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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 509-520 
    ISSN: 0886-9383
    Keywords: canonical variates ; discriminant analysis ; partial least squares ; principal components ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new set of derived variables is proposed for exhibiting group separation in multivariate data on for preprocessing such data prior to discriminant analysis. The technique combines optimal features of canonical variate analysis and principal component analysis: the derived variables are linear combinations of the original variables that optimize the canonical variate criterion (ratio of between-group to within-group variance) but subject to the orthogonality constraints of principal components. In this formulation the canonical variates can be derived even when the within-group matrix is singular (i.e. when there are more variables than objects in the data matrix). A simple computational algorithm for extraction of these variables is proposed. The methods are illustrated on several data sets and compared with alternative techniques such as principal component analysis and partial least squares.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Statistics and computing 10 (2000), S. 209-229 
    ISSN: 1573-1375
    Keywords: cross-validation ; ridge regression ; partial least squares ; prediction ; assessment of predictive models
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mathematics
    Notes: Abstract We describe a Monte Carlo investigation of a number of variants of cross-validation for the assessment of performance of predictive models, including different values of k in leave-k-out cross-validation, and implementation either in a one-deep or a two-deep fashion. We assume an underlying linear model that is being fitted using either ridge regression or partial least squares, and vary a number of design factors such as sample size n relative to number of variables p, and error variance. The investigation encompasses both the non-singular (i.e. n 〉 p) and the singular (i.e. n ≤ p) cases. The latter is now common in areas such as chemometrics but has as yet received little rigorous investigation. Results of the experiments enable us to reach some definite conclusions and to make some practical recommendations.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Statistics and computing 6 (1996), S. 85-92 
    ISSN: 1573-1375
    Keywords: Cluster analysis ; Conditional Gaussian distribution ; EM algorithm ; graphical modelling ; location model ; mixture maximum likelihood ; simulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mathematics
    Notes: Abstract One possible approach to cluster analysis is the mixture maximum likelihood method, in which the data to be clustered are assumed to come from a finite mixture of populations. The method has been well developed, and much used, for the case of multivariate normal populations. Practical applications, however, often involve mixtures of categorical and continuous variables. Everitt (1988) and Everitt and Merette (1990) recently extended the normal model to deal with such data by incorporating the use of thresholds for the categorical variables. The computations involved in this model are so extensive, however, that it is only feasible for data containing very few categorical variables. In the present paper we consider an alternative model, known as the homogeneous Conditional Gaussian model in graphical modelling and as the location model in discriminant analysis. We extend this model to the finite mixture situation, obtain maximum likelihood estimates for the population parameters, and show that computation is feasible for an arbitrary number of variables. Some data sets are clustered by this method, and a small simulation study demonstrates characteristics of its performance.
    Type of Medium: Electronic Resource
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