• Title/Summary/Keyword: LEAST SQUARES CROSS-VALIDATION

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Application of AutoFom III equipment for prediction of primal and commercial cut weight of Korean pig carcasses

  • Choi, Jung Seok;Kwon, Ki Mun;Lee, Young Kyu;Joeng, Jang Uk;Lee, Kyung Ok;Jin, Sang Keun;Choi, Yang Il;Lee, Jae Joon
    • Asian-Australasian Journal of Animal Sciences
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    • v.31 no.10
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    • pp.1670-1676
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    • 2018
  • Objective: This study was conducted to enable on-line prediction of primal and commercial cut weights in Korean slaughter pigs by AutoFom III, which non-invasively scans pig carcasses early after slaughter using ultrasonic sensors. Methods: A total of 162 Landrace, Yorkshire, and Duroc (LYD) pigs and 154 LYD pigs representing the yearly Korean slaughter distribution were included in the calibration and validation dataset, respectively. Partial least squares (PLS) models were developed for prediction of the weight of deboned shoulder blade, shoulder picnic, belly, loin, and ham. In addition, AutoFom III's ability to predict the weight of the commercial cuts of spare rib, jowl, false lean, back rib, diaphragm, and tenderloin was investigated. Each cut was manually prepared by local butchers and then recorded. Results: The cross-validated prediction accuracy ($R^2cv$) of the calibration models for deboned shoulder blade, shoulder picnic, loin, belly, and ham ranged from 0.77 to 0.86. The $R^2cv$ for tenderloin, spare rib, diaphragm, false lean, jowl, and back rib ranged from 0.34 to 0.62. Because the $R^2cv$ of the latter commercial cuts were less than 0.65, AutoFom III was less accurate for the prediction of those cuts. The root mean squares error of cross validation calibration (RMSECV) model was comparable to the root mean squares error of prediction (RMSEP), although the RMSECV was numerically higher than RMSEP for the deboned shoulder blade and belly. Conclusion: AutoFom III predicts the weight of deboned shoulder blade, shoulder picnic, loin, belly, and ham with high accuracy, and is a suitable process analytical tool for sorting pork primals in Korea. However, AutoFom III's prediction of smaller commercial Korean cuts is less accurate, which may be attributed to the lack of anatomical reference points and the lack of a good correlation between the scanned area of the carcass and those traits.

Use of Near-Infrared Spectroscopy for Estimating Fatty Acid Composition in Intact Seeds of Rapeseed

  • Kim, Kwan-Su;Park, Si-Hyung;Choung, Myoung-Gun;Jang, Young-Seok
    • Journal of Crop Science and Biotechnology
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    • v.10 no.1
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    • pp.13-18
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    • 2007
  • Near-infrared spectroscopy(NIRS) was used as a rapid and nondestructive method to determine the fatty acid composition in intact seed samples of rapeseed(Brassica napus L.). A total of 349 samples(about 2 g of intact seeds) were scanned in the reflectance mode of a scanning monochromator, and the reference values for fatty acid composition were measured by gas-liquid chromatography. Calibration equations for individual fatty acids were developed using the regression method of modified partial least-squares with internal cross validation(n=249). The equations had low SECV(standard errors of cross-validation), and high $R^2$(coefficient of determination in calibration) values(>0.8) except for palmitic and eicosenoic acid. Prediction of an external validation set(n=100) showed significant correlation between reference values and NIRS estimated values based on the SEP(standard error of prediction), $r^2$(coefficient of determination in prediction), and the ratio of standard deviation(SD) of reference data to SEP. The models developed in this study had relatively higher values(> 3.0 and 0.9, respectively) of SD/SEP(C) and $r^2$ for oleic, linoleic, and erucic acid, characterizing those equations as having good quantitative information. The results indicated that NIRS could be used to rapidly determine the fatty acid composition in rapeseed seeds in the breeding programs for high quality rapeseed oil.

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CHALLENGING APPLICATIONS FOR FT-NIR SPECTROSCOPY

  • Goode, Jon G.;Londhe, Sameer;Dejesus, Steve;Wang, Qian
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.4112-4112
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    • 2001
  • The feasibility of NIR spectroscopy as a quick and nondestructive method for quality control of uniformity of coating thickness of pharmaceutical tablets was investigated. Near infrared spectra of a set of pharmaceutical tablets with varying coating thickness were measured with a diffuse reflectance fiber optic probe connected to a Broker IFS 28/N FT-NIR spectrometer. The challenging issues encountered in this study included: 1. The similarity of the formulation of the core and coating materials, 2. The lack of sufficient calibration samples and 3. The non-linear relationship between the NIR spectral intensity and coating: thickness. A peak at 7184 $cm^{-1}$ was identified that differed for the coating material and the core material when M spectra were collected at 2 $cm^{-1}$ resolution (0.4 nm at 7184 $cm^{-1}$). The study showed that the coating thickness can be analyzed by polynomial fitting of the peak area of the selected peak, while least squares calibration of the same data failed due to the lack of availability of sufficient calibration samples. Samples of coal powder and solid pieces of coal were analyzed by FT-NIR diffuse reflectance spectroscopy with the goal of predicting their ash content, percentage of volatile components, and energy content. The measurements were performed on a Broker Vector 22N spectrometer with a fiber optic probe. A partial least squares model was constructed for each of the parameters of interest for solid and powdered sample forms separately. Calibration models varied in size from 4 to 10 PLS ranks. Correlation coefficients for these models ranged from 86.6 to 95.0%, with root-mean-square errors of cross validation comparable to the corresponding reference measurement methods. The use of FT-NIR diffuse reflectance measurement techniques was found to be a significant improvement over existing measurement methodologies in terms of speed and ease of use, while maintaining the desired accuracy for all parameters and sample forms.(Figure Omitted).

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Prediction of movie audience numbers using hybrid model combining GLS and Bass models (GLS와 Bass 모형을 결합한 하이브리드 모형을 이용한 영화 관객 수 예측)

  • Kim, Bokyung;Lim, Changwon
    • The Korean Journal of Applied Statistics
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    • v.31 no.4
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    • pp.447-461
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    • 2018
  • Domestic film industry sales are increasing every year. Theaters are the primary sales channels for movies and the number of audiences using the theater affects additional selling rights. Therefore, the number of audiences using the theater is an important factor directly linked to movie industry sales. In this paper we consider a hybrid model that combines a multiple linear regression model and the Bass model to predict the audience numbers for a specific day. By combining the two models, the predictive value of the regression analysis was corrected to that of the Bass model. In the analysis, three films with different release dates were used. All subset regression method is used to generate all possible combinations and 5-fold cross validation to estimate the model 5 times. In this case, the predicted value is obtained from the model with the smallest root mean square error and then combined with the predicted value of the Bass model to obtain the final predicted value. With the existence of past data, it was confirmed that the weight of the Bass model increases and the compensation is added to the predicted value.

Precipitation Analysis Based on Spatial Linear Regression Model (공간적 상관구조를 포함하는 선형회귀모형을 이용한 강수량 자료 분석)

  • Jung, Ji-Young;Jin, Seo-Hoon;Park, Man-Sik
    • The Korean Journal of Applied Statistics
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    • v.21 no.6
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    • pp.1093-1107
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    • 2008
  • In this study, we considered linear regression model with various spatial dependency structures in order to make more reliable prediction of precipitation in South Korea. The prediction approaches are based on semi-variogram models fitted by least-squares estimation method and restricted maximum likelihood estimation method. We validated some candidate models from the two different estimation methods in terms of cross-validation and comparison between predicted values and observed values measured at different locations.

Prediction of the Chemical Composition and Fermentation Parameters of Winter Rye Silages by Near Infrared Spectroscopy

  • Park, Hyung Soo;Lee, Sang Hoon;Choi, Ki Choon;Lim, Young Cheol;Kim, Ji Hea;Lee, Ki Won;Choi, Gi Jun
    • Journal of The Korean Society of Grassland and Forage Science
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    • v.34 no.3
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    • pp.209-213
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    • 2014
  • This study was carried out to explore the accuracy of near infrared spectroscopy (NIRS) for the prediction of chemical and fermentation parameters of whole crop winter rye silages. A representative population of 216 fresh winter rye silages was used as database for studying the possibilities of NIRS to predict chemical composition and fermentation parameters. Samples of silage were scanned at 1 nm intervals over the wavelength range 680~2,500 nm and the optical data recorded as log 1/Reflectance (log 1/R) and scanned in fresh condition. NIRS calibrations were developed by means of partial least-squares (PLS) regression. NIRS analysis of fresh winter rye silages provided accurate predictions of moisture, acid detergent fiber (ADF), neutral detergent fiber (NDF), crude protein (CP) and pH as well as lactic acid content with correlation coefficients of cross-validation ($R^2cv$) of 0.96, 0.86, 0.79, 0.85, 0.82 and 0.78 respectively and standard error of cross-validation (SECV) of 1.89, 2.02, 2.79, 1.14, 1.47 and 0.46 % DM respectively. Results of this experiment showed the possibility of NIRS method to predict the chemical parameters of winter rye silages as routine analysis method in feeding value evaluation and for farmer advice.

Prediction of the Chemical Composition of Fresh Whole Crop Barley Silages by Near Infrared Spectroscopy

  • Park, Hyung Soo;Lee, Sang Hoon;Lim, Young Cheol;Seo, Sung;Choi, Ki Choon;Kim, Ji Hea;Kim, Jong Geun;Choi, Gi Jun
    • Journal of The Korean Society of Grassland and Forage Science
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    • v.33 no.3
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    • pp.171-176
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    • 2013
  • Near infrared reflectance spectroscopy (NIRS) has become increasingly used as a rapid and accurate method of evaluating some chemical compositions in forages and feedstuff. This study was carried out to explore the accuracy of near infrared spectroscopy (NIRS) for the prediction of chemical parameters of fresh whole crop barley silages. A representative population of 284 fresh whole crop barley silages was used as a database for studying the possibilities of NIRS to predict chemical composition. Samples of silage were scanned at 1 nm intervals over the wavelength range 680~2,500 nm and the optical data were recorded as log 1/Reflectance (log 1/R) and were scanned in fresh condition. NIRS calibrations were developed by means of partial least-squares (PLS) regression. NIRS analysis of fresh whole crop barley silages provided accurate predictions of moisture, acid detergent fiber (ADF), neutral detergent fiber (NDF), crude protein (CP) and pH, as well as lactic acid content with correlation coefficients of cross-validation ($R^2cv$) of 0.96, 0.81, 0.79, 0.84, 0.72 and 0.78, respectively, and standard error of cross-validation (SECV) of 1.26, 2.83, 2.18, 1.19, 0.13 and 0.32% DM, respectively. Results of this experiment showed the possibility of the NIRS method to predict the chemical parameters of fresh whole crop barley silages as a routine analysis method in feeding value evaluation and for farmer advice.

Simultaneous Spectrometric Determination of Caffeic Acid, Gallic Acid, and Quercetin in Some Aromatic Herbs, Using Chemometric Tools

  • Kachbi, Abdelmalek;Abdelfettah-Kara, Dalila;Benamor, Mohamed;Senhadji-Kebiche, Ounissa
    • Journal of the Korean Chemical Society
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    • v.65 no.4
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    • pp.254-259
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    • 2021
  • The purpose of this work is the development of a method for an effective, less expensive, rapid, and simultaneous determination of three phenolic compounds (caffeic acid, gallic acid, and quercetin) widely present in food resources and known for their antioxidant powers. The method relies on partial least squares (PLS) calibration of UV-visible spectroscopic data. This model was applied to simultaneously determine, the concentrations of caffeic acid (CA), gallic acid (GA), and quercetin (Q) in six herb infusion extracts: basil, chive, laurel, mint, parsley, and thyme. A wavelength range (250-400) nm, and an experimental calibration matrix with 21 samples of ternary mixtures composed of CA (6.0-21.0 mg/L), GA (10.0-35.2 mg/L), and Q (6.4-17.5 mg/L) were chosen. Spectroscopic data were mean-centered before calibration. Two latent variables were determined using the contiguous block cross-validation procedure after calculating the root mean square error cross-validation RMSECV. Other statistic parameters: RMSEP, R2, and Recovery (%) were used to determine the predictive ability of the model. The results obtained demonstrated that UV-visible spectrometry and PLS regression were successfully applied to simultaneously quantify the three phenolic compounds in synthetic ternary mixtures. Moreover, the concentrations of CA, GA and Q in herb infusion extracts were easily predicted and found to be 3.918-18.055, 9.014-23.825, and 9.040-13.350 mg/g of dry sample, respectively.

Establishment of a Nondestructive Analysis Method for Lignan Content in Sesame using Near Infrared Reflectance Spectroscopy (근적외선분광(NIRS)을 이용한 참깨의 lignan 함량 비파괴 분석 방법 확립)

  • Lee, Jeongeun;Kim, Sung-Up;Lee, Myoung-Hee;Kim, Jung-In;Oh, Eun-Young;Kim, Sang-Woo;Kim, MinYoung;Park, Jae-Eun;Cho, Kwang-Soo;Oh, Ki-Won
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.67 no.1
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    • pp.61-66
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    • 2022
  • Sesamin and sesamolin are major lignan components with a wide range of potential biological activities of sesame seeds. Near infrared reflectance spectroscopy (NIRS) is a rapid and non-destructive analysis method widely used for the quantitative determination of major components in many agricultural products. This study was conducted to develop a screening method to determine the lignan contents for sesame breeding. Sesamin and sesamolin contents of 482 sesame samples ranged from 0.03-14.40 mg/g and 0.10-3.79 mg/g with an average of 4.93 mg/g and 1.74 mg/g, respectively. Each sample was scanned using NIRS and calculated for the calibration and validation equations. The optimal performance calibration model was obtained from the original spectra using partial least squares (PLS). The coefficient of determination in calibration (R2) and standard error of calibration (SEC) were 0.963 and 0.861 for sesamin and 0.875 and 0.292 for sesamolin, respectively. Cross-validation results of the NIRS equation showed an R2 of 0.889 in the prediction for sesamin and 0.781 for sesamolin and a standard error of cross-validation (SECV) of 1.163 for sesamin and 0.417 for sesamolin. The results showed that the NIRS equation for sesamin and sesamolin could be effective in selecting high lignan sesame lines in early generations of sesame breeding.

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.