• 제목/요약/키워드: Partial least-squares regression

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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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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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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.

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.

Combining Ridge Regression and Latent Variable Regression

  • Kim, Jong-Duk
    • Journal of the Korean Data and Information Science Society
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    • 제18권1호
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    • pp.51-61
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    • 2007
  • Ridge regression (RR), principal component regression (PCR) and partial least squares regression (PLS) are among popular regression methods for collinear data. While RR adds a small quantity called ridge constant to the diagonal of X'X to stabilize the matrix inversion and regression coefficients, PCR and PLS use latent variables derived from original variables to circumvent the collinearity problem. One problem of PCR and PLS is that they are very sensitive to overfitting. A new regression method is presented by combining RR and PCR and PLS, respectively, in a unified manner. It is intended to provide better predictive ability and improved stability for regression models. A real-world data from NIR spectroscopy is used to investigate the performance of the newly developed regression method.

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유전알고리즘과 커널 부분최소제곱회귀를 이용한 반도체 공정의 가상계측 모델 개발 (Development of Virtual Metrology Models in Semiconductor Manufacturing Using Genetic Algorithm and Kernel Partial Least Squares Regression)

  • 김보건;염봉진
    • 산업공학
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    • 제23권3호
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    • pp.229-238
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    • 2010
  • Virtual metrology (VM), a critical component of semiconductor manufacturing, is an efficient way of assessing the quality of wafers not actually measured. This is done based on a model between equipment sensor data (obtained for all wafers) and the quality characteristics of wafers actually measured. This paper considers principal component regression (PCR), partial least squares regression (PLSR), kernel PCR (KPCR), and kernel PLSR (KPLSR) as VM models. For each regression model, two cases are considered. One utilizes all explanatory variables in developing a model, and the other selects significant variables using the genetic algorithm (GA). The prediction performances of 8 regression models are compared for the short- and long-term etch process data. It is found among others that the GA-KPLSR model performs best for both types of data. Especially, its prediction ability is within the requirement for the short-term data implying that it can be used to implement VM for real etch processes.

A Study on the Several Robust Regression Estimators

  • Kim, Jee-Yun;Roh, Kyung-Mi;Hwang, Jin-Soo
    • Journal of the Korean Data and Information Science Society
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    • 제15권2호
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    • pp.307-316
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    • 2004
  • Principal Component Regression(PCR) and Partial Least Squares Regression(PLSR) are the two most popular regression techniques in chemometrics. In the field of chemometrics usually the number of regressor variables greatly exceeds the number of observation. So we have to reduce the number of regressors to avoid the identifiability problem. In this paper we compare PCR and PLSR techniques combined with various robust regression methods including regression depth estimation. We compare the efficiency, goodness-of-fit and robustness of each estimators under several contamination schemes.

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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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Expressions for Shrinkage Factors of PLS Estimator

  • Kim, Jong-Duk
    • Journal of the Korean Data and Information Science Society
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    • 제17권4호
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    • pp.1169-1180
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    • 2006
  • Partial least squares regression (PLS) is a biased, non-least squares regression method and is an alternative to the ordinary least squares regression (OLS) when predictors are highly collinear or predictors outnumber observations. One way to understand the properties of biased regression methods is to know how the estimators shrink the OLS estimator. In this paper, we introduce an expression for the shrinkage factor of PLS and develop a new shrinkage expression, and then prove the equivalence of the two representations. We use two near-infrared (NIR) data sets to show general behavior of the shrinkage and in particular for what eigendirections PLS expands the OLS coefficients.

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벌점 부분최소자승법을 이용한 분류방법 (A new classification method using penalized partial least squares)

  • 김윤대;전치혁;이혜선
    • Journal of the Korean Data and Information Science Society
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    • 제22권5호
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    • pp.931-940
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    • 2011
  • 분류분석은 학습표본으로부터 분류규칙을 도출한 후 새로운 표본에 적용하여 특정 범주로 분류하는 방법이다. 데이터의 복잡성에 따라 다양한 분류분석 방법이 개발되어 왔지만, 데이터 차원이 높고 변수간 상관성이 높은 경우 정확하게 분류하는 것은 쉽지 않다. 본 연구에서는 데이터차원이 상대적으로 높고 변수간 상관성이 높을 때 강건한 분류방법을 제안하고자 한다. 부분최소자승법은 연속형데이터에 사용되는 기법으로서 고차원이면서 독립변수간 상관성이 높을 때 예측력이 높은 통계기법으로 알려져 있는 다변량 분석기법이다. 벌점 부분최소자승법을 이용한 분류방법을 실제데이터와 시뮬레이션을 적용하여 성능을 비교하고자 한다.