• Journal of the Korean Data and Information Science Society
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• 제25권5호
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• pp.1151-1160
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• 2014

In DNA microarray studies, the number of genes far exceeds the number of samples and the gene expression measures are highly correlated. Partial least squares regression (PLSR) is one of the popular methods for dimensional reduction and known to be useful for the classifications of microarray data by several studies. In this study, we suggest a modified version of the partial least squares regression to analyze gene expression data with survival information. The method is designed as a new gene selection method using PLSR with an iterative procedure of imputing censored survival time. Mean square error of prediction criterion is used to determine the dimension of the model. To visualize the data, plot for variables superimposed with samples are used. The method is applied to two microarray data sets, both containing survival time. The results show that the proposed method works well for interpreting gene expression microarray data.

• Journal of the Korean Data and Information Science Society
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• 제15권2호
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• pp.307-316
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• 2004

Principal Component Regression(PCR) and Partial Least Squares Regression(PLSR) are the two most popular regression techniques in chemometrics. In the field of chemometrics usually the number of regressor variables greatly exceeds the number of observation. So we have to reduce the number of regressors to avoid the identifiability problem. In this paper we compare PCR and PLSR techniques combined with various robust regression methods including regression depth estimation. We compare the efficiency, goodness-of-fit and robustness of each estimators under several contamination schemes.

• Structural Engineering and Mechanics
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• 제31권1호
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• pp.57-74
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• 2009

Power signals resulting from spindle and feed motor, present a rich content of physical information, the appropriate analysis of which can lead to the clear identification of the nature of the tool wear. The partial least-squares regression (PLSR) method has been established as the tool wear analysis method for this purpose. Firstly, the results of the application of widely used techniques are given and their limitations of prior methods are delineated. Secondly, the application of PLSR is proposed. The singular value theory is used to noise reduction. According to grey relational degree analysis, sample variable is filtered as part sample variable and all sample variables as independent variables for modelling, and the tool wear is taken as dependent variable, thus PLSR model is built up through adapting to several experimental data of tool wear in different milling process. Finally, the prediction value of tool wear is compare with actual value, in order to test whether the model of the tool wear can adopt to new measuring data on the independent variable. In the new different cutting process, milling tool wear was predicted by the methods of PLSR and MLR (Multivariate Linear Regression) as well as BPNN (BP Neural Network) at the same time. Experimental results show that the methods can meet the needs of the engineering and PLSR is more suitable for monitoring tool wear.

• 산업공학
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• 제23권3호
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• pp.229-238
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• 2010

Virtual metrology (VM), a critical component of semiconductor manufacturing, is an efficient way of assessing the quality of wafers not actually measured. This is done based on a model between equipment sensor data (obtained for all wafers) and the quality characteristics of wafers actually measured. This paper considers principal component regression (PCR), partial least squares regression (PLSR), kernel PCR (KPCR), and kernel PLSR (KPLSR) as VM models. For each regression model, two cases are considered. One utilizes all explanatory variables in developing a model, and the other selects significant variables using the genetic algorithm (GA). The prediction performances of 8 regression models are compared for the short- and long-term etch process data. It is found among others that the GA-KPLSR model performs best for both types of data. Especially, its prediction ability is within the requirement for the short-term data implying that it can be used to implement VM for real etch processes.

• 응용통계연구
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• 제10권2호
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• pp.227-239
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• 1997

분광학분야에서 측정되는 자료는 여러 파장에서 측정된 스펙트럼 행렬과 이 스펙트럼을 통하여 알고자하는 어떤 반응치들의 행렬 또는 벡터로 주어진다. 이 경우 측정 자료에의 많은 잡음(noise)과 파장간의 상관관계가 내재한다. 부분최소제곱회귀 방법은 여러 개의 파장에서 측정된 자료를 모두 이용하는데 자료축약과정을 통하여 자료의 잡음 문제와 상관관계 문제를 해결하는 다변량통계방법이다. 본 연구에서는 이러한 자료에 적합한 부분최소제곱회귀의 이론을 알아보고 실제로 측정된 자료를 통하여 주어진 스펙트럼에 대한 반응치의 예측을 부분최소제곱회귀 방법을 이용하여 고찰하였다.

• 약학회지
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• 제42권6호
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• pp.545-551
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• 1998

Near Infrared transmittance Spectroscopy (NIRS) was used to evaluate and quantify the pharmaceutical active compounds. In the paper, taurine (2-Aminoethanesulfonic acid) was quantitatively analyzed in commercial pharmaceutical preparations. For calibration a central composite factorial design was used to determine concentrations of ingredients in reference samples. For the quantitative analysis of taurine, the most suitable data analysis method includes the calculation of second derivatives and a partial least squares regression (PLSR) model. By NIR spectrometry, combined with PLSR, the taurine concentration was successfully predicted with a relative standard error of prediction (SEP) lower than 1.04%.

• 비파괴검사학회지
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• 제34권4호
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• pp.283-289
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• 2014

본 연구는 라만 분광법과 부분최소자승법을 이용하여 불량 분말식품을 비파괴적으로 검출할 수 있는 기술을 개발하기 위해 수행되었다. 향신료와 건강보조식품 등으로 소비가 증가하고 있는 마늘과 생강분말을 실험대상으로 선정하고 옥수수 전분을 농도별로 혼합하여 시료를 제작하였다. 라만 반사스펙트럼과 부분최소자승법을 이용하여 불량 분말식품에 혼합된 옥수수 전분의 농도를 예측하기 위한 모델을 개발하고 교차검증을 통해 그 성능을 평가하였다. 또한 변수중요도척도를 이용하여 예측모델의 개발에 기여도가 높은 라만스펙트럼을 선정한 후 이 스펙트럼을 이용하여 새로운 예측모델을 개발하였다. 그 결과 전체 라만 스펙트럼의 약 1/3에 해당하는 스펙트럼 데이터만을 이용하여 전체 라만 스펙트럼을 이용하여 개발된 예측모델과 같은 성능을 갖는 모델을 개발하는 것이 가능하였다.

• 약학회지
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• 제47권3호
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• pp.148-153
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• 2003

Skin moisture is an important factor in skin health. Measurement of moisture content can provide diagnostic information on the condition of skin. In this study, a portable near-infrared (NIR) system was newly integrated with a photo diode array detector that has no moving parts, and this system has been successfully applied for the evaluation of human skin moisture. Diffuse reflectance spectra were collected and transformed to absorbance using 1 nm step size over the wavelength range of 1100 nm to 2200 nm. Partial least squares regression (PLSR) was applied to develop a calibration model. For practical use for the evaluation of human skin moisture, the PLS model for human skin moisture was developed in vivo using the portable NIR system on the basis of the relative water content values of stratum corneum from the conventional capacitance method. The PLS model showed a good correlation. The calibration with the use of PLS model predicted human moisture with a standard error of prediction (SEP) of 3.5 at 1120∼1730 nm range. This study showed the possibility of skin moisture measurement using portable NIR system.

• 약학회지
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• 제49권2호
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• pp.115-121
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• 2005

In this study, the performance of a portable NIR system and a FT NIR spectrometer were compared to determine water content of hairless mouse skin. The stratum corneum parts wer e separated from the epidermal tissues by trypsin solution. NIR diffuse reflectance spectra of hairless mouse skin were acquired using a fiber optic probe. In the near infrared, water molecules show two clear absorption bands at 1450 nm from first overtone of O-H stretching and 1940 nm from the combination involving O-H stretching and O-H deformation. It was found that the variations of O-H absorption band according to water content. Partial least squares regression (PLSR) was applied to develop a calibration model. The PLS model showed a good correlation between NIR predicted value and the absolute water content of separated hairless mouse skin, in vitro. For both the portable and the FT NIR spectrometer, These studies showed the possibility of a rapid and nondestructive skin moisture measurement using NIR spectroscopy. The portable NIR spectrometer with a photodiode arrays-microsensor could be more rapidly applied for the determination of water content with comparable accuracy with the performance of a FT spectrometer .

• Journal of Biosystems Engineering
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• 제39권3호
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• pp.184-193
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• 2014

Purpose: The aim of this study was to develop a technique for the non-destructive and rapid prediction of the moisture content in red pepper powder using near-infrared (NIR) spectroscopy and a partial least squares regression (PLSR) model. Methods: Three red pepper powder products were separated into three groups based on their particle sizes using a standard sieve. Each product was prepared, and the expected moisture content range was divided into six or seven levels from 3 to 21% wb with 3% wb intervals. The NIR reflectance spectra acquired in the wavelength range from 1,100 to 2,300 nm were used for the development of prediction models of the moisture content in red pepper powder. Results: The values of $R{_V}{^2}$, SEP, and RPD for the best PLSR model to predict the moisture content in red pepper powders of varying particle sizes below 1.4 mm were 0.990, ${\pm}0.487%$ wb, and 10.00, respectively. Conclusions: These results demonstrated that NIR spectroscopy and a PLSR model could be useful techniques for measuring rapidly and non-destructively the moisture content in red pepper powder.