• KOREAN JOURNAL OF CROP SCIENCE
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• v.53 no.3
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• pp.244-250
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• 2008

The purpose of this study was to measure fundamental data required for the prediction of milling ratios, and to develop regression models to predict the head rice ratio of milled rice using NIR spectra of hulled rice. A total of 81 rice samples used in this study were collected from Jeongeup, Jeonbuk province in 2006. NIR spectra were measured using one mode of measurement, reflection. The reflectance spectra were measured in the wavelength region of 400-2500 nm with an NIR spectrophotometer "NIRSystems 6500" (Foss, Silverspring, USA). Calibration equations were developed by the modified partial least squares (MPLS), partial least squares (PLS), and principal components regression (PCR). Math treatments were 1-4-4-1, 1-10-10-1, 2-4-4-1, and 2-10-10-1. The software used was WinISI (Infrasoft International, State College, USA). Automatic head rice production and quality checking system used was "SY2000-AHRPQCS" (Ssangyong, Korea). The calibration was made with the first derivative and the spectrum designated was in 8 nm interval. The determination coefficients of head rice ratios were 0.8353, 0.8416 and 0.5277 for the MPLS, PLS and PCR, respectively. Those obtained with 20 nm interval were 0.8144, 0.8354 and 0.6908 for the MPLS, PLS and PCR, respectively. The calibration was made with second derivative that spectrum designated was 8 nm in interval. The determination coefficients of head rice ratios were 0.7994, 0.8017 and 0.4473 for the MPLS, PLS and PCR, respectively. Those with 20 nm interval were 0.8004, 0.8493 and 0.6609 for the MPLS, PLS and PCR, respectively. These results indicate that the accuracy of determination coefficient for MPLS and PLS is higher than that of PCR.

• Journal of the Korean Data and Information Science Society
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• v.18 no.1
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• pp.51-61
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• 2007

Ridge regression (RR), principal component regression (PCR) and partial least squares regression (PLS) are among popular regression methods for collinear data. While RR adds a small quantity called ridge constant to the diagonal of X'X to stabilize the matrix inversion and regression coefficients, PCR and PLS use latent variables derived from original variables to circumvent the collinearity problem. One problem of PCR and PLS is that they are very sensitive to overfitting. A new regression method is presented by combining RR and PCR and PLS, respectively, in a unified manner. It is intended to provide better predictive ability and improved stability for regression models. A real-world data from NIR spectroscopy is used to investigate the performance of the newly developed regression method.

• KSBB Journal
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• v.21 no.1 s.96
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• pp.59-67
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• 2006

2D spectrofluorometer produces many spectral data during fermentation processes. The fluorescence spectra are analyzed using chemometric methods such as principal component analysis (PCA), principal component regression (PCR) and partial least square regression (PLS). Analysis of the spectral data by PCA results in scores and loadings that are visualized in score-loading plots and used to monitor a few fermentation processes by S. cerevisae and recombinant E. coli. Two chemometric models were established to analyze the correlation between fluorescence spectra and process variables using PCR and PLS, and PLS was found to show slightly better calibration and prediction performance than PCR.

• Journal of the Korean Chemical Society
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• v.47 no.1
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• pp.19-25
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• 2003

A spectrophotometric method for the simultaneous determination of anionic and nonionic surfactant based on the application of multivariate calibration method such as principal component regression(PCR) and partial least squares(PLS) has been studied. The calibration models in PCR and PLS were obtained from the spectral data in the range of 400~700 nm for each standard of a calibration set of 26 standards, each containing different amounts of two surfactants. The relative standard error of prediction(RSEP$_{\alpha}$) was obtained to assess the model goodness in quantifying each analyte in a 5 validation samples which containing different amounts of two surfactants.

• Journal of the Ergonomics Society of Korea
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• v.19 no.3
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• pp.23-37
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• 2000

Usability is one of the most important factors that affect customers' decision to purchase a product. Several studies have been conducted to model the relationship between the product design variables and the product usability. Since there could be hundreds of design variables to be considered in the model, a variable screening method is required. Traditional variable screening methods are based on expert opinions (Expert screening) in most Kansei engineering studies. Suggested in this study are statistical methods for screening important design variables by using the principal component regression(PCR), cluster analysis, and partial least squares(PLS) method. Product variables with high effect (PCR screening and PLS screening) or representative variables (Cluster screening) can be used to model the usability. Proposed variable screening methods are used to model the usability for 36 audio/visual products. The three analysis methods (PCR, Cluster, and PLS) show better model performance than the Expert screening in terms of $R^2$, the number of variables in the model, and PRESS. It is expected that these methods can be used for screening the product design variables efficiently.

• Korean Journal of Soil Science and Fertilizer
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• v.37 no.4
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• pp.259-265
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• 2004

A quicker method was developed for foliar analysis in diagnosis of nitrogen in apple trees based on multivariate calibration procedure using partial least squares regression (PLSR) and principal component regression (PCR) to establish the relationship between reflectance spectra in the near infrared region and nitrogen content of fresh- and dry-leaf. Several spectral pre-processing methods such as smoothing, mean normalization, multiplicative scatter correction (MSC) and derivatives were used to improve the robustness and performance of the calibration models. Norris first derivative with a seven point segment and a gap of six points on MSC gave the best result of partial least squares-1 PLS-1) model for dry-leaf samples with root mean square error of prediction (RMSEP) equal to $0.699g\;kg^{-1}$, and that the Savitzky-Golay first derivate with a seven point convolution and a quadratic polynomial on MSC gave the best results of PLS-1 model for fresh-samples with RMSEP of $1.202g\;kg^{-1}$. The best PCR model was obtained with Savitzky-Golay first derivative using a seven point convolution and a quadratic polynomial on mean normalization for dry leaf samples with RMSEP of $0.553g\;kg^{-1}$, and obtained with the Savitzky-Golay first derivate using a seven point convolution and a quadratic polynomial for fresh samples with RMSEP of $1.047g\;kg^{-1}$. The results indicate that nitrogen can be determined by the near infrared reflectance (NIR) technology for fresh- and dry-leaf of apple.

• Journal of the Korean Chemical Society
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• v.46 no.4
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• pp.309-317
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• 2002

A spectrofluorimetric method for the simultaneous determination of amino acids (tryptophan and tyrosine) based on the application of multivariate calibration method such as principal component regression and partial least squares (PLS) to luminescence measurements has been studied. Emission spectra of synthetic mixtures of two amino acids were obtained at excitation wavelength of 257 ㎚. The calibration model in PCR and PLS was obtained from the spectral data in the range of 280-500 ㎚ for each standard of a calibration set of 32 standards, each containing different amounts of two amino acids. The relative standard error of prediction ($RSEP_a$) was obtained to assess the model goodness in quantifying each analyte in a validation set. The overall relative standard error of prediction ($RSEP_m$) for the mixture obtained from the results of a validation set, formed by 6 independent mixtures was also used to validate the present method.

• Journal of the Korean Data and Information Science Society
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• v.14 no.2
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• pp.355-366
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• 2003

A unified procedure for principal component regression (PCR), partial least squares (PLS) and ordinary least squares (OLS) is proposed. The process gives solutions for PCR, PLS and OLS in a unified and non-iterative way. This enables us to see the interrelationships among the three regression coefficient vectors, and it is seen that the so-called E-matrix in the solution expression plays the key role in differentiating the methods. In addition to setting out the procedure, the paper also supplies a robust numerical algorithm for its implementation, which is used to show how the procedure performs on a real world data set.

• Journal of the Korean Chemical Society
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• v.53 no.6
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• pp.717-726
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• 2009

Multivariate models were developed for the simultaneous spectrophotometric determination of copper (II), nickel (II) and zinc (II) in water with 1-(2-thiazolylazo)-2-naphthol as chromogenic reagent in the presence of Triton X-100. To overcome the drawback of spectral interferences, principal component regression (PCR) and partial least square (PLS) multivariate calibration approaches were applied. Performances were validated with several test sets, and their results were then compared. In general, no significant difference in analytical performance between PLS and PCR models. The root mean square error of prediction (RMSEP) using three components for $Cu^{2+}$, $Ni^{2+}$ and $Zn^{2+}$ were 0.018, 0.010, 0.011 ppm, respectively. Figures of merit such as sensitivity, analytical sensitivity, limit of detection (LOD) were also estimated. High reliability was achieved when the proposed procedure was applied to simultaneous determination of $Cu^{2+}$, $Ni^{2+}$ and $Zn^{2+}$ in synthetic mixture and tap water.

• Journal of the Korean Data and Information Science Society
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• v.18 no.2
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• pp.327-344
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• 2007

Ridge partial least squares regression (RPLS) is a regression method which can be obtained by combining ridge regression and partial least squares regression and is intended to provide better predictive ability and less sensitive to overfitting. In this paper, explicit expressions for the shrinkage factor of RPLS are developed. The structure of the shrinkage factor is explored and compared with those of other biased regression methods, such as ridge regression, principal component regression, ridge principal component regression, and partial least squares regression using a near infrared data set.