Jolliffe I. Principal Component Analysis (2ed., Springer, 2002)(518s)
Jolliffe I. Principal Component Analysis (2ed., Springer, 2002)(518s) Jolliffe I. Principal Component Analysis (2ed., Springer, 2002)(518s)
12.4. PCA and Non-Independent Data—Some Additional Topics 333Underlying the answer to this question is the fact that Σ e needs tobe estimated, usually from a ‘control run’ of the atmospheric model inwhich no changes are made to the potential causal variables. Because thedimension ml of Σ e is large, it may be nearly singular, and estimation ofΣ −1e , which is required in calculating ŵ, will be unstable. To avoid thisinstability, the estimate of Σ e is replaced by the first few terms in itsspectral decomposition (Property A3 of Section 2.1), that is by using itsfirst few PCs. Allen and Tett (1999) discuss the choice of how many PCsto retain in this context. ‘First few’ is perhaps not quite the right phrase insome of these very large problems; North and Wu (2001) suggest keepingup to 500 out of 3600 in one of their studies.Expressing the optimal fingerprint in terms of the PCs of the estimateof Σ e also has advantages in interpretation, as in principal componentregression (Chapter 8), because of the uncorrelatedness of the PCs (Zwiers,1999, equations (13), (14)).12.4.4 Spatial DataMany of the techniques discussed earlier in the chapter have a spatial dimension.In Section 12.2, different points in space mostly correspond todifferent ‘variables.’ For MSSA, variables correspond to combinations oftime lag and spatial position, and Plaut and Vautard (1994) refer to theoutput of MSSA as ‘space-time EOFs.’ North and Wu (2001) use the sameterm in a different situation where variables also correspond to space-timecombinations, but with time in separated rather than overlapping blocks.The possibility was also raised in Section 12.3 that the continuum of variablesunderlying the curves could be in space rather than time. The exampleof Section 12.3.3 is a special case of this in which space is one-dimensional,while Bouhaddou et al. (1987) and Guttorp and Sampson (1994) discussestimation of continuous (two-dimensional) spatial covariances. ExtendedEOF analysis (see Sections 12.2.1, 14.5) has several variables measuredat each spatial location, but each space × variable combination is treatedas a separate ‘variable’ in this type of analysis. Another example in whichvariables correspond to location is described by Boyles (1996). Here a qualitycontrol regime includes measurements taken on a sample of n partsfrom a production line. The measurements are made at p locations forminga lattice on each manufactured part. We return to this example inSection 13.7.In some situations where several variables are measured at each of nspatial locations, the different spatial locations correspond to different observationsrather than variables, but the observations are typically notindependent. Suppose that a vector x of p variables is measured at each ofn spatial locations. Let the covariance between the elements x j and x k ofx for two observations which are separated in space by a vector h be the(j, k)th element of a matrix Σ h . This expression assumes second order sta-
334 12. PCA for Time Series and Other Non-Independent Datationarity in the sense that the covariances do not depend on the location ofthe two observations, only on the vector joining them. On the other hand,it does not require isotropy—the covariance may depend on the directionof h as well as its length. The intrinsic correlation model (Wackernagel,1995, Chapter 22) assumes that Σ h = ρ h Σ. Because all terms in Σ aremultiplied by the same spatial factor, this factor cancels when correlationsare calculated from the covariances and the correlation between x j and x kdoes not depend on h. Wackernagel (1995, Chapter 22) suggests testingwhether or not this model holds by finding principal components based onsample covariance matrices for the p variables. Cross-covariances betweenthe resulting PCs are then found at different separations h. Fork ≠ l, thekth and lth PCs should be uncorrelated for different values of h under theintrinsic correlation model, because Σ h has the same eigenvectors for all h.An extension of the intrinsic correlation model to a ‘linear model of coregionalization’is noted by Wackernagel (1995, Chapter 24). In this modelthe variables are expressed as a sum of (S + 1) spatially uncorrelatedcomponents, and the covariance matrix now takes the formΣ h =S∑ρ uh Σ u .u=0Wackernagel (1995, Chapter 25) suggests that separate PCAs of the estimatesof the matrices Σ 0 , Σ 1 ,...,Σ S may be informative, but it is notclear how these matrices are estimated, except that they each representdifferent spatial scales.As well as dependence on h, the covariance or correlation between x j andx k may depend on the nature of the measurements made (point measurements,averages over an area where the area might be varied) and on the sizeof the domain. Vargas-Guzmán et al. (1999) discuss each of these aspects,but concentrate on the last. They describe a procedure they name growingscale PCA, in which the nature of the measurements is fixed and averaging(integration) takes place with respect to h, but the size of the domain isallowed to vary continuously. As it does, the PCs and their variances alsoevolve continuously. Vargas-Guzmán et al. illustrate this technique and alsothe linear model of coregionalization with a three-variable example. The basicform of the PCs is similar at all domain sizes and stabilizes as the sizeincreases, but there are visible changes for small domain sizes. The examplealso shows the changes that occur in the PCs for four different areal extentsof the individual measurements. Buell (1975) also discussed the dependenceof PCA on size and shape of spatial domains (see Section 11.4), but hisemphasis was on the shape of the domain and, unlike Vargas-Guzmán etal. (1999), he made no attempt to produce a continuum of PCs dependenton size.Kaplan et al. (2001) consider optimal interpolation and smoothing ofspatial field data that evolve in time. There is a basic first-order autore-
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12.4. PCA and Non-Independent Data—Some Additional Topics 333Underlying the answer to this question is the fact that Σ e needs tobe estimated, usually from a ‘control run’ of the atmospheric model inwhich no changes are made to the potential causal variables. Because thedimension ml of Σ e is large, it may be nearly singular, and estimation ofΣ −1e , which is required in calculating ŵ, will be unstable. To avoid thisinstability, the estimate of Σ e is replaced by the first few terms in itsspectral decomposition (Property A3 of Section 2.1), that is by using itsfirst few PCs. Allen and Tett (1999) discuss the choice of how many PCsto retain in this context. ‘First few’ is perhaps not quite the right phrase insome of these very large problems; North and Wu (2001) suggest keepingup to 500 out of 3600 in one of their studies.Expressing the optimal fingerprint in terms of the PCs of the estimateof Σ e also has advantages in interpretation, as in principal componentregression (Chapter 8), because of the uncorrelatedness of the PCs (Zwiers,1999, equations (13), (14)).12.4.4 Spatial DataMany of the techniques discussed earlier in the chapter have a spatial dimension.In Section 12.2, different points in space mostly correspond todifferent ‘variables.’ For MSSA, variables correspond to combinations oftime lag and spatial position, and Plaut and Vautard (1994) refer to theoutput of MSSA as ‘space-time EOFs.’ North and Wu (2001) use the sameterm in a different situation where variables also correspond to space-timecombinations, but with time in separated rather than overlapping blocks.The possibility was also raised in Section 12.3 that the continuum of variablesunderlying the curves could be in space rather than time. The exampleof Section 12.3.3 is a special case of this in which space is one-dimensional,while Bouhaddou et al. (1987) and Guttorp and Sampson (1994) discussestimation of continuous (two-dimensional) spatial covariances. ExtendedEOF analysis (see Sections 12.2.1, 14.5) has several variables measuredat each spatial location, but each space × variable combination is treatedas a separate ‘variable’ in this type of analysis. Another example in whichvariables correspond to location is described by Boyles (1996). Here a qualitycontrol regime includes measurements taken on a sample of n partsfrom a production line. The measurements are made at p locations forminga lattice on each manufactured part. We return to this example inSection 13.7.In some situations where several variables are measured at each of nspatial locations, the different spatial locations correspond to different observationsrather than variables, but the observations are typically notindependent. Suppose that a vector x of p variables is measured at each ofn spatial locations. Let the covariance between the elements x j and x k ofx for two observations which are separated in space by a vector h be the(j, k)th element of a matrix Σ h . This expression assumes second order sta-