• Title/Summary/Keyword: PLSR

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Wavelength selection by loading vector analysis in determining total protein in human serum using near-infrared spectroscopy and Partial Least Squares Regression

  • Kim, Yoen-Joo;Yoon, Gil-Won
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.4102-4102
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    • 2001
  • In multivariate analysis, absorbance spectrum is measured over a band of wavelengths. One does not often pay attention to the size of this wavelength band. However, it is desirable that spectrum is measured at only necessary wavelengths as long as the acceptable accuracy of prediction can be met. In this paper, the method of selecting an optimal band of wavelengths based on the loading vector analysis was proposed and applied for determining total protein in human serum using near-infrared transmission spectroscopy and PLSR. Loading vectors in the full spectrum PLSR were used as reference in selecting wavelengths, but only the first loading vector was used since it explains the spectrum best. Absorbance spectra of sera from 97 outpatients were measured at 1530∼1850 nm with an interval of 2 nm. Total protein concentrations of sera were ranged from 5.1 to 7.7 g/㎗. Spectra were measured by Cary 5E spectrophotometer (Varian, Australia). Serum in the 5 mm-pathlength cuvette was put in the sample beam and air in the reference beam. Full spectrum PLSR was applied to determine total protein from sera. Next, the wavelength region of 1672∼1754 nm was selected based on the first loading vector analysis. Standard Error of Cross Validation (SECV) of full spectrum (1530∼l850 nm) PLSR and selected wavelength PLSR (1672∼1754 nm) was respectively 0.28 and 0.27 g/㎗. The prediction accuracy between the two bands was equal. Wavelength selection based on loading vector in PLSR seemed to be simple and robust in comparison to other methods based on correlation plot, regression vector and genetic algorithm. As a reference of wavelength selection for PLSR, the loading vector has the advantage over the correlation plot since the former is based on multivariate model whereas the latter, on univariate model. Wavelength selection by the first loading vector analysis requires shorter computation time than that by genetic algorithm and needs not smoothing.

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Milling tool wear forecast based on the partial least-squares regression analysis

  • Xu, Chuangwen;Chen, Hualing
    • Structural Engineering and Mechanics
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    • v.31 no.1
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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.

Analysis of Main Design Factors for Developing a Soil Water Content Sensor Using Impedance Spectroscopy (Impedance Spectroscopy를 이용한 토양 수분함량 센서의 주요 설계인자 분석)

  • Lee, Dong-Hoon;Cho, Yong-Jin;Chang, Young-Chang;Lee, Kyou-Seung
    • Journal of Biosystems Engineering
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    • v.33 no.4
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    • pp.269-275
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    • 2008
  • This study was conducted to design an impedance sensor that can measure soil water content of soils. Partial least square regression (PLSR) was applied to soil impedance data preprocessed with a smoothing method. An optimal sub-spectrum size and wavelength range were determined by comparing the coefficient of determination ($R^2$) and root mean square error (RMSE) of the PLSR models obtained using soil impedance data. various PLS analysis. Based on the PLSR analysis, it would be concluded that the optimal spectrum measurement range was $32.0{\sim}50.0\;MHz$ with the optimal sub-spectrum size of about 18.5 MHz.

Modeling and Comparison for Auto-association using Support Vector Regression (SVR) and Partial Least Square Regression (PLSR) in Online Monitoring Techniques (상시감시기술에서 SVR과 PLSR을 이용한 Auto-association 모델링 및 성능비교)

  • Kim, Seong-Jun;Seo, In-Yong
    • Journal of the Korean Institute of Intelligent Systems
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    • v.20 no.4
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    • pp.483-488
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    • 2010
  • An online monitoring based upon sensor system is essential to assure both efficient operation and safety in the power plant. Of great importance is modeling for auto-association (AA) in online monitoring technique. The objective of auto-associative models lies in predicting true values of plant operation parameters from sensor signals transmitted. This paper presents two AA models using Support Vector Regression (SVR) and Partial Least Square Regression (PLSR). The presented models are useful, in particular, when there are many parameters to monitor in the power plant. Illustrative examples are given by using a real-world plant dataset. AA performances of SVR and PLSR are finally summarized in terms of accuracy and sensitivity. According to our results, SVR shows much higher accuracy and, however, its sensitivity is relatively degraded.

Estimation of Nitrate Nitrogen Concentration in Liquid Fertilizer Contaminated Areas using Hyperspectral Images (초분광 영상을 이용한 액비 오염지역의 질산성질소 농도 추정)

  • Lim, Eun Sung;Kim, I Seul;Han, Soo Jeong;Lim, Tai Yang;Song, Wonkyong
    • Journal of the Society of Disaster Information
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    • v.16 no.3
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    • pp.542-549
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    • 2020
  • Purpose: As nitrate nitrogen produced during fermentation of liquid fertilizer is a pollution indicator of water, in this study, four research areas where liquid fertilizer was sprayed were selected, and a model was designed to estimate the concentration of nitrate nitrogen pollution. Method: Prior to shooting on site, a spectrum library was constructed by dividing the ratio of liquid fertilizer into 5 groups: 0%, 25%, 50%, 75%, and 100%. PLSR (Partial least squares regression) method was applied to hyperspectral images acquired in the study area based on the aspect of spectrum. Result: The behavior of nitrate nitrogen was confirmed by 1st and 2nd differentiation of the spectrum of the constructed liquid fertilizer. PLSR concentration estimation modeling was implemented using images from field experiments and compared with actual concentration of nitrate nitrogen. Conclusion: When comparing the PLSR concentration estimation model with the actual concentration of nitrate nitrogen, it was measured that the detection is possible in high concentration areas where the concentration of nitrate nitrogen is 70mg/kg or more.

Analysis of Partial Least Square Regression on Textural Data from Back Extrusion Test for Commercial Instant Noodles (시중 즉석 조리 면의 Back Extrusion 텍스처 데이터에 대한 Partial Least Square Regression 분석)

  • Kim, Su kyoung;Lee, Seung Ju
    • Food Engineering Progress
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    • v.14 no.1
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    • pp.75-79
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    • 2010
  • Partial least square regression (PLSR) was executed on curve data of force-deformation from back extrusion test and sensory data for commercial instant noodles. Sensory attributes considered were hardness (A), springiness (B), roughness (C), adhesiveness to teeth (D), and thickness (E). Eight and two kinds of fried and non-fried instant noodles respectively were used in the tests. Changes in weighted regression coefficients were characterized as three stages: compaction, yielding, and extrusion. Correlation coefficients appeared in the order of E>D>A>B>C, root mean square error of prediction D>C>E>B>A, and relative ability of prediction D>C>E>B>A. Overall, 'D' was the best in the correlation and prediction. 'A' with poor prediction ability but high correlation was considered good when determining the order of magnitude.

A Study on the Several Robust Regression Estimators

  • Kim, Jee-Yun;Roh, Kyung-Mi;Hwang, Jin-Soo
    • Journal of the Korean Data and Information Science Society
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    • v.15 no.2
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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.

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Non-destructive and Rapid Prediction of Moisture Content in Red Pepper (Capsicum annuum L.) Powder Using Near-infrared Spectroscopy and a Partial Least Squares Regression Model

  • Lim, Jongguk;Mo, Changyeun;Kim, Giyoung;Kang, Sukwon;Lee, Kangjin;Kim, Moon S.;Moon, Jihea
    • Journal of Biosystems Engineering
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    • v.39 no.3
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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.

Partial least squares regression theory and application in spectroscopic diagnosis of total hemoglobin in whole blood (부분최소제곱회귀(Partial Least Squares Regression) 이론과 분광학적 혈중 헤모글로빈 진단에의 응용)

  • 김선우;김연주;김종원;윤길원
    • The Korean Journal of Applied Statistics
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    • v.10 no.2
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    • pp.227-239
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    • 1997
  • PLSR is a powerful multivariate statistical tool that has been successfully applied to the quantitative analyses of data in spectroscopy, chemistry, and industrial process control. Data in spectorscopy is represented by spectrum matrix measured in many wavelengths. Problems of many kinds of noise in data and itercorrelation between wavelengths are quite common in such data. PLSR utilizes whole data set measured in many wavelengths to the analysis, and handles such problems through data compression method. We investigated the PLSR theory, and applied this method to the data for spectroscopic diagnosis of Total Hemoglobin in whole blood.

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Development of Nondestructive Detection Method for Adulterated Powder Products Using Raman Spectroscopy and Partial Least Squares Regression (라만 분광법과 부분최소자승법을 이용한 불량 분말식품 비파괴검사 기술 개발)

  • Lee, Sangdae;Lohumi, Santosh;Cho, Byoung-Kwan;Kim, Moon S.;Lee, Soo-Hee
    • Journal of the Korean Society for Nondestructive Testing
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    • v.34 no.4
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    • pp.283-289
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    • 2014
  • This study was conducted to develop a non-destructive detection method for adulterated powder products using Raman spectroscopy and partial least squares regression(PLSR). Garlic and ginger powder, which are used as natural seasoning and in health supplement foods, were selected for this experiment. Samples were adulterated with corn starch in concentrations of 5-35%. PLSR models for adulterated garlic and ginger powders were developed and their performances evaluated using cross validation. The $R^2_c$ and SEC of an optimal PLSR model were 0.99 and 2.16 for the garlic powder samples, and 0.99 and 0.84 for the ginger samples, respectively. The variable importance in projection (VIP) score is a useful and simple tool for the evaluation of the importance of each variable in a PLSR model. After the VIP scores were taken pre-selection, the Raman spectrum data was reduced by one third. New PLSR models, based on a reduced number of wavelengths selected by the VIP scores technique, gave good predictions for the adulterated garlic and ginger powder samples.