• Title/Summary/Keyword: Partial least squares method

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

  • Yoon, Young-Cheol;Kim, Kyeong-Hwan;Lee, Sang-Ho
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.27 no.1
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    • pp.17-26
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    • 2014
  • This paper presents a dynamic crack propagation algorithm based on the Moving Least Squares(MLS) difference method. The derivative approximation for the MLS difference method is derived by Taylor expansion and moving least squares procedure. The method can analyze dynamic crack problems using only node model, which is completely free from the constraint of grid or mesh structure. The dynamic equilibrium equation is integrated by the Newmark method. When a crack propagates, the MLS difference method does not need the reconstruction of mode model at every time step, instead, partial revision of nodal arrangement near the new crack tip is carried out. A crack is modeled by the visibility criterion and dynamic energy release rate is evaluated to decide the onset of crack growth together with the corresponding growth angle. Mode I and mixed mode crack propagation problems are numerically simulated and the accuracy and stability of the proposed algorithm are successfully verified through the comparison with the analytical solutions and the Element-Free Galerkin method results.

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
    • Proceedings of the PSK Conference
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    • 2003.10b
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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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    • v.8 no.3
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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
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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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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Simulation and Analysis of a Gas Pipeline Network in Kyungin Area using Statistical Approach (경인지역 가스 수송을 위한 배관망시스템의 모사 및 분석)

  • Lee Eun-Lyong;Chang Seung-Yong;Kim In-Won
    • Journal of the Korean Institute of Gas
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    • v.1 no.1
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    • pp.14-20
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    • 1997
  • Pipeline network analysis requires fluid mechanics. A lot of equations have been used for flow analysis according to the behavior of fluid in pipelines and the operative situations. In this paper, simulation and analysis have been performed for the pipeline network system in Kyungin area using a steady-state mathematical model. Then, a statistical model using partial least squares(PLS) method has been developed with the data obtained from the developed mathematical model. The results showed that it is possible to simulate and analyze pipeline network systems using statistical approach.

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

  • Jeong, Hey-Jin;Kim, Mi-Sook;Noh, In-Sup;Yoon, Gil-Won
    • Journal of Sensor Science and Technology
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    • v.17 no.2
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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
    • The Journal of Industrial Distribution & Business
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    • v.10 no.5
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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.

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

  • 안지원;서은정;우영아;김효진
    • YAKHAK HOEJI
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    • v.47 no.3
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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.

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

  • Yoon, Young-Cheol;Kim, Hyo-Jin;Kim, Dong-Jo;Liu, Wing Kam;Belytschko, Ted;Lee, Sang-Ho
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.20 no.4
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    • pp.493-499
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    • 2007
  • The Taylor expansion expresses a differentiable function and its coefficients provide good approximations for the given function and its derivatives. In this study, m-th order Taylor Polynomial is constructed and the coefficients are computed by the Moving Least Squares method. The coefficients are applied to the governing partial differential equation for solid problems including crack problems. The discrete system of difference equations are set up based on the concept of point collocation. The developed method effectively overcomes the shortcomings of the finite difference method which is dependent of the grid structure and has no approximation function, and the Galerkin-based meshfree method which involves time-consuming integration of weak form and differentiation of the shape function and cumbersome treatment of essential boundary.

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

  • Yoon, Young-Cheol;Kim, Dong-Jo;Lee, Sang-Ho
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.20 no.3
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    • pp.321-327
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    • 2007
  • This study presents a new gridless finite difference method for solving elastic crack problems. The method constructs the Taylor expansion based on the MLS(Moving Least Squares) method and effectively calculates the approximation and its derivatives without differentiation process. Since no connectivity between nodes is required, the modeling of discontinuity embedded in the domain is very convenient and discontinuity effect due to crack is naturally implemented in the construction of difference equations. Direct discretization of the governing partial differential equations makes solution process faster than other numerical schemes using numerical integration. Numerical results for mode I and II crack problems demonstrates that the proposed method accurately and efficiently evaluates the stress intensity factors.