looCV: Diagnostic cross-validation tool for ordination based on...

In RRPP: Linear Model Evaluation with Randomized Residuals in a Permutation Procedure

Diagnostic cross-validation tool for ordination based on fitted values

Description

Function performs a leave-one-out cross-validation estimate of ordination scores, which is helpful for determining if apparent "group differences" in ordination plots arise merely from data dimensionality.

Usage

looCV(fit, ...)

Arguments

fit	A lm.rrpp fit.
...	Arguments passed to ordinate

Details

The function uses the strategy of Thioulouse et al. (2021) to perform N ordinations for N observations, in which each of the N observations are left out of the estimation of linear model coefficients, but the vector of data for the left-out observation is projected on the eigenvectors of the fitted values obtained from the leave-one-out cross-validation (jackknife) strategy. The purpose of this diagnostic tool is to determine whether apparent "group differences" in an ordination plot (using the function, ordinate) are because of high-dimensional data (number of variables exceed number of observations) rather than real differences. An apparent group difference is common for high-dimensional data, when variables are far greater in number than observations (Cardini et al., 2019). However, leave-one-out cross-validation can help elucidate whether an observed visual difference is spurious.

This function differs from the strategy of Thioulouse et al. (2021) in two important ways. First, this function uses the linear model design from a lm.rrpp fit, and can contain any number of independent variables, rather than a single factor for groups. Second, after obtaining leave-one-out cross-validated scores, a Procrustes alignment between cross-validated scores and "observed" (real) scores is performed, which minimizes summed squared distances between the alternative ordinations. This latter step assures comparisons are appropriate.

The type = "PC" plot from plot.lm.rrpp has the same scores as obtained from ordinate(Y, A = H), using the ordinate function, where H is a hat matrix (that can be calculated from plot.lm.rrpp output), and Y is a matrix of data. This function updates H for every possible case that one row of Y is left out (meaning the rotation matrix from ordinate is updated N times). If the H matrix is robust in spite of dropped data and design matrix parameters, the result will be similar to the original ordination. If apparent group differences are spurious, H will tend to change, as will data projections.

The functions summary.looCV and plot.looCV are essential for evaluating results. These support functions compare eigenvalues and projected scores, between observed and cross-validated cases.

This function should be viewed as a diagnostic tool and not as a data transformation tool! The cross-validated scores will not retain Euclidean distances among observations. This could cause problems in analyses that substitute cross-validated scores as data.

Value

An object of class looCV is a list containing the following

d	List of eigenvalues, for observed and cross-validated cases.
scores	List of principal component scores, for observed and cross-validated cases.

Author(s)

Michael Collyer

References

Thioulouse, J., Renaud, S., Dufour, A. B., & Dray, S. (2021). Overcoming the Spurious Groups Problem in Between-Group PCA. Evolutionary Biology, In press.

Cardini, A., O’Higgins, P., & Rohlf, F. J. (2019). Seeing distinct groups where there are none: spurious patterns from between-group PCA. Evolutionary Biology, 46(4), 303-316.

See Also

summary.looCV, plot.looCV

Examples

# Example with real group differences

data(Pupfish)
fit <- lm.rrpp(coords ~ Pop*Sex, data = Pupfish, iter = 0)
CV1 <- looCV(fit)
summary(CV1)
group <- interaction(Pupfish$Pop, Pupfish$Sex)
plot(CV1, flip = 1, pch = 19, col = group)

# Example with apparent but not real group differences

n <- NROW(Pupfish$coords)
p <- NCOL(Pupfish$coords)
set.seed(1001)
Yr <- matrix(rnorm(n * p), n, p) # random noise

fit2 <-lm.rrpp(Yr ~ Pop*Sex, data = Pupfish, iter = 0)
CV2 <- looCV(fit2)
summary(CV2)
group <- interaction(Pupfish$Pop, Pupfish$Sex)
plot(CV2, pch = 19, col = group) 

RRPP documentation built on June 22, 2024, 6:45 p.m.