anders H. Andersen

2019 ◽  
Vol 5 (1) ◽  
pp. 10 ◽  
Author(s):  
Ahmed Rady ◽  
Daniel Guyer ◽  
William Kirk ◽  
Irwin R Donis-González

The sprouting of potato tubers during storage is a significant problem that suppresses obtaining high quality seeds or fried products. In this study, the potential of fusing data obtained from visible (VIS)/near-infrared (NIR) spectroscopic and hyperspectral imaging systems was investigated, to improve the prediction of primordial leaf count as a significant sign for tubers sprouting. Electronic and lab measurements were conducted on whole tubers of Frito Lay 1879 (FL1879) and Russet Norkotah (R.Norkotah) potato cultivars. The interval partial least squares (IPLS) technique was adopted to extract the most effective wavelengths for both systems. Linear regression was utilized using partial least squares regression (PLSR), and the best calibration model was chosen using four-fold cross-validation. Then the prediction models were obtained using separate test data sets. Prediction results were enhanced compared with those obtained from individual systems’ models. The values of the correlation coefficient (the ratio between performance to deviation, or r(RPD)) were 0.95(3.01) and 0.9s6(3.55) for FL1879 and R.Norkotah, respectively, which represented a feasible improvement by 6.7%(35.6%) and 24.7%(136.7%) for FL1879 and R.Norkotah, respectively. The proposed study shows the possibility of building a rapid, noninvasive, and accurate system or device that requires minimal or no sample preparation to track the sprouting activity of stored potato tubers.


2020 ◽  
Vol 38 (No. 2) ◽  
pp. 131-136
Author(s):  
Wojciech Poćwiardowski ◽  
Joanna Szulc ◽  
Grażyna Gozdecka

The aim of the study was to elaborate a universal calibration for the near infrared (NIR) spectrophotometer to determine the moisture of various kinds of vegetable seeds. The research was conducted on the seeds of 5 types of vegetables – carrot, parsley, lettuce, radish and beetroot. For the spectra correlation with moisture values, the method of partial least squares regression (PLS) was used. The resulting qualitative indicators of a calibration model (R = 0.9968, Q = 0.8904) confirmed an excellent fit of the obtained calibration to the experimental data. As a result of the study, the possibilities of creating a calibration model for NIR spectrophotometer for non-destructive moisture analysis of various kinds of vegetable seeds was confirmed.<br /><br />


2012 ◽  
Vol 229-231 ◽  
pp. 1308-1311
Author(s):  
Si Te Luo ◽  
Guo Qiang Chen ◽  
Ruo Fei Cui ◽  
Wei Wei Zhou ◽  
Li Qian Lu ◽  
...  

The objective of this study was to assess the feasibility of noninvasive alcohol testing in vivo with near-infrared (NIR) spectroscopy. The suitable distance between light source and detector was determined by Monte-Carlo simulation. The NIR spectra signals of alcohol in vitro and in vivo were measured, and the blood alcohol concentration (BAC) was measured with breath test method. Wavelet de-noising and partial least squares (PLS) method were used to establish the quantitative calibration model of alcohol. The results indicate that alcohol spectra had two absorption peaks at range of 2200nm~2400nm. The optimal principal component number of PLS model is 3, RMSEP=9.29, MREP=3.5%,R=0.9802. The model has good prediction accuracy. NIRS might provide a new method to the measurement of alcohol in vivo.


NeuroImage ◽  
2003 ◽  
Vol 20 (2) ◽  
pp. 625-642 ◽  
Author(s):  
Fa-Hsuan Lin ◽  
Anthony R. McIntosh ◽  
John A. Agnew ◽  
Guinevere F. Eden ◽  
Thomas A. Zeffiro ◽  
...  

Symmetry ◽  
2020 ◽  
Vol 12 (12) ◽  
pp. 2099
Author(s):  
Divo Dharma Silalahi ◽  
Habshah Midi ◽  
Jayanthi Arasan ◽  
Mohd Shafie Mustafa ◽  
Jean-Pierre Caliman

With the complexity of Near Infrared (NIR) spectral data, the selection of the optimal number of Partial Least Squares (PLS) components in the fitted Partial Least Squares Regression (PLSR) model is very important. Selecting a small number of PLS components leads to under fitting, whereas selecting a large number of PLS components results in over fitting. Several methods exist in the selection procedure, and each yields a different result. However, so far no one has been able to determine the more superior method. In addition, the current methods are susceptible to the presence of outliers and High Leverage Points (HLP) in a dataset. In this study, a new automated fitting process method on PLSR model is introduced. The method is called the Robust Reliable Weighted Average—PLS (RRWA-PLS), and it is less sensitive to the optimum number of PLS components. The RRWA-PLS uses the weighted average strategy from multiple PLSR models generated by the different complexities of the PLS components. The method assigns robust procedures in the weighing schemes as an improvement to the existing Weighted Average—PLS (WA-PLS) method. The weighing schemes in the proposed method are resistant to outliers and HLP and thus, preserve the contribution of the most relevant variables in the fitted model. The evaluation was done by utilizing artificial data with the Monte Carlo simulation and NIR spectral data of oil palm (Elaeis guineensis Jacq.) fruit mesocarp. Based on the results, the method claims to have shown its superiority in the improvement of the weight and variable selection procedures in the WA-PLS. It is also resistant to the influence of outliers and HLP in the dataset. The RRWA-PLS method provides a promising robust solution for the automated fitting process in the PLSR model as unlike the classical PLS, it does not require the selection of an optimal number of PLS components.


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