• Title/Summary/Keyword: partial least square regression

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Multivariate Statistical Analysis Approach to Predict the Reactor Properties and the Product Quality of a Direct Esterification Reactor for PET Synthesis (다변량 통계분석법을 이용한 PET 중합공정 중 직접 에스테르화 반응기의 거동 및 생산제품 예측)

  • Kim Sung Young;Chung Chang Bock;Choi Soo Hyoung;Lee Bomsock;Lee Bomsock
    • Journal of Institute of Control, Robotics and Systems
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    • v.11 no.6
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    • pp.550-557
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    • 2005
  • The multivariate statistical analysis methods, using both multiple linear regression(MLR) and partial least square(PLS), have been applied to predict the reactor properties and the product quality of a direct esterification reactor for polyethylene terephthalate(PET) synthesis. On the basis of the set of data including the flow rate of water vapor, the flow rate of EG vapor, the concentration of acid end groups of a product and other operating conditions such as temperature, pressure, reaction times and feed monomer mole ratio, two multi-variable analysis methods have been applied. Their regression and prediction abilities also have been compared. The prediction results are critically compared with the actual plant data and the other mathematical model based results in reliability. This paper shows that PLS method approach can be used for the reasonably accurate prediction of a product quality of a direct esterification reactor in PET synthesis process.

Nondestructive Determination of Humic Acids in Soils by Near Infrared Reflectance Spectroscopy

  • Seo, Sang-Hyun;Park, Woo-Churl;Cho, Rae-Kwang;Xiaori Han
    • Near Infrared Analysis
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    • v.1 no.1
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    • pp.31-35
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    • 2000
  • Near-infrared reflectance spectroscopy(NIRS) was used to determine the humic acids in soil samples from the fields of different crops and land-use over Youngnam and Honam regions in Korea. An InfraAlyzer 500 scanning spectrophotometer was obtained near infrared relectance spectra of soil at 2-nm intervals from 1100 to 2500nm. Multiple linear regression(MLR) or partial least square regression (PLSR) was used to evaluate a NIRS method for the rapid and nondestructive determination of humic acid, fulvic acid and its total contents in soils. The raw spectral data(log 1/R) can be used for estimating humic acid, fulvic acid and its total contents in soil by MLR procedure between the content of a given constituent and the spectral response of several bands. In which the predicted results for fulvic acid is the best in the constituents. The new spectral data are converted from the raw spectra by PLSR method such as the first derivative of each spectrum can also be used to predict humic acid and fulvic acid of the soil samples. A low SEC, SEP and a high coefficient of correlation in the calibration and validation stages enable selection of the best manipulation. But a simple calibration and prediction method for determining humic acid and fulvic acid should be selected under similar accuracy and precision of prediction. NIRS technique may be an effective method for rapid and nondestructive determination for humic acid, fulvic acid and its total contents in soils.

Nondestructive determination of humic acid in compost by NIRS

  • Seo, Sang-Hyun;Han, Xiao-Ri;Cho, Rae-Kwang;Park, Woo-Churl
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1623-1623
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    • 2001
  • Composting is a biological method used to transform the organic waste into stable, humified organic amendments. Humification is indicated as the key factor in improving the quality of compost, because of the importance of humic substances to soil ecology, fertility and structure, and their beneficial effects on plant growth The compost constituents vary widely, however, the degree of maturity is very important factor in compost quality. So this experiment carried out to determine the rapid estimation of the quality in cattle, pig, chicken and waste composts using near infrared reflectance spectroscopy(NIRS). Near infrared reflectance spectra of composts was obtained by Infra Alyzer 500 scanning spectrophotometer at 2-nm intervals from 1100 to 2500nm. Multiple linear regression(MLR) or partial least square regression (PLSR) was used to evaluate a NIRS method for the rapid and nondestructive determination of humic acid contents in composts. The results summarized that NIR spectroscopy can be used as a routine testing method to determine quantitatively the humic acid content in the compost samples ondestructively. Especially, we supposed that absorbance around 2300nm is related to humic acid as a factor of compost maturity. However the NIR absorption approach is empirical, it actually requires many combinations of samples and data manipulations to obtain optimal prediction.

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A Study of Piping Leadtime Forecast in Offshore Plant’s Outfittings Procurement Management (해양플랜트 의장품 조달관리를 위한 배관 공정 리드타임 예측 모델에 관한 연구)

  • Ham, Dong Kyun;Back, Myung Gi;Park, Jung Goo;Woo, Jong Hun
    • Journal of the Society of Naval Architects of Korea
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    • v.53 no.1
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    • pp.29-36
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    • 2016
  • In shipbuilding and offshore plant construction, pipe-stools of various types are installed. Moreover, these are many quantities but they must be installed in a successive manner. Due to these characteristics the pipe-stool installation processes easily tends to cause the schedule delays in the overall production processes. In order to reduce delay, the goal of this study is to predicts production’s lead time before manufacturing. Through this predictions it’s expected to reduce total production’s lead time by improving it's process. First of all, we made MLR(Multiple Linear Regression) and PLSR(Partial Least Square Regression) model to predict pipe-spool's lead time and then compared predictability of MLR and PLSR model. If a explanatory variable is added, it will be possible to predict results precisely.

Determination of Hydrogen Peroxide Concentration by Portable Near-Infrared (NIR) System (근적외분광분석법을 이용한 과산화수소의 농도 측정)

  • 임현량;우영아;장수현;김경미;김효진
    • YAKHAK HOEJI
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    • v.46 no.5
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    • pp.324-330
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    • 2002
  • This experiment was carried out to determine non-destructively the hydrogen peroxide concentration of 3% antiseptic hydrogen peroxide solutions by portable near-infrared (NIR) system. Hydrogen peroxide standards were prepared ranging from 0 to 25.6 w/w% and the NIR spectra of hydrogen peroxide standard solutions were collected by using a quartz cell in 1 mm pathlength. We found the variation of absorbance band due to OH vibration of hydrogen peroxide depending on the concentration around 1400 nm in the second derivatives spectra. Partial least square regression (PLSR) and multilinear regression (MLR) were explored to develop a calibration model over the spectral range 1100-1720 nm. The model using PLSR was better than that using MLR. The calibration showed good results with a standard error of prediction (SEP) of 0.16%. In order to validate the developed calibration model, routine analyses were performed using commercial antiseptic hydrogen peroxide solutions. The hydrogen peroxide values from the NIR calibration model were compared with the values from a redox titration method. The NIR routine analyses results showed good correlation with those of the redox titration method. This study showed that the rapid and non-destructive determination of hydrogen peroxide in the antiseptic solution was successfully performed by portable NIR system without very harmful solvents.

Accounting Earnings Response Coefficient: Is the Earning Response Coefficient Better or Not

  • PARAMITA, Ratna Wijayanti Daniar;FADAH, Isti;TOBING, Diana Sulianti K.;SUROSO, Imam
    • The Journal of Asian Finance, Economics and Business
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    • v.7 no.10
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    • pp.51-61
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    • 2020
  • The study aims to compare whether using Earnings Response Coefficient (ERC) is better than using the new concept of Accounting Earnings Response Coefficient (AERC) in determining the earnings quality response coefficient value. Also, the study seeks to explain the effect of company characteristics and corporate governance on AERC through voluntary disclosure and information asymmetry. Research samples include 69 manufacturing companies listed on the Indonesian Stock Exchange over the period 2014-2017. The data come from annual reports, stock market prices, CSPI, EPS, stock returns and market returns. The research model is tested using the structural equation model (SEM) with partial least square (PLS). The results showed the value of the earnings response coefficient produced by AERC and ERC was different. Earnings quality resulting from AERC regression by adding CFO values better reflects the actual earnings quality. These results are consistent with the concept built from the proposition about earnings quality at AERC, that quality earnings are informative accounting earnings. The theoretical findings of this study provide an explanation that operational cash flow plays a role in evaluating earnings quality, while providing reinforcement that the ERC regression model fails to detect stock market reactions to information relevant to the aggregated values of accounting earnings.

Discrimination of African Yams Containing High Functional Compounds Using FT-IR Fingerprinting Combined by Multivariate Analysis and Quantitative Prediction of Functional Compounds by PLS Regression Modeling (FT-IR 스펙트럼 데이터의 다변량 통계분석을 이용한 고기능성 아프리칸 얌 식별 및 기능성 성분 함량 예측 모델링)

  • Song, Seung Yeob;Jie, Eun Yee;Ahn, Myung Suk;Kim, Dong Jin;Kim, In Jung;Kim, Suk Weon
    • Horticultural Science & Technology
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    • v.32 no.1
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    • pp.105-114
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    • 2014
  • We established a high throughput screening system of African yam tuber lines which contain high contents of total carotenoids, flavonoids, and phenolic compounds using ultraviolet-visible (UV-VIS) spectroscopy and Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. The total carotenoids contents from 62 African yam tubers varied from 0.01 to $0.91{\mu}g{\cdot}g^{-1}$ dry weight (wt). The total flavonoids and phenolic compounds also varied from 12.9 to $229{\mu}g{\cdot}g^{-1}$ and from 0.29 to $5.2mg{\cdot}g^{-1}$dry wt. FT-IR spectra confirmed typical spectral differences between the frequency regions of 1,700-1,500, 1,500-1,300 and $1,100-950cm^{-1}$, respectively. These spectral regions were reflecting the quantitative and qualitative variations of amide I, II from amino acids and proteins ($1,700-1,500cm^{-1}$), phosphodiester groups from nucleic acid and phospholipid ($1,500-1,300cm^{-1}$) and carbohydrate compounds ($1,100-950cm^{-1}$). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate the 62 African yam tuber lines into three separate clusters corresponding to their taxonomic relationship. The quantitative prediction modeling of total carotenoids, flavonoids, and phenolic compounds from African yam tuber lines were established using partial least square regression algorithm from FT-IR spectra. The regression coefficients ($R^2$) between predicted values and estimated values of total carotenoids, flavonoids and phenolic compounds were 0.83, 0.86, and 0.72, respectively. These results showed that quantitative predictions of total carotenoids, flavonoids, and phenolic compounds were possible from FT-IR spectra of African yam tuber lines with higher accuracy. Therefore we suggested that quantitative prediction system established in this study could be applied as a rapid selection tool for high yielding African yam lines.

Soil Water Content Measurement Technology Using Hyperspectral Visible and Near-Infrared Imaging Technique (초분광 근적외선 영상 기술을 이용한 흙의 함수비 측정 기술)

  • Lim, Hwan-Hui;Cheon, Enok;Lee, Deuk-Hwan;Jeon, Jun-Seo;Lee, Seung-Rae
    • Journal of the Korean Geotechnical Society
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    • v.35 no.11
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    • pp.51-62
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    • 2019
  • In this study, a simple method to estimate the soil water content variation in a wide area was proposed using hyperspectral near-infrared images. The reflectance data of a sand, granite soils, and a kaolinite were measured by reflecting the soil samples with different wavelengths in the visible and near-infrared (VNIR) regions using hyperspectral cameras. The measured reflectances and parameters were used to build a water content prediction model using the Partial Least Square Regression (PLSR) analysis. In the water content prediction model, the Area of Reflectance (Near-infrared, NIR) parameter was the most suitable parameter to determine the water content. The parameter was applicable regardless of the soil type, as the coefficient of determination (R2) exceeded 0.9 for each soil sample. Additionally, the mean absolute percentage error (MAPE) was less than 15% when compared with the actual water content of the soil. Therefore, the predictability of water content variation for soils with water content lower than 50% was confirmed. Accordingly through this study, the predictability of water content variation in several soil types using the hyperspectral near-infrared images was confirmed. For further development, a model that incorporates soil classification would be required to improve the accuracy of the model and to predict higher range of water contents.

Compensation of Surface Temperature Effect in Determination of Sugar Content of Shingo Pears using NIR (근적외선을 이용한 신고 배 당도판정에 있어 표면 온도영향의 보정)

  • 이강진;최규홍;김기영;최동수
    • Journal of Biosystems Engineering
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    • v.27 no.2
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    • pp.117-124
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    • 2002
  • This research was conducted to develop a method to remove the effect of surface temperature of Shingo pears for sugar content measurement. Sugar content was measured by a near-infrared spectrum analysis technique. Reflected spectrum and sugar content of a pear were used for developing regression models. For the model development, reflected spectrums having wavelengths in the range of 654 to 1,052nm were used. To remove the effect of surface temperature, special sample preparation techniques and partial least square (PLS) regression models were proposed and tested. 71 Shingo pears stored in a cold storage, which had 2$^{\circ}C$ inside temperature, were taken out and left in a room temperature for a while. Temperature and reflected spectrum of each pear was measured. To increase the temperature distribution of samples, temperature and reflected spectrum of each pear was measured four times with one hour twenty minutes interval. During the experiment, temperature of pears increased up to 17 $^{\circ}C$. The total number of measured spectrum was 284. Three groups of spectrum data were formed according to temperature distribution. First group had surface temperature of 14$^{\circ}C$ and total number of 51. Second group consisted of the first and the fourth experiment data which contained the minimum and the maximum temperatures. Third group consisted of 155 data with normal temperature-distribution. The rest data set were used for model evaluation. Results shelved that PLS model I, which was developed by using the first data group, was inadequate for measuring sugar content of pears which had different surface temperatures from 14$^{\circ}C$. After temperature compensation, sugar content predictions became close to the measured values. Since using many data which had wide range of surface temperatures, PLS model II and III were able to predict sugar content of pears without additional temperature compensation. PLS model IV, which included the surface temperatures as an independent variable. showed slightly improved performance(R$^2$=0.73). Performance of the model could be enhanced by using samples with more wide range of temperatures and sugar contents.

Mid-infrared (MIR) spectroscopy for the detection of cow's milk in buffalo milk

  • Anna Antonella, Spina;Carlotta, Ceniti;Cristian, Piras;Bruno, Tilocca;Domenico, Britti;Valeria Maria, Morittu
    • Journal of Animal Science and Technology
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    • v.64 no.3
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    • pp.531-538
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    • 2022
  • In Italy, buffalo mozzarella is a largely sold and consumed dairy product. The fraudulent adulteration of buffalo milk with cheaper and more available milk of other species is very frequent. In the present study, Fourier transform infrared spectroscopy (FTIR), in combination with multivariate analysis by partial least square (PLS) regression, was applied to quantitatively detect the adulteration of buffalo milk with cow milk by using a fully automatic equipment dedicated to the routine analysis of the milk composition. To enhance the heterogeneity, cow and buffalo bulk milk was collected for a period of over three years from different dairy farms. A total of 119 samples were used for the analysis to generate 17 different concentrations of buffalo-cow milk mixtures. This procedure was used to enhance variability and to properly randomize the trials. The obtained calibration model showed an R2 ≥ 0.99 (R2 cal. = 0.99861; root mean square error of cross-validation [RMSEC] = 2.04; R2 val. = 0.99803; root mean square error of prediction [RMSEP] = 2.84; root mean square error of cross-validation [RMSECV] = 2.44) suggesting that this method could be successfully applied in the routine analysis of buffalo milk composition, providing rapid screening for possible adulteration with cow's milk at no additional cost.