• Title/Summary/Keyword: Partial least squares regression

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Rapid Prediction of Amylose Content of Polished Rice by Fourier Transform Near-Infrared Spectroscopy

  • Lee, Jin-Cheol;Yoon, Yeon-Hee;Kim, Sun-Min;Pyo, Byong-Sik;Hsieh, Fu-Hung;Kim, Hak-Jin;Eun, Jong-Bang
    • Food Science and Biotechnology
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    • v.16 no.3
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    • pp.477-481
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    • 2007
  • Fourier transform near-infrared (FT-NIR) spectroscopy and partial least squares (PLS) regression were used to predict the amylose content of polished rice. Spectral reflectance data in a wavelength range of 1,000 to 2,500 nm were obtained with a commercial spectrophotometer for 60 different varieties of Korean rice. For a comparison of this spectroscopic method to a standard chemical analysis, the amylose contents of the tested rice samples were determined by the iodine-blue colorimetric method. The highest correlation for the rice amylose ($R^2=0.94$, standard error of prediction=0.20% amylose content) was obtained when using the FT-NIR spectrum data pre-treated with normalization, the first derivative, smoothing, and scattering correction.

Determination of Protein Content in Pea by Near Infrared Spectroscopy

  • Lee, Jin-Hwan;Choung, Myoung-Gun
    • Food Science and Biotechnology
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    • v.18 no.1
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    • pp.60-65
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    • 2009
  • Near infrared reflectance spectroscopy (NIRS) was used as a rapid and non-destructive method to determine the protein content in intact and ground seeds of pea (Pisum sativum L.) germplasms grown in Korea. A total of 115 samples were scanned in the reflectance mode of a scanning monochromator at intact seed and flour condition, and the reference values for the protein content was measured by auto-Kjeldahl system. In the developed ground and intact NIRS equations for analysis of protein, the most accurate equation were obtained at 2, 8, 6, 1 math treatment conditions with standard normal variate and detrend scatter correction method and entire spectrum (400-2,500 nm) by using modified partial least squares regression (n=78). External validation (n=34) of these NIRS equations showed significant correlation between reference values and NIRS estimated values based on the standard error of prediction (SEP), $R^2$, and the ratio of standard deviation of reference data to SEP. Therefore, these ground and intact NIRS equations can be applicable and reliable for determination of protein content in pea seeds, and non-destructive NIRS method could be used as a mass analysis technique for selection of high protein pea in breeding program and for quality control in food industry.

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.

Determination of water content in alcohol by portable near infrared (NIR) system (휴대용 분광분석기를 이용한 알코올 중에 함유되어 있는 물의 측정)

  • Ahn, Jhii-Weon;Woo, Young-Ah;Kim, Hyo-Jin
    • Analytical Science and Technology
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    • v.16 no.2
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    • pp.95-101
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    • 2003
  • In this study, water content in the mixture of methanol and ethanol was nondestructively measured by near infrared (NIR) spectroscopy. Two types of NIR instruments, portable NIR system with a photo-diode array and scanning type NIR spectrometer were used and the calibration results were compared. Partial least squares regression (PLSR) was applied for the calibration and validation for the quantitative analysis. The calibration results from both instruments showed good correlation with actual values. The calibration with the use of PLS model predicted water concentration with a standard error of prediction (SEP) of 0.10% and 0.12% for photo diode array and scanning type, respectively. During 6 days, routine analyses for 3%, 5% and 7% water in ethanol solution with 2% methanol were performed to validate the robustness of the developed calibration model. The routine analyses showed good results with coefficient of variation (CV) of within 3% for both types of NIR spectrometers. This study showed that the rapid determination of water in the mixture of methanol and ethanol was successfully performed by NIR spectroscopy and the performance of the portable NIR system with a photo diode array detector was comparable to that of the scanning type NIR spectrometer.

Preprocessing and Calibration of Optical Diffuse Reflectance Signal for Estimation of Soil Physical and Chemical Properties in the Central USA (미국 중부 토양의 이화학적 특성 추정을 위한 광 확산 반사 신호 전처리 및 캘리브레이션)

  • La, Woo-Jung;Sudduth, Kenneth A.;Chung, Sun-Ok;Kim, Hak-Jin
    • Journal of Biosystems Engineering
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    • v.33 no.6
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    • pp.430-437
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    • 2008
  • Optical diffuse reflectance sensing in visible and near-infrared wavelength ranges is one approach to rapidly quantify soil properties for site-specific management. The objectives of this study were to investigate effects of preprocessing of reflectance data and determine the accuracy of the reflectance approach for estimating physical and chemical properties of selected Missouri and Illinois, USA surface soils encompassing a wide range of soil types and textures. Diffuse reflectance spectra of air-dried, sieved samples were obtained in the laboratory. Calibrations relating spectra to soil properties determined by standard methods were developed using partial least squares (PLS) regression. The best data preprocessing, consisting of absorbance transformation and mean centering, reduced estimation errors by up to 20% compared to raw reflectance data. Good estimates ($R^2=0.83$ to 0.92) were obtained using spectral data for soil texture fractions, organic matter, and CEC. Estimates of pH, P, and K were not good ($R^2$ < 0.7), and other approaches to estimating these soil chemical properties should be investigated. Overall, the ability of diffuse reflectance spectroscopy to accurately estimate multiple soil properties across a wide range of soils makes it a good candidate technology for providing at least a portion of the data needed in site-specific management of agriculture.

Discrimination of Korean Domestic and Foreign Soybeans using Near Infrared Reflectance Spectroscopy (근적외선분광광도계(NIRS)를 이용한 국내산 콩과 수입콩의 판별분석)

  • Ahn, Hyung-Gyun;Kim, Yong-Ho
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.57 no.3
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    • pp.296-300
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    • 2012
  • Discrimination of geographic origin of agricultural products is a important issue in Korea because the price difference between Korean domestic and imported cereals is a key among some reasons. NIRS (Near Infrared Reflectance Spectroscopy) has been applied to classify the geographical origin of soybeans. Total 135 samples (Korean domestic 92 and foreign 43) were used to obtain calibration equation through 400~2,500 nm wavelength. The math treatment with 1st derivative and 4 nm gap and the modified partial least squares(MPLS)regression was outstanding for calibration equation. The standard error of calibration and determination coefficient in calibration set(n=115) was 6.65 and 0.98, respectively. And it showed that the extra 20 samples for validation equation were identified their authentication correctly. This study describes that the application of NIRS would be possible for discrimination of geographical origin between Korean domestic and imported soybeans.

Applications of Discrete Wavelet Analysis for Predicting Internal Quality of Cherry Tomatoes using VIS/NIR Spectroscopy

  • Kim, Ghiseok;Kim, Dae-Yong;Kim, Geon Hee;Cho, Byoung-Kwan
    • Journal of Biosystems Engineering
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    • v.38 no.1
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    • pp.48-54
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    • 2013
  • Purpose: This study evaluated the feasibility of using a discrete wavelet transform (DWT) method as a preprocessing tool for visible/near-infrared spectroscopy (VIS/NIRS) with a spectroscopic transmittance dataset for predicting the internal quality of cherry tomatoes. Methods: VIS/NIRS was used to acquire transmittance spectrum data, to which a DWT was applied to generate new variables in the wavelet domain, which replaced the original spectral signal for subsequent partial least squares (PLS) regression analysis and prediction modeling. The DWT concept and its importance are described with emphasis on the properties that make the DWT a suitable transform for analyzing spectroscopic data. Results: The $R^2$ values and root mean squared errors (RMSEs) of calibration and prediction models for the firmness, sugar content, and titratable acidity of cherry tomatoes obtained by applying the DWT to a PLS regression with a set of spectra showed more enhanced results than those of each model obtained from raw data and mean normalization preprocessing through PLS regression. Conclusions: The developed DWT-incorporated PLS models using the db5 wavelet base and selected approximation coefficients indicate their feasibility as good preprocessing tools by improving the prediction of firmness and titratable acidity for cherry tomatoes with respect to $R^2$ values and RMSEs.

Fault Detection & SPC of Batch Process using Multi-way Regression Method (다축-다변량회귀분석 기법을 이용한 회분식 공정의 이상감지 및 통계적 제어 방법)

  • Woo, Kyoung Sup;Lee, Chang Jun;Han, Kyoung Hoon;Ko, Jae Wook;Yoon, En Sup
    • Korean Chemical Engineering Research
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    • v.45 no.1
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    • pp.32-38
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    • 2007
  • A batch Process has a multi-way data structure that consists of batch-time-variable axis, so the statistical modeling of a batch process is a difficult and challenging issue to the process engineers. In this study, We applied a statistical process control technique to the general batch process data, and implemented a fault-detection and Statistical process control system that was able to detect, identify and diagnose the fault. Semiconductor etch process and semi-batch styrene-butadiene rubber process data are used to case study. Before the modeling, we pre-processed the data using the multi-way unfolding technique to decompose the data structure. Multivariate regression techniques like support vector regression and partial least squares were used to identify the relation between the process variables and process condition. Finally, we constructed the root mean squared error chart and variable contribution chart to diagnose the faults.

The Procedure of Finding Operating Conditions Minimizing Quality Loss and Case Study (공정 데이터를 이용한 조업 조건 결정 절차와 사례연구)

  • Jeong Il Gyo;Jeon Chi Hyeok
    • Proceedings of the Korean Operations and Management Science Society Conference
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    • 2003.05a
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    • pp.76-80
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    • 2003
  • The procedure of finding operating conditions minimizing qualify loss is proposed with a real industry example. The procedure consists or major two parts - the selection or process variables critical to the response and He determination or operating conditions. The coefficients or ridge regression and the and stores or partial least squares are applied to select important process variables. Functional approach and Non-functional approach are used to find proper operating conditions of important process variables.

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