• 제목/요약/키워드: Partial least squares method

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MLS 차분법을 이용한 동적균열전파 해석 (Analysis of Dynamic Crack Propagation using MLS Difference Method)

  • 윤영철;김경환;이상호
    • 한국전산구조공학회논문집
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    • 제27권1호
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    • pp.17-26
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    • 2014
  • 본 논문은 MLS(Moving Least Squares) 차분법을 바탕으로 동적균열전파 해석을 수행하기 위한 알고리즘을 제시한다. MLS 차분법은 절점만으로 이루어진 수치모델을 사용하며, 이동최소제곱법을 이용하여 전개한 Taylor 다항식을 기초로 미분근사식을 유도하기 때문에, 요소망의 제약에서 완벽하게 벗어난 절점해석이 가능하다. 시간항을 포함하는 동적 평형방정식은 Newmark 방법으로 시간적분 하였다. 동적하중을 받는 균열이 전파할 때, 매 시간단계마다 절점모델을 재구성하지 않고 균열선단 주변에서 국부적인 수정을 통해 해석이 가능하다. 동적균열을 묘사하기 위해 가시한계법(visibility criterion)을 적용하였고, 동적 에너지해방률을 산정하여 균열의 진전유무와 그에 상응하는 진전방향을 결정하였다. 모드 I 상태와 혼합모드 상태에서 균열이 진전하는 현상을 모사하였고, 이론해와 Element-Free Galerkin법으로 계산한 결과와의 비교를 통해 개발된 알고리즘의 정확성과 안정성을 검증하였다.

Molecular modeling of COX-2 inhibitors: 3D-QSAR and docking studies

  • Kim, Hye-Jung;Chae, Chong-Hak;Yoo, Sung-Eun;Yi, Kyu-Yang;Park, Kyung-Lae
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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    • pp.65.2-65.2
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    • 2003
  • 88 selective COX-2 inhibitors belonging to three chemical classes (triaryl rings, diaryl cycloalkanopyrazoles, and diphenyl hydrazides) were studied using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). Partial least squares analysis produced statistically significant models with q values of 0.84 and 0.79 for CoMFA and CoMSIA, respectively. The key spatial properties were detected by careful analysis of the isocontour maps. The binding energies calculated from flexible docking correlated with inhibitory activities by the least-squares fit method. (omitted)

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Analyzing Management Factors on Enterprise Performance

  • Dahlgaard, Jens J.;Ciavolino, Enrico
    • International Journal of Quality Innovation
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    • 제8권3호
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    • pp.1-10
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    • 2007
  • A sample of Italian manufacturing companies was selected in order to verify the abilities and effects (relationships) of the management factors human resources, leadership and strategic planning on company performance. The Partial Least Squares (PLS) estimation method was used for analyzing the data collected, where the relationships between the management factors and performance were formalized by a Structural Equation Model (SEM). The analysis of the survey data showed unexpected result regarding the non significant direct relationship between Leadership and Performance. The effect of Leadership is obtained by an indirect relationship through Human Resources. The combination of Leadership and Human Resources has hence been identified as the management factors which have the highest impact on the performance of Italian industrial companies. Another interesting and unexpected result was that there was no significant impact of Strategic Planning on Performance. It seems that the leaders of Italian industrial companies have not understood that good strategic planning is a necessary condition for achieving excellence. So another improvement area is in fact Strategic Planning. This area should have the highest priority of any top management team and the focus should include how to establish a strong relationship between strategic planning and performance. No correlation between strategic planning and performance is a strong indication that something is wrong. It is not enough that Leadership is doing Strategic Planning-Leadership is also about studying and follow up on results in order to assure impacts on performance. This link seems to be missing in Italian industrial companies.

Simultaneous Determination of Polycyclic Aromatic Hydrocarbons by Near Infrared Spectroscopy using a Partial Least Squares Regression

  • Nam, Jae-Jak;Lee, Sang-Hak;Park, Ju-Eun
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1276-1276
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    • 2001
  • Polycyclic aromatic hydrocarbons(PAHs) are widely distributed in the environment and are often implicated as potential carcinogens. The chromatographic methods of detection and quantitative determination of PAHs in environmental samples are costly, time consuming, and do not account for all kinds of PAHs. This work describes a quantitative spectroscopic method for the analysis of mixtures of eight PAHs using multivariate calibration models for Fourier transform near infrared(FT-NIR) spectral data. The NIR spectra of mixtures of PAHs (anthracene, pyrene, 1,2-benzanthracene, perylene, chrysene, benzo(a)pyrene, 1-methylanthracene and benzo(ghi)perylene) were measured in the wavelength range from 1100 nm to 2500 nm. The spectral data were processed using a partial least squares regression. We have studied the spectral characteristics of NIR spectra of mixtures of PAHs. It was possible to determine each PAM used in this study at the environmental level(mg L-1) in the laboratory samples. Further development may lead to the rapid determination of more PAHs in typical environmental samples.

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경인지역 가스 수송을 위한 배관망시스템의 모사 및 분석 (Simulation and Analysis of a Gas Pipeline Network in Kyungin Area using Statistical Approach)

  • 이은룡;장승룡;김인원
    • 한국가스학회지
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    • 제1권1호
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    • pp.14-20
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    • 1997
  • 배관망의 해석은 유체역학을 필요로 하며 관내의 유체의 거동과 운전상태에 따른 유동 해석을 위해 여러 식들이 사용되어왔다. 본 연구에서는 정상상태의 유량방정식을 사용해 경인지역가스 배관망에 대한 수학적 모델을 만들고 모사 및 분석을 수행하였다. 개발된 수학적 모델에서 얻어진 데이터에 통계학적인 방법을 도입해 통계학적 모델을 만듦으로써 통계학적 모델을 이용한 배관망 해석의 가능성에 대해 검토하였다.

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적외선 분광학에 의한 간질액 글루코즈 농도 측정의 정확도 향상 (Accuracy improvement in the interstitial glucose measurement based on infrared spectroscopy)

  • 정혜진;김미숙;노인섭;윤길원
    • 센서학회지
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    • 제17권2호
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    • pp.120-126
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    • 2008
  • Glucose concentrations in the interstitial fluid were measured based on optical spectroscopy. Prediction of glucose concentrations was made using partial least squares regression and accuracy improvement was achieved by data preprocessing as well as by selecting an optimal wavelength region. For this purpose, artificial interstitial fluid samples were prepared where their glucose levels varied between 0 and 10 g/dl. Infrared spectral regions where glucose absorption lies were investigated. A region of 1000 - 1500 $cm^{-1}$ produced the best accuracy among the regions of 1000 - 1500 $cm^{-1}$, 4000 - 4545 $cm^{-1}$1 and 5500 - 6500 $cm^{-1}$. Further accuracy improvement in 1000 - 1500 $cm^{-1}$ was achieved by selecting specific wavelength bands based on a loading vector analysis method. For the samples whose glucose concentrations ranged between 0 and 0.5 g/dl, SEP= 0.0266 g/dl and R =0.9863 were achieved with 1000 - 1500 $cm^{-1}$. However, the loading vector optimized band of 1002 - 1095 $cm^{-1}$ reduced the prediction error up to 47 % (SEP =0.0125 g/dl and R=0.9970).

A Study on Factor Analytical Methods and Procedures for PLS-SEM (Partial Least Squares Structural Equation Modeling)

  • YIM, Myung-Seong
    • 산경연구논집
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    • 제10권5호
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    • pp.7-20
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    • 2019
  • Purpose - This study provides appropriate procedures for EFA to help researchers conduct empirical studies by using PLS-SEM. Research design, data, and methodology - This study addresses the absolute and relative sample size criteria, sampling adequacy, factor extraction models, factor rotation methods, the criterion for the number of factors to retain, interpretation of results, and reporting information. Results - The factor analysis procedure for PLS-SEM consists of the following five stages. First, it is important to look at whether both the Bartlett test of sphericity and the KMO MSA meet the qualitative criteria. Second, PAF is a better choice of methodology. Third, an oblique technique is a suitable method for PLS-SEM. Fourth, a combined approach is strongly recommended to factor retention. PA should be used at the onset. Next, it is recommended using the K1 criterion. In addition, it is necessary to extract factors that increase the total variance explanatory power through the PVA-FS. Finally, it is appropriate to select an item with a factor loading into 0.5 or higher and a communality of 0.5. Conclusions - It is expected that the accurate factor analysis processed for PLS-SEM as previously presented will help us extract more precise factors of the structural model.

1100∼2200 nm 파장 영역의 휴대용 근적외선 분광분석기를 이용한 사람피부의 수분측정 (Determination of Human Skin Moisture in the Near-Infrared Region from 1100 to 2200 nm by Portable NIR System)

  • 안지원;서은정;우영아;김효진
    • 약학회지
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    • 제47권3호
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    • pp.148-153
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    • 2003
  • Skin moisture is an important factor in skin health. Measurement of moisture content can provide diagnostic information on the condition of skin. In this study, a portable near-infrared (NIR) system was newly integrated with a photo diode array detector that has no moving parts, and this system has been successfully applied for the evaluation of human skin moisture. Diffuse reflectance spectra were collected and transformed to absorbance using 1 nm step size over the wavelength range of 1100 nm to 2200 nm. Partial least squares regression (PLSR) was applied to develop a calibration model. For practical use for the evaluation of human skin moisture, the PLS model for human skin moisture was developed in vivo using the portable NIR system on the basis of the relative water content values of stratum corneum from the conventional capacitance method. The PLS model showed a good correlation. The calibration with the use of PLS model predicted human moisture with a standard error of prediction (SEP) of 3.5 at 1120∼1730 nm range. This study showed the possibility of skin moisture measurement using portable NIR system.

이동최소제곱 유한차분법을 이용한 응력집중문제 해석(I) : 고체문제의 정식화 (Analysis of Stress Concentration Problems Using Moving Least Squares Finite Difference Method(I) : Formulation for Solid Mechanics Problem)

  • 윤영철;김효진;김동조;윙 캠 리우;테드 벨리치코;이상호
    • 한국전산구조공학회논문집
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    • 제20권4호
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    • pp.493-499
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    • 2007
  • 본 연구에서는 미분 가능한 함수가 Taylor 전개로 표현되고 그 계수들은 주어진 함수와 미분에 대한 근사값을 제공할 수 있다는 점에 착안하여 m차 Taylor 다항식을 구성하고 이동최소제곱법을 이용하여 그 계수들을 구했다. 계산된 근사함수와 미분을 콜로케이션 개념을 바탕으로 균열 문제를 포함하는 고체문제에 대한 지배 미분방정식에 적용하여 차분식 형태의 이산화된 계방정식을 구성하였다. 본 연구의 해석기법은 격자망(grid)에 의존적이고 근사함수가 없는 유한차분법과 형상함수의 미분과 약형식의 적분산정, 필수경계조건 처리가 어려운 Galerkin법 기반의 무요소법의 단점을 효과적으로 극복한 새로운 수치기법이다.

탄성균열해석을 위한 그리드 없는 유한차분법 (A Gridless Finite Difference Method for Elastic Crack Analysis)

  • 윤영철;김동조;이상호
    • 한국전산구조공학회논문집
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    • 제20권3호
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    • pp.321-327
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    • 2007
  • 본 연구는 탄성균열문제를 신속하고 정확하게 해석할 수 있는 새로운 개념의 그리드(grid) 없는 유한차분법을 제시한다. 이동최소제곱법을 이용한 Taylor 전개식 구성을 통해 직접적인 미분계산 없이 근사함수와 그 미분을 손쉽게 계산한다. 그리드로 인한 절점 간의 종속성이 없어 해석영역 내의 불연속면 모델링이 용이하여 차분식 구성시 균열로 인한 불연속 효과를 고려하는 과정도 자연스럽다. 유한차분법에 근간을 두고 있어 지배 미분방정식을 직접 이산화하기 때문에 수치적분이 필요한 수치기법에 비해 계산속도도 빠르다. 모드 I과 모드 II 균열문제 해석을 통해 본 해석기법이 정확하고 효율적으로 응력확대계수를 계산할 수 있음을 보였다.