• 제목/요약/키워드: Partial least squares

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편최소제곱 반응표면함수를 이용한 공정 최적화에 관한 연구 (A Study on Process Optimization Using Partial Least Squares Response Surface Function)

  • 박성현;최엄문;박창순
    • 품질경영학회지
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    • 제27권2호
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    • pp.237-250
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    • 1999
  • Response surface analysis has been a popular tool conducted by engineers in many processes. In this paper, response surface function, named partial least squares response surface function is proposed. Partial least squares response surface function is a function of partial least squares components and the response surface modeling is used in either a first-order or a second-order model. Also, this approach will have the engineers be able to do the response surface modeling and the process optimization even when the number of experimental runs is less than the number of model parameters. This idea is applied to the nondesign data and an application of partial least squares response surface function to the process optimization is considered.

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다변량 통계 분석법을 이용한 2성분계 혼합물의 인화점 예측 (Prediction of Flash Point of Binary Systems by Using Multivariate Statistical Analysis)

  • 이범석;김성영;정창복;최수형
    • 한국가스학회지
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    • 제10권4호
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    • pp.29-33
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    • 2006
  • 화학공정 설계에서 공정의 위험성 판단은 중요한 부분이다. 실제 화학공정에 사용되는 가연성 물질의 화재 및 폭발 위험성을 판단하는 인화점에 대한 예측은 그 방법 중의 하나이다. 본 연구에서는 2성분계 가연성 물질의 인화점에 대한 실험 자료를 이용하여 다변량 통계 분석법(partial least squares(PLS), quadratic partial least squares(QPLS))을 이용하여 2성분계 혼합물의 인화점을 예측하였고, 기존의 Raoult의 법칙과 Van Laar 식에 의한 예측값과 비교해 보았다.

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LEAST-SQUARES SPECTRAL COLLOCATION PARALLEL METHODS FOR PARABOLIC PROBLEMS

  • SEO, JEONG-KWEON;SHIN, BYEONG-CHUN
    • 호남수학학술지
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    • 제37권3호
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    • pp.299-315
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    • 2015
  • In this paper, we study the first-order system least-squares (FOSLS) spectral method for parabolic partial differential equations. There were lots of least-squares approaches to solve elliptic partial differential equations using finite element approximation. Also, some approaches using spectral methods have been studied in recent. In order to solve the parabolic partial differential equations in parallel, we consider a parallel numerical method based on a hybrid method of the frequency-domain method and first-order system least-squares method. First, we transform the parabolic problem in the space-time domain to the elliptic problems in the space-frequency domain. Second, we solve each elliptic problem in parallel for some frequencies using the first-order system least-squares method. And then we take the discrete inverse Fourier transforms in order to obtain the approximate solution in the space-time domain. We will introduce such a hybrid method and then present a numerical experiment.

순차적 부분최소제곱 회귀적합에 의한 시간경로 유전자 발현 자료의 결측치 추정 (Missing Values Estimation for Time Course Gene Expression Data Using the Sequential Partial Least Squares Regression Fitting)

  • 김경숙;오미라;백장선;손영숙
    • 응용통계연구
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    • 제21권2호
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    • pp.275-290
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    • 2008
  • 마이크로어레이 유전자 발현 자료는 대용량이며 또한 관측 과정이 복잡하여 결측치가 빈번하게 발생된다. 본 논문에서는 관측 시점 간에 상관성을 갖는 시간경로 유전자 발현 자료에 대한 결측치 추정을 위하여 순차적 부분최소제곱(sequential partial least squares: SPLS) 회귀적합 방법을 제안한다. 이는 순차적 기법과 부분최소제곱(partial least squares: PLS) 회귀적합 방법을 결합시킨 것이다. 세 가지의 이스트(yeast) 시간경로 자료들에 대한 몇 가지 모의실험을 통하여 제안된 결측치 추정방법의 유용성을 평가한다.

Unified Non-iterative Algorithm for Principal Component Regression, Partial Least Squares and Ordinary Least Squares

  • Kim, Jong-Duk
    • Journal of the Korean Data and Information Science Society
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    • 제14권2호
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    • pp.355-366
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    • 2003
  • A unified procedure for principal component regression (PCR), partial least squares (PLS) and ordinary least squares (OLS) is proposed. The process gives solutions for PCR, PLS and OLS in a unified and non-iterative way. This enables us to see the interrelationships among the three regression coefficient vectors, and it is seen that the so-called E-matrix in the solution expression plays the key role in differentiating the methods. In addition to setting out the procedure, the paper also supplies a robust numerical algorithm for its implementation, which is used to show how the procedure performs on a real world data set.

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A modified partial least squares regression for the analysis of gene expression data with survival information

  • Lee, So-Yoon;Huh, Myung-Hoe;Park, Mira
    • Journal of the Korean Data and Information Science Society
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    • 제25권5호
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    • pp.1151-1160
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    • 2014
  • In DNA microarray studies, the number of genes far exceeds the number of samples and the gene expression measures are highly correlated. Partial least squares regression (PLSR) is one of the popular methods for dimensional reduction and known to be useful for the classifications of microarray data by several studies. In this study, we suggest a modified version of the partial least squares regression to analyze gene expression data with survival information. The method is designed as a new gene selection method using PLSR with an iterative procedure of imputing censored survival time. Mean square error of prediction criterion is used to determine the dimension of the model. To visualize the data, plot for variables superimposed with samples are used. The method is applied to two microarray data sets, both containing survival time. The results show that the proposed method works well for interpreting gene expression microarray data.

Shrinkage Structure of Ridge Partial Least Squares Regression

  • Kim, Jong-Duk
    • Journal of the Korean Data and Information Science Society
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    • 제18권2호
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    • pp.327-344
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    • 2007
  • 다중공선성의 데이터에 사용되는 대표적인 편향회귀방법은 능형회귀(RR), 주성분회귀(PCR), 부분최소제곱회귀(PLS) 등이다. 이 회귀방법들은 계수베거 추정량의 놈(norm)이 모두 보통 최소제곱회귀(OLS)의 추정량의 놈보다 작아진다는 의미에서 축소회귀라 부른다. 새로운 회귀방법으로 RR과 PCR을 결합한 능형주성분회귀(RPCR)가 있고 RR과 PLS를 결합한 능형부분최소제곱회귀(RPLS)가 있으며 이들도 또한 축소회귀이다. 이들 추정량은 X'X의 고유벡터들의 선형결합으로 나타낼 수 있고 따라서 각 고유방향에서 OLS에 비해 얼마나 축소되는지를 연구할 수 있다. 본 논문에서는 먼저 이들 추정량을 일반적인 축소인자의 식으로 나타내고 이를 이용하여 MSE의 일반식을 구하였으며 PLS 추정량의 MSE 식도 구하였다. 그리고 RPLS의 축소인자 식을 두 가지 다른 형태로 유도하였다. RPLS의 경우도 이 축소인자 식을 MSE의 일반식에 대입하면 MSE 식이 바로 얻어진다. 그러나 PLS나 RPLS의 축소인자는 y의 복잡한 비선형이 되어 결정적이 아니므로 이들 추정량의 MSE는 근사적인 식이라 할 수 있다. 따라서 PLS나 RPLS를 평가하기 위해 이 MSE를 사용하는 것은 제한적이며, 경험적인 방법으로 이들 회귀의 수행성을 평가하는 것이 필요하다. 다중공선성의 대표적인 데이터인 근적외선 분광 데이터를 이용하여 이 유도된 회귀의 축소인자 값이 인자수에 따라 어떻게 변화하는지와 전체적인 축소 비율도 살펴보았다. 이들의 축소 형태를 잘 이해하면 회귀방법들의 예측력과 안정성을 파악하는데 많은 도움이 되리라 판단된다.

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Hybrid Linear Analysis Based on the Net Analyte Signal in Spectral Response with Orthogonal Signal Correction

  • Park, Kwang-Su;Jun, Chi-Hyuck
    • Near Infrared Analysis
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    • 제1권2호
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    • pp.1-8
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    • 2000
  • Using the net analyte signal, hybrid linear analysis was proposed to predict chemical concentration. In this paper, we select a sample from training set and apply orthogonal signal correction to obtain an improved pseudo unit spectrum for hybrid least analysis. using the mean spectrum of a calibration training set, we first show the calibration by hybrid least analysis is effective to the prediction of not only chemical concentrations but also physical property variables. Then, a pseudo unit spectrum from a training set is also tested with and without orthogonal signal correction. We use two data sets, one including five chemical concentrations and the other including ten physical property variables, to compare the performance of partial least squares and modified hybrid least analysis calibration methods. The results show that the hybrid least analysis with a selected training spectrum instead of well-measured pure spectrum still gives good performances, which is a little better than partial least squares.

사용편의성 모델수립을 위한 제품 설계 변수의 선별방법 : 유전자 알고리즘 접근방법 (A Method for Screening Product Design Variables for Building A Usability Model : Genetic Algorithm Approach)

  • 양희철;한성호
    • 대한인간공학회지
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    • 제20권1호
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    • pp.45-62
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    • 2001
  • This study suggests a genetic algorithm-based partial least squares (GA-based PLS) method to select the design variables for building a usability model. The GA-based PLS uses a genetic algorithm to minimize the root-mean-squared error of a partial least square regression model. A multiple linear regression method is applied to build a usability model that contains the variables seleded by the GA-based PLS. The performance of the usability model turned out to be generally better than that of the previous usability models using other variable selection methods such as expert rating, principal component analysis, cluster analysis, and partial least squares. Furthermore, the model performance was drastically improved by supplementing the category type variables selected by the GA-based PLS in the usability model. It is recommended that the GA-based PLS be applied to the variable selection for developing a usability model.

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PLS를 활용한 고차요인구조 추정방법의 비교 (A Comparison of Estimation Approaches of Structural Equation Model with Higher-Order Factors Using Partial Least Squares)

  • 손기혁;전영호;옥창수
    • 산업경영시스템학회지
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    • 제36권4호
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    • pp.64-70
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    • 2013
  • Estimation approaches for casual relation model with high-order factors have strict restrictions or limits. In the case of ML (Maximum Likelihood), a strong assumption which data must show a normal distribution is required and factors of exponentiation is impossible due to the uncertainty of factors. To overcome this limitation many PLS (Partial Least Squares) approaches are introduced to estimate the structural equation model including high-order factors. However, it is possible to yield biased estimates if there are some differences in the number of measurement variables connected to each latent variable. In addition, any approach does not exist to deal with general cases not having any measurement variable of high-order factors. This study compare several approaches including the repeated measures approach which are used to estimate the casual relation model including high-order factors by using PLS (Partial Least Squares), and suggest the best estimation approach. In other words, the study proposes the best approach through the research on the existing studies related to the casual relation model including high-order factors by using PLS and approach comparison using a virtual model.