• 대한화학회지
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• 제47권1호
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• pp.19-25
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• 2003

흡수 분광법에 의해 얻은 스펙트럼을 주성분분석(principal analysis, PCA) 으로 자료를 요약하여 주성분 회귀분서(principal component regression, PCR)과 부분 최소자승법(partial least squares, PLS)으로 음이온과 비이온 계면활성제(anionic and nonionic surfactant)를 동시에 정량하는 방법에 대하여 연구하였다. 두 가지 계면활성제가 서로 다른 농도로 혼합되어 있는 26개의 시료용액을 400~700 nm 범위에서 스펙트럼을 얻었고, 이를 이용하여 PCR과 PLS회귀모델을 얻었다. 두 가지 계면활성제가 서로 다른 농도로 포함된 5개의 외부검정용 시료들의 스펙트럼들을 이용해서 회귀모델의 적합성을 검정하기 위하여 외부검정용 시료의 농도를 계산하였다. 계산된 농도를 이용하여 relative standard error of prediction(RSEP$_{\alpha}$)를 구하여 회귀모델의 적합성을 검정하였다.

• Korean Chemical Engineering Research
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• 제48권6호
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• pp.717-724
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• 2010

액체의 화재 및 폭발위험을 나타내는 가장 중요한 물성의 하나인 인화점의 실험 데이터는 그 필요에도 불구하고 실제로 데이터를 확보하는 것이 가능하지 않은 경우가 많다. 이 연구에서는 DIPPR 801에서 얻은 893개 유기물의 인화점 실험데이터로부터 인화점을 예측하는 부분최소자승법(PLS) 및 support vector machine(SVM) 모델을 만들고 비교하였다. 분자를 구성하는 각 구성요소들이 분자의 물성에 일정한 기여를 한다는 가정을 이용하여 분자의 물성을 예측하는 방법인 그룹기여법을 이용하여 65개 작용기가 이 예측모델의 독립변수가 되었고 분자량의 로그값이 추가되었다. 두 모델에서 결정해야 할 매개변수는 교차검증에서 계산된 오차를 이용하여 결정되었는데, SVM모델은 그 매개변수가 많아 particle swarm optimization을 이용한 최적화를 이용하였다. 훈련데이터의 선택이 예측성능에 영향을 줄 수 있어 임의로 100개의 데이터 세트를 생성하여 테스트하였다. 전체 데이터에 대해 계산된 평균절대오차는 PLS가 13.86~14.55였고, SVM이 7.44~10.26여서 SVM이 PLS에 비해 매우 우수한 예측성능을 보였다.

• Near Infrared Analysis
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• 제1권1호
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• pp.23-26
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• 2000

The objectives of this study were to examine the ability to predict soluble solid and firmness in intact apple based on the visible/near-infrared spectroscopic technique. Two cultivars of apples, Delicious and Gala, were handled, tested and analyzed. Reflectance spectra, Magness-Taylor (MT) Firmness, and soluble solids in apples were measured sequentially. Maximum and minimum diameters, height, and weight of apples were recorded before the MT firmness tests. Apple samples were divided in to a calibration set and a validation set. The method of partial least squares (PLS) analysis was used. a unique set of PLS loading vectors (factors) was development for soluble solid and firmness. The PLS model showed good relationship between predicted and measured soluble solids in intact apples in the wavelength range of 860∼1078 nm. However, the PLS analysis was not good enough to predict the apple firmness.

• 대한금속재료학회지
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• 제56권11호
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• pp.813-821
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• 2018

The basic oxygen furnace (BOF) steelmaking process in the steel industry is highly complicated, and subject to variations in raw material composition. During the BOF steelmaking process, it is essential to maintain the carbon content and the endpoint temperature at their set points in the liquid steel. This paper presents intelligent models used to estimate the endpoint temperature in the basic oxygen furnace (BOF) steelmaking process. An artificial neural network (ANN) model and a least-squares support vector machine (LSSVM) model are proposed and their estimation performance compared. The classical partial least-squares (PLS) method was also compared with the others. Results of the estimations using the ANN, LSSVM and PLS models were compared with the operation data, and the root-mean square error (RMSE) for each model was calculated to evaluate estimation performance. The RMSE of the LSSVM model 15.91, which turned out to be the best estimation. RMSE values for the ANN and PLS models were 17.24 and 21.31, respectively, indicating their relative estimation performance. The essential input parameters used in the models can be selected by sensitivity analysis. The RMSE for each model was calculated again after a sequential input selection process was used to remove insignificant input parameters. The RMSE of the LSSVM was then 13.21, which is better than the previous RMSE with all 16 parameters. The results show that LSSVM model using 13 input parameters can be utilized to calculate the required values for oxygen volume and coolant needed to optimally adjust the steel target temperature.

• Journal of Pharmaceutical Investigation
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• 제41권6호
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• pp.377-380
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• 2011

The Artemisia princeps (Compositae) has been used in traditional Korean medicine for the treatment of microbial infections and inflammatory diseases. Since A. princeps is generally difficult to be discriminated from A. capillaris, A. caplillaris has been misused in place of A. princeps. To solve this problem, a rapid and nondestructive method for discrimination of A. princeps and A. capillaris samples was developed using near infrared spectroscopy (NIRS) in the present study. A principal component analysis (PCA) and a partial least squares discrimination analysis (PLS-DA) were performed to discriminate two species. As a result, with the use of PLS-DA, A. princeps and A. capillaris were clustered according to their genus. These outcomes indicated that the NIRS could be useful for the discrimination between Artemisia princeps and Artemisia capillaris.

• The Journal of Asian Finance, Economics and Business
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• 제8권1호
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• pp.335-341
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• 2021

This study aims to document empirically the individual factors that influence the intention to do whistleblowing. This study uses several variables, including internal locus of control, external locus of control, and whistleblowing intention. The use of the theory of Planned Behavior in this study is to explain and analyze the perception of behavior control as a determinant of whistleblowing intention. A quantitative research approach is used. The type of data in this study is primary data in the form of a questionnaire. The data collection method in this research is using the survey method. The sampling technique used a nonprobability sampling method, namely, the census method. The census method is the entire population sampled. The population in this study was all employees of the Pratama tax office in West Semarang. The research was conducted by distributing 111 questionnaires. Ninety-one valid questionnaires were returned appropriate for analysis. The data were processed using Partial Least Square-Structural Equation Modeling ((PLS-SEM) using the Warp PLS 7.0 program. WarpPLS 7.0 was used to test hypotheses and the relationship between variables. The study results showed that both internal locus of control and external locus of control affect whistleblowing intention.

• 한국농업기계학회:학술대회논문집
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• 한국농업기계학회 2017년도 춘계공동학술대회
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• pp.44-44
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• 2017

The objective of this study was to evaluate firmness, and sweetness index (SI) of tomatoes (Lycopersicum esculentum) by using hyperspectral imaging (HSI) in the range of 1000-1400 nm. The mean spectra of the 95 matured tomato samples were extracted from the hyperspectral images, and the reference firmness and sweetness index of the same sample were measured and calibrated with their corresponding spectral data by partial least squares (PLS) regression with different preprocessing method. The results showed that the regression model developed by PLS regression based on Savitzky-Golay (S-G) second-derivative preprocessed spectra resulted in better performance for firmness, and SI of tomatoes compared to models developed by other preprocessing methods, with correlation coefficients (rpred) of 0.82, and 0.74 with standard error of prediction (SEP) of 0.86 N, and 0.63 respectively. Then, the feature wavelengths were identified using model-based variable selection method, i.e., variable important in projection (VIP), resulting from the PLS regression analyses and finally chemical images were derived by applying the respective regression coefficient on the spectral image in a pixel-wise manner. The resulting chemical images provided detailed information on firmness, and sweetness index (SI) of tomatoes. Therefore, these research demonstrated that HIS technique has a potential for rapid and non-destructive evaluation of the firmness and sweetness index of tomatoes.

• 한국광학회지
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• 제31권3호
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• pp.125-133
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• 2020

본 논문에서는 다변량 분석법과 결합된 레이저 유도 플라즈마 분광법을 사용하여 겹친 유류 지문을 분리하는 혁신적인 방법을 연구하였다. LIPS는 겹친 유류 지문의 화학 성분에 대한 데이터뿐 아니라 실시간 분석 및 고속 스캐닝이 가능한 분광법이다. 레이저 유도 플라즈마 분광법을 통해 도출된 스펙트럼은 적절한 다변량 분석이 적용되어 법의학적 분류와 겹친 유류 지문의 재구성에 유용한 화학적 성분을 제공한다. 본 연구에서는 LIPS 스펙트럼에서 4가지의 유류 지문을 분류하기 위하여, 주성분 분석 방식과 부분 최소 제곱 회귀 분석을 사용하였다. 제안된 방법은 SIMCA 및 PLS-DA와 같은 구별 방식을 사용하여 4개의 유류 지문의 분류를 성공적으로 입증하였다. 본 연구의 결과는 대략 85% 이상의 정확도를 가졌으며, external validation 실험에서도 분류의 가능함을 보였다. 최종적으로, 125 ㎛의 공간 간격으로 레이저 스캐닝 분석을 통한 겹친 유류 지문의 2차원 형태의 분리가 가능함을 입증하였다.

• 농업과학연구
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• 제45권4호
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• pp.823-837
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• 2018

The objective of this study was to evaluate the firmness and the sweetness index (SI) of tomatoes with a hyperspectral imaging (HSI) technique within the wavelength range of 1000 - 1550 nm. The hyperspectral images of 95 tomatoes were acquired with a push-broom hyperspectral reflectance imaging system, from which the mean spectra of each tomato were extracted from the regions of interest. The reference firmness and sweetness index of the same sample was measured and calibrated with their corresponding spectral data by partial least squares (PLS) regression with different preprocessing methods. The calibration model developed by PLS regression based on the Savitzky-Golay second-derivative preprocessed spectra resulted in a better performance for both the firmness and the SI of the tomatoes compared to models developed by other preprocessing methods. The correlation coefficients ($R_{pred}$) were 0.82, and 0.74 with a standard error of prediction of 0.86 N, and 0.63, respectively. Then, the feature wavelengths were identified using a model-based variable selection method, i.e., variable importance in projection, from the PLS regression analyses. Finally, chemical images were derived by applying the respective regression coefficients on the spectral image in a pixel-wise manner. The resulting chemical images provided detailed information on the firmness and the SI of the tomatoes. The results show that the proposed HSI technique has potential for rapid and non-destructive evaluation of firmness and the sweetness index of tomatoes.

• Journal of Biosystems Engineering
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• 제33권6호
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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.