• Bulletin of the Korean Chemical Society
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• 제27권6호
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• pp.863-868
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• 2006

The partial least squares (PLS-1) calibration model based on spectrophotometric measurement, for the simultaneous determination of sulfite and sulfide is described. This method is based on the difference between the rate of the reaction of sulfide and sulfite with Malachite Green in pH 7.0 buffer solution and at 25 ${^{\circ}C}$. The absorption kinetic profiles of the solutions were monitored by measuring the decrease in the absorbance of Malachite Green at 617 nm in the time range 10-180 s after initiation of the reactions with 2 s intervals. The experimental calibration matrix for partial least squares (PLS-1) calibration was designed with 24 samples. The cross-validation method was used for selecting the number of factors. The results showed that simultaneous determination could be performed in the range 0.030-1.5 and 0.030-1.2 $\mu$g m$L ^{-1}$ for sulfite and sulfide, respectively. The proposed method was successfully applied to simultaneous determination of sulfite and sulfide in water samples and whole human blood.

• Journal of the Korean Data and Information Science Society
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• 제20권5호
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• pp.879-886
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• 2009

본 논문에서는 시장점유율을 추정할 때 최소제곱 서포트벡터기계를 적용하여 보통최소제곱과 최소제곱 서포트벡터기계의 성능을 비교하고자 한다. 최소제곱 서포트벡터기계는 커널 함수를 사용함으로 고차원의 특징 공간에서 선형회귀로 재구성함으로 비선형 회귀문제까지도 해결할 수 있는 장점을 가지고 있다. 그래서 본 논문에서는 비모수 기법인 최소제곱 서포트벡터기계를 이용하여 시장점유율 모형을 추정하고자 한다. 최소제곱 서포트벡터기계를 기반으로 한 모형 추정은 시장점유율 유인모형을 해결하기 위한 좋은 대안이 된다. 최소제곱 서포트벡터기계의 성능을 평가하기 위해 비교 실험에서는 한국 자동차 시장에서 차량 판매량을 이용하여 브랜드별 시장점유율 모형을 추정하였다.

• 충청수학회지
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• 제27권4호
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• pp.675-688
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• 2014

In this paper, we present an efficient way to determine a suitable value of the regularization parameter using the global generalized cross validation and analyze the experimental results from preconditioned global conjugate gradient linear least squares(Gl-CGLS) method in solving image deblurring problems. Preconditioned Gl-CGLS solves general linear systems with multiple right-hand sides. It has been shown in [10] that this method can be effectively applied to image deblurring problems. The regularization parameter, chosen from the global generalized cross validation, with preconditioned Gl-CGLS method can give better reconstructions of the true image than other parameters considered in this study.

• Journal of the Korean Data and Information Science Society
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• 제21권5호
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• pp.831-839
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• 2010

최소제곱 서포트벡터기계는 비선형회귀분석과 분류에 널리 쓰이는 커널기법이다. 본 논문에서는 금융시계열자료의 평균 및 변동성을 추정하기 위하여 평균의 추정 방법으로는 가중최소제곱 서포트벡터기계, 변동성의 추정 방법으로는 최소제곱 서포트벡터기계를 사용하는 비선형 평균 일반화 이분산 자기회귀모형을 제안한다. 제안된 모형은 선형 일반화 이분산 자기회귀모형 및 선형 평균 일반화 이분산 자기회귀모형보다 더 나은 추정 능력을 가진다는 것을 실제자료의 추정을 통하여 보였다.

• 충청수학회지
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• 제29권1호
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• pp.59-71
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• 2016

To obtain more accurate approximation of the true images in the deblurring problems, the weighted global generalized cross validation(GCV) function to the inverse problem with multiple right-hand sides is suggested as an efficient way to determine the regularization parameter. We analyze the experimental results for many test problems and was able to obtain the globally useful range of the weight when the preconditioned global conjugate gradient linear least squares(Gl-CGLS) method with the weighted global GCV function is applied.

• 대한수학회논문집
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• 제11권4호
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• pp.1147-1157
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• 1996

Nonlinear ill-posed problems arise in many application including parameter estimation and inverse scattering. We introduce a least squares regularization method to solve nonlinear ill-posed problems with constraints robustly and efficiently. The regularization method uses Trust-Region approach to handle the constraints on variables. The Generalized Cross Validation is used to choose the regularization parameter in computational tests. Numerical results are given to exhibit faster convergence of the method over other methods.

• Journal of the Korean Wood Science and Technology
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• 제45권4호
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• pp.399-408
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• 2017

Research on the rapid and accurate prediction of physical properties of wood using near-infrared (NIR) spectroscopy has attracted recent attention. In this study, partial least squares analysis was performed between NIR spectra and air-dried specific gravity of five domestic conifer species including larch (Larix kaempferi), Korean pine (Pinus koraiensis), red pine (Pinus densiflora), cedar (Cryptomeria japonica), and cypress (Chamaecyparis obtusa). Fifty different lumbers per species were purchased from the five National Forestry Cooperative Federations of Korea. The air-dried specific gravity of 100 knot- and defect-free specimens of each species was determined by NIR spectroscopy in the range of 680-2500 nm. Spectral data preprocessing including standard normal variate, detrend and forward first derivative (gap size = 8, smoothing = 8) were applied to all the NIR spectra of the specimens. Partial least squares analysis including cross-validation (five groups) was performed with the air-dried specific gravity and NIR spectra. When the performance of the regression model was expressed as $R^2$ (coefficient of determination) and root mean square error of calibration (RMSEC), $R^2$ and RMSEC were 0.63 and 0.027 for larch, 0.68 and 0.033 for Korean pine, 0.62 and 0.033 for red pine, 0.76 and 0.022 for cedar, and 0.79 and 0.027 for cypress, respectively. For the calibration model, which contained all species in this study, the $R^2$ was 0.75 and the RMSEC was 0.37.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1511-1511
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• 2001

Energy content, expressed as calories per gram, is an important part of the evaluation and marketing of foods in developed countries. Currently accepted methods of measurement of energy by U.S. food labeling legislation include measurement of gross calories by bomb calorimetry with an adjustment for undigested protein and by calculation using specific factors for the energy values of protein, carbohydrate less the amount of insoluble dietary fiber, and total fat. The ability of NIRS to predict the energy value of diverse, processed and unprocessed cereal food products was investigated. NIR spectra of cereal products were obtained with an NIR Systems monochromator and the wavelength range used for analysis was 1104-2494 nm. Gross energy of the foods was measured by oxygen bomb calorimetry (Parr Manual No. 120) and expressed as calories per gram (CPGI, range 4.05-5.49 cal/g). Energy value was adjusted for undigested protein (CPG2, range 3.99-5.38 cal/g) and undigested protein and insoluble dietary fiber (CPG3, range 2.42-5.35 cal/g). Using a multivariate analysis software package (ISI International, Inc.) partial least squares models were developed for the prediction of energy content. The standard error of cross validation and multiple coefficient of determination for CPGI using modified partial least squares regression (n=127) was 0.060 cal/g and 0.95, respectively, and the standard error of performance, coefficient of determination, bias and slope using an independent validation set (n=59) were 0.057 cal/g, 0.98, -0.027 cal/g and 1.05 respectively. The PLS loading for factor 1 (Pearson correlation coefficient 0.92) had significant absorption peaks correlated to C-H stretch groups in lipid at 1722/1764 nm and 2304/2346 nm and O-H groups in carbohydrate at 1434 and 2076 nm. Thus the model appeared to be predominantly influenced by lipid and carbohydrate. Models for CPG2 and CPG3 showed similar trends with standard errors of performance, using the independent validation set, of 0.058 and 0.088 cal/g, respectively, and coefficients of determination of 0.96. Thus NIRS provides a rapid and efficient method of predicting energy content of diverse cereal foods.

• 한국가스학회지
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• 제16권1호
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• pp.26-32
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• 2012

화학물질의 화재위험을 나타내는 가장 중요한 물성의 하나인 자연발화점의 실험 데이터는 그 필요에도 불구하고 데이터를 얻는 것이 어려운 경우가 많다. 이 연구에서는 DIPPR 801에서 얻은 503개 유기물의 자연발화점 실험데이터로부터 자연발화점을 예측하는 부분최소자승법(PLS) 및 support vector machine(SVM) 모델을 만들고 비교하였다. 그룹기여법을 이용하여 59개 작용기가 이 예측모델의 독립변수가 되었다. 두 모델에서 결정해야 할 매개변수는 교차검증으로 계산된 오차를 이용하여 결정되었고, SVM모델은 그 매개변수가 많아 particle swarm optimization을 이용한 최적화를 이용하였다. 전체 데이터에 대해 계산된 평균절대오차는 PLS가 58.59K였고, SVM이 29.11K여서 SVM이 PLS에 비해 매우 우수한 예측성능을 보였다.

• Structural Engineering and Mechanics
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• 제83권3호
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• pp.293-304
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• 2022

In this work, a novel reliability approach for combined high and low cycle fatigue (CCF) estimation is developed by combining active learning strategy with least squares support vector machines (LS-SVM) (named as ALS-SVM) surrogate model to address the multi-resources uncertainties, including working loads, material properties and model itself. Initially, a new active learner function combining LS-SVM approach with Monte Carlo simulation (MCS) is presented to improve computational efficiency with fewer calls to the performance function. To consider the uncertainty of surrogate model at candidate sample points, the learning function employs k-fold cross validation method and introduces the predicted variance to sequentially select sampling. Following that, low cycle fatigue (LCF) loads and high cycle fatigue (HCF) loads are firstly estimated based on the training samples extracted from finite element (FE) simulations, and their simulated responses together with the sample points of model parameters in Coffin-Manson formula are selected as the MC samples to establish ALS-SVM model. In this analysis, the MC samples are substituted to predict the CCF reliability of turbine blades by using the built ALS-SVM model. Through the comparison of the two approaches, it is indicated that the reliability model by linear cumulative damage rule provides a non-conservative result compared with that by the proposed one. In addition, the results demonstrate that ALS-SVM is an effective analysis method holding high computational efficiency with small training samples to gain accurate fatigue reliability.