K-Means Clustering

Description

Perform k-means clustering on a data matrix.

Usage

kmeans(x, centers, iter.max = 10, nstart = 1,
       algorithm = c("Hartigan-Wong", "Lloyd", "Forgy",
                     "MacQueen"), trace = FALSE)
## S3 method for class 'kmeans'
fitted(object, method = c("centers", "classes"), ...)

Arguments

Details

The data given by x are clustered by the k-means method, which aims to partition the points into k groups such that the sum of squares from points to the assigned cluster centres is minimized. At the minimum, all cluster centres are at the mean of their Voronoi sets (the set of data points which are nearest to the cluster centre).

The algorithm of Hartigan and Wong (1979) is used by default. Note that some authors use k-means to refer to a specific algorithm rather than the general method: most commonly the algorithm given by MacQueen (1967) but sometimes that given by Lloyd (1957) and Forgy (1965). The Hartigan–Wong algorithm generally does a better job than either of those, but trying several random starts (nstart> 1) is often recommended. In rare cases, when some of the points (rows of x) are extremely close, the algorithm may not converge in the “Quick-Transfer” stage, signalling a warning (and returning ifault = 4). Slight rounding of the data may be advisable in that case.

For ease of programmatic exploration, k = 1 is allowed, notably returning the center and withinss.

Except for the Lloyd–Forgy method, k clusters will always be returned if a number is specified. If an initial matrix of centres is supplied, it is possible that no point will be closest to one or more centres, which is currently an error for the Hartigan–Wong method.

Value

kmeans returns an object of class "kmeans" which has a print and a fitted method. It is a list with at least the following components:

Note

The clusters are numbered in the returned object, but they are a set and no ordering is implied. (Their apparent ordering may differ by platform.)

References

Forgy, E. W. (1965). Cluster analysis of multivariate data: efficiency vs interpretability of classifications. Biometrics, 21, 768–769.

Hartigan, J. A. and Wong, M. A. (1979). Algorithm AS 136: A K-means clustering algorithm. Applied Statistics, 28, 100–108. doi:10.2307/2346830.

Lloyd, S. P. (1957, 1982). Least squares quantization in PCM. Technical Note, Bell Laboratories. Published in 1982 in IEEE Transactions on Information Theory, 28, 128–137.

MacQueen, J. (1967). Some methods for classification and analysis of multivariate observations. In Proceedings of the Fifth Berkeley Symposium on Mathematical Statistics and Probability, eds L. M. Le Cam & J. Neyman, 1, pp. 281–297. Berkeley, CA: University of California Press.

Examples

require(graphics)

# a 2-dimensional example
x <- rbind(matrix(rnorm(100, sd = 0.3), ncol = 2),
           matrix(rnorm(100, mean = 1, sd = 0.3), ncol = 2))
colnames(x) <- c("x", "y")
(cl <- kmeans(x, 2))
plot(x, col = cl$cluster)
points(cl$centers, col = 1:2, pch = 8, cex = 2)

# sum of squares
ss <- function(x) sum(scale(x, scale = FALSE)^2)

## cluster centers "fitted" to each obs.:
fitted.x <- fitted(cl);  head(fitted.x)
resid.x <- x - fitted(cl)

## Equalities : ----------------------------------
cbind(cl[c("betweenss", "tot.withinss", "totss")], # the same two columns
         c(ss(fitted.x), ss(resid.x),    ss(x)))
stopifnot(all.equal(cl$ totss,        ss(x)),
	  all.equal(cl$ tot.withinss, ss(resid.x)),
	  ## these three are the same:
	  all.equal(cl$ betweenss,    ss(fitted.x)),
	  all.equal(cl$ betweenss, cl$totss - cl$tot.withinss),
	  ## and hence also
	  all.equal(ss(x), ss(fitted.x) + ss(resid.x))
	  )

kmeans(x,1)$withinss # trivial one-cluster, (its W.SS == ss(x))

## random starts do help here with too many clusters
## (and are often recommended anyway!):
## The ordering of the clusters may be platform-dependent.

(cl <- kmeans(x, 5, nstart = 25))

plot(x, col = cl$cluster)
points(cl$centers, col = 1:5, pch = 8)