just released new versions of plyr and ggplot2. source versions available on cran, compiled will follow soon #rstats

Going to the CRAN website shows that plyr has gone through the most major update, with the last update (before the current one) taking place on 2009-06-23. And now, over a year later, we are presented with plyr version 1, which includes New functions, New features some Bug fixes and a much anticipated Speed improvements.
ggplot2, has made a tiny leap from version 0.8.7 to 0.8.8, and was previously last updated on 2010-03-03.

Me, and I am sure many R users are very thankful for the amazing work that Hadley Wickham is doing (both on his code, and with helping other useRs on the help lists). So Hadley, thank you!

Here is the complete change-log list for both packages:

plyr 1.0 (2010-07-02) —————————————————

(taken from the CRAN website)
New functions:

* arrange, a new helper method for reordering a data frame.
* count, a version of table that returns data frames immediately and that is
much much faster for high-dimensional data.
* desc makes it easy to sort any vector in descending order
* join, works like merge but can be much faster and has a somewhat simpler
syntax drawing from SQL terminology
* rbind.fill.matrix is like rbind.fill but works for matrices, code
contributed by C. Beleites

Speed improvements

* experimental immutable data frame (idata.frame) that vastly speeds up
subsetting – for large datasets with large numbers of groups, this can yield
10-fold speed ups. See examples in ?idata.frame to see how to use it.
* rbind.fill rewritten again to increase speed and work with more data types
* d*ply now much faster with nested groups

New features:

* d*ply now accepts NULL for splitting variables, indicating that the data
should not be split
* plyr no longer exports internal functions, many of which were causing
clashes with other packages
* rbind.fill now works with data frame columns that are lists or matrices
* test suite ensures that plyr behaviour is correct and will remain correct
as I make future improvements.

Bug fixes:

* **ply: if zero splits, empty list(), data.frame() or logical() returned,
as appropriate for the output type
* **ply: leaving .fun as NULL now always returns list
(thanks to Stavros Macrakis for the bug report)
* a*ply: labels now respect options(stringAsFactors)
* each: scoping bug fixed, thanks to Yasuhisa Yoshida for the bug report
* list_to_dataframe is more consistent when processing a single data frame
* NAs preserved in more places
* progress bars: guaranteed to terminate even if **ply prematurely terminates
* progress bars: misspelling gives informative warning, instead of
uninformative error
* splitter_d: fixed ordering bug when .drop = FALSE

ggplot2 0.8.8 (2010-07-02) —————————————-

(taken from the CRAN website)

Bug fixes:

* coord_equal finally works as expected (thanks to continued prompting from Jean-Olivier Irisson)
* coord_equal renamed to coord_fixed to better represent capabilities
* coord_polar and coord_polar: new munching system that uses distances (as defined by the coordinate system) to figure out how many pieces each segment should be broken in to (thanks to prompting from Jean-Olivier Irisson)
* fix ordering bug in facet_wrap (thanks to bug report by Frank Davenport)
* geom_errorh correctly responds to height parameter outside of aes
* geom_hline and geom_vline will not impact legend when used for fixed intercepts
* geom_hline/geom_vline: intercept values not set quite correctly which caused a problem in conjunction with transformed scales (reported by Seth Finnegan)
* geom_line: can now stack lines again with position = “stack” (fixes #74)
* geom_segment: arrows now preserved in non-Cartesian coordinate system (fixes #117)
* geom_smooth now deals with missing values in the same way as geom_line (thanks to patch from Karsten Loesing)
* guides: check all axis labels for expressions (reported by Benji Oswald)
* guides: extra 0.5 line margin around legend (fixes #71)
* guides: non-left legend positions now work once more (thanks to patch from Karsten Loesing)
* label_bquote works with more expressions (factors now cast to characters, thanks to Baptiste Auguie for bug report)
* scale_color: add missing US spellings
* stat: panels with no non-missing values trigged errors with some statistics. (reported by Giovanni Dall’Olio)
* stat: statistics now also respect layer parameter inherit.aes (thanks to bug report by Lorenzo Isella and investigation by Brian Diggs)
* stat_bin no longer drops 0-count bins by default
* stat_bin: fix small bug when dealing with single bin with NA position (reported by John Rauser)
* stat_binhex: uses range of data from scales when computing binwidth so hexes are the same size in all facets (thanks to Nicholas Lewin-Koh for the bug report)
* stat_qq has new dparam parameter for specifying distribution parameters (thanks to Yunfeng Zhang for the bug report)
* stat_smooth now uses built-in confidence interval (with small sample correction) for linear models (thanks to suggestion by Ian Fellows)
* sta

In 2002, Matthias Schonlau published in “The Stata Journal” an article named “The Clustergram: A graph for visualizing hierarchical and . As explained in the abstract:

In hierarchical cluster analysis dendrogram graphs are used to visualize how clusters are formed. I propose an alternative graph named “clustergram” to examine how cluster members are assigned to clusters as the number of clusters increases.
This graph is useful in exploratory analysis for non-hierarchical clustering algorithms like k-means and for hierarchical cluster algorithms when the number of observations is large enough to make dendrograms impractical.

A similar article was later written and was (maybe) published in “computational statistics”.

Both articles gives some nice background to known methods like k-means and methods for hierarchical clustering, and then goes on to present examples of using these methods (with the Clustergarm) to analyse some datasets.

Personally, I understand the clustergram to be a type of parallel coordinates plot where each observation is given a vector. The vector contains the observation’s location according to how many clusters the dataset was split into. The scale of the vector is the scale of the first principal component of the data.

Clustergram in R (a basic function)

After finding out about this method of visualization, I was hunted by the curiosity to play with it a bit. Therefore, and since I didn’t find any implementation of the graph in R, I went about writing the code to implement it.

The code only works for kmeans, but it shows how such a plot can be produced, and could be later modified so to offer methods that will connect with different clustering algorithms.

The function I present here gets a data.frame/matrix with a row for each observation, and the variable dimensions present in the columns.
The function assumes the data is scaled.
The function then goes about calculating the cluster centers for our data, for varying number of clusters.
For each cluster iteration, the cluster centers are multiplied by the first loading of the principal components of the original data. Thus offering a weighted mean of the each cluster center dimensions that might give a decent representation of that cluster (this method has the known limitations of using the first component of a PCA for dimensionality reduction, but I won’t go into that in this post).
Finally all of our data points are ordered according to their respective cluster first component, and plotted against the number of clusters (thus creating the clustergram).

My thank goes to Hadley Wickham for offering some good tips on how to prepare the graph.

Here is the code (example follows)

 
 
clustergram.kmeans <- function(Data, k, ...)
{
	# this is the type of function that the clustergram
	# 	function takes for the clustering.
	# 	using similar structure will allow implementation of different clustering algorithms
 
	#	It returns a list with two elements:
	#	cluster = a vector of length of n (the number of subjects/items)
	#				indicating to which cluster each item belongs.
	#	centers = a k dimensional vector.  Each element is 1 number that represent that cluster
	#				In our case, we are using the weighted mean of the cluster dimensions by 
	#				Using the first component (loading) of the PCA of the Data.
 
	cl <- kmeans(Data, k,...)
 
	cluster <- cl$cluster
	centers <- cl$centers %*% princomp(Data)$loadings[,1]	# 1 number per center
												# here we are using the weighted mean for each
 
	return(list(
				cluster = cluster,
				centers = centers
			))
}		
 
clustergram.plot.matlines <- function(X,Y, k.range, 
											x.range, y.range , COL, 
											add.center.points , centers.points)
	{
		plot(0,0, col = "white", xlim = x.range, ylim = y.range,
			axes = F,
			xlab = "Number of clusters (k)", ylab = "PCA weighted Mean of the clusters", main = "Clustergram of the PCA-weighted Mean of the clusters k-mean clusters vs number of clusters (k)")
		axis(side =1, at = k.range)
		axis(side =2)
		abline(v = k.range, col = "grey")
 
		matlines(t(X), t(Y), pch = 19, col = COL, lty = 1, lwd = 1.5)
 
		if(add.center.points)
		{
			require(plyr)
 
			xx <- ldply(centers.points, rbind)
			points(xx$y~xx$x, pch = 19, col = "red", cex = 1.3)
 
			# add points	
			# temp <- l_ply(centers.points, function(xx) {
									# with(xx,points(y~x, pch = 19, col = "red", cex = 1.3))
									# points(xx$y~xx$x, pch = 19, col = "red", cex = 1.3)
									# return(1)
									# })
						# We assign the lapply to a variable (temp) only to suppress the lapply "NULL" output
		}	
	}
 
 
 
clustergram <- function(Data, k.range = 2:10 , 
							clustering.function = clustergram.kmeans,
							clustergram.plot = clustergram.plot.matlines, 
							line.width = .004, add.center.points = T)
{
	# Data - should be a scales matrix.  Where each column belongs to a different dimension of the observations
	# k.range - is a vector with the number of clusters to plot the clustergram for
	# clustering.function - this is not really used, but offers a bases to later extend the function to other algorithms 
	#			Although that would  more work on the code
	# line.width - is the amount to lift each line in the plot so they won't superimpose eachother
	# add.center.points - just assures that we want to plot points of the cluster means
 
	n <- dim(Data)[1]
 
	PCA.1 <- Data %*% princomp(Data)$loadings[,1]	# first principal component of our data
 
	if(require(colorspace)) {
			COL <- heat_hcl(n)[order(PCA.1)]	# line colors
		} else {
			COL <- rainbow(n)[order(PCA.1)]	# line colors
			warning('Please consider installing the package "colorspace" for prittier colors')
		}
 
	line.width <- rep(line.width, n)
 
	Y <- NULL	# Y matrix
	X <- NULL	# X matrix
 
	centers.points <- list()
 
	for(k in k.range)
	{
		k.clusters <- clustering.function(Data, k)
 
		clusters.vec <- k.clusters$cluster
			# the.centers <- apply(cl$centers,1, mean)
		the.centers <- k.clusters$centers 
 
		noise <- unlist(tapply(line.width, clusters.vec, cumsum))[order(seq_along(clusters.vec)[order(clusters.vec)])]	
		# noise <- noise - mean(range(noise))
		y <- the.centers[clusters.vec] + noise
		Y <- cbind(Y, y)
		x <- rep(k, length(y))
		X <- cbind(X, x)
 
		centers.points[[k]] <- data.frame(y = the.centers , x = rep(k , k))	
	#	points(the.centers ~ rep(k , k), pch = 19, col = "red", cex = 1.5)
	}
 
 
	x.range <- range(k.range)
	y.range <- range(PCA.1)
 
	clustergram.plot(X,Y, k.range, 
											x.range, y.range , COL, 
											add.center.points , centers.points)
 
 
}

Example on the iris dataset

The iris data set is a favorite example of many R bloggers when writing about R accessors , Data Exporting, Data importing, and for different visualization techniques.
So it seemed only natural to experiment on it here.

data(iris)
set.seed(250)
par(cex.lab = 1.5, cex.main = 1.2)
Data <- scale(iris[,-5]) # notice I am scaling the vectors)
clustergram(Data, k.range = 2:8, line.width = 0.004) # notice how I am using line.width.  Play with it on your problem, according to the scale of Y.

Here is the output:

Looking at the image we can notice a few interesting things. We notice that one of the clusters formed (the lower one) stays as is no matter how many clusters we are allowing (except for one observation that goes way and then beck).
We can also see that the second split is a solid one (in the sense that it splits the first cluster into two clusters which are not “close” to each other, and that about half the observations goes to each of the new clusters).
And then notice how moving to 5 clusters makes almost no difference.
Lastly, notice how when going for 8 clusters, we are practically left with 4 clusters (remember – this is according the mean of cluster centers by the loading of the first component of the PCA on the data)

If I where to take something from this graph, I would say I have a strong tendency to use 3-4 clusters on this data.

But wait, did our clustering algorithm do a stable job?
Let’s try running the algorithm 6 more times (each run will have a different starting point for the clusters)

set.seed(500)
Data <- scale(iris[,-5]) # notice I am scaling the vectors)
par(cex.lab = 1.2, cex.main = .7)
par(mfrow = c(3,2))
for(i in 1:6) clustergram(Data, k.range = 2:8 , line.width = .004, add.center.points = T)

Resulting with: (press the image to enlarge it)

Repeating the analysis offers even more insights.
First, it would appear that until 3 clusters, the algorithm gives rather stable results.
From 4 onwards we get various outcomes at each iteration.
At some of the cases, we got 3 clusters when we asked for 4 or even 5 clusters.

Reviewing the new plots, I would prefer to go with the 3 clusters option. Noting how the two “upper” clusters might have similar properties while the lower cluster is quite distinct from the other two.

By the way, the Iris data set is composed of three types of flowers. I imagine the kmeans had done a decent job in distinguishing the three.

Limitation of the method (and a possible way to overcome it?!)

It is worth noting that the current way the algorithm is built has a fundamental limitation: The plot is good for detecting a situation where there are several clusters but each of them is clearly “bigger” then the one before it (on the first principal component of the data).

For example, let’s create a dataset with 3 clusters, each one is taken from a normal distribution with a higher mean:

set.seed(250)
Data <- rbind(
				cbind(rnorm(100,0, sd = 0.3),rnorm(100,0, sd = 0.3),rnorm(100,0, sd = 0.3)),
				cbind(rnorm(100,1, sd = 0.3),rnorm(100,1, sd = 0.3),rnorm(100,1, sd = 0.3)),
				cbind(rnorm(100,2, sd = 0.3),rnorm(100,2, sd = 0.3),rnorm(100,2, sd = 0.3))
				)				
clustergram(Data, k.range = 2:5 , line.width = .004, add.center.points = T)

The resulting plot for this is the following:

The image shows a clear distinction between three ranks of clusters. There is no doubt (for me) from looking at this image, that three clusters would be the correct number of clusters.

But what if the clusters where different but didn’t have an ordering to them?
For example, look at the following 4 dimensional data:

set.seed(250)
Data <- rbind(
				cbind(rnorm(100,1, sd = 0.3),rnorm(100,0, sd = 0.3),rnorm(100,0, sd = 0.3),rnorm(100,0, sd = 0.3)),
				cbind(rnorm(100,0, sd = 0.3),rnorm(100,1, sd = 0.3),rnorm(100,0, sd = 0.3),rnorm(100,0, sd = 0.3)),
				cbind(rnorm(100,0, sd = 0.3),rnorm(100,1, sd = 0.3),rnorm(100,1, sd = 0.3),rnorm(100,0, sd = 0.3)),
				cbind(rnorm(100,0, sd = 0.3),rnorm(100,0, sd = 0.3),rnorm(100,0, sd = 0.3),rnorm(100,1, sd = 0.3))
				)				
clustergram(Data, k.range = 2:8 , line.width = .004, add.center.points = T)

In this situation, it is not clear from the location of the clusters on the Y axis that we are dealing with 4 clusters.
But what is interesting, is that through the growing number of clusters, we can notice that there are 4 “strands” of data points moving more or less together (until we reached 4 clusters, at which point the clusters started breaking up).
Another hope for handling this might be using the color of the lines in some way, but I haven’t yet figured out how.

Clustergram with ggplot2

Hadley Wickham has kindly played with recreating the clustergram using the ggplot2 engine. You can see the result here:
http://gist.github.com/439761
And this is what he wrote about it in the comments:

I’ve broken it down into three components:
* run the clustering algorithm and get predictions (many_kmeans and all_hclust)
* produce the data for the clustergram (clustergram)
* plot it (plot.clustergram)
I don’t think I have the logic behind the y-position adjustment quite right though.

Here is an example of how it looks:

Conclusions (some rules of thumb and questions for the future)

In a first look, it would appear that the clustergram can be of use. I can imagine using this graph to quickly run various clustering algorithms and then compare them to each other and review their stability (In the way I just demonstrated in the example above).

The three rules of thumb I have noticed by now are:

1. Look at the location of the cluster points on the Y axis. See when they remain stable, when they start flying around, and what happens to them in higher number of clusters (do they re-group together)
2. Observe the strands of the datapoints. Even if the clusters centers are not ordered, the lines for each item might (needs more research and thinking) tend to move together – hinting at the real number of clusters
3. Run the plot multiple times to observe the stability of the cluster formation (and location)

Yet there is more work to be done and questions to seek answers to:

• The code needs to be extended to offer methods to various clustering algorithms.
• How can the colors of the lines be used better?
• How can this be done using other graphical engines (ggplot2/lattice?) – (Update: look at Hadley’s reply in the comments)
• What to do in case the first principal component doesn’t capture enough of the data? (maybe plot this graph to all the relevant components. but then – how do you make conclusions of it?)
• What other uses/conclusions can be made based on this graph?

I am looking forward to reading your input/ideas in the comments (or in reply posts).

For your convenience (and with Ian’s permission), I am reposting his proposal here. You are welcome to send him feedback by e-mailing him (at: ifellows@gmail.com), or by leaving a comment here (and I will direct him to your comment).

Download (PDF, 2.9MB)

Earlier today Google finalised student / mentor pairings and allocations for
the Google Summer of Code 2010 (GSoC 2010). The R Project is happy to
announce that the following students have been accepted:

Colin Rundel, “rgeos – an R wrapper for GEOS”, mentored by Roger Bivand of
the Norges Handelshoyskole, Norway

Ian Fellows, “A GUI for Graphics using ggplot2 and Deducer”, mentored by
Hadley Wickham of Rice University, USA

Chidambaram Annamalai, “rdx – Automatic Differentiation in R”, mentored by
John Nash of University of Ottawa, Canada

Yasuhisa Yoshida, “NoSQL interface for R”, mentored by Dirk Eddelbuettel,
Chicago, USA

Felix Schoenbrodt, “Social Relations Analyses in R”, mentored by Stefan
Schmukle, Universitaet Muenster, Germany

Details about all proposals are on the R Wiki page for the GSoC 2010 at
http://rwiki.sciviews.org/doku.php?id=developers:projects:gsoc2010

The R Project is honoured to have received its highest number of student
allocations yet, and looks forward to an exciting Summer of Code. Please
join me in welcoming our new students.

At this time, I would also like to thank all the other students who have
applied for working with R in this Summer of Code. With a limited number of
available slots, not all proposals can be accepted — but I hope that those
not lucky enough to have been granted a slot will continue to work with R and
towards making contributions within the R world.

I would also like to express my thanks to all other mentors who provided for
a record number of proposals. Without mentors and their project ideas we
would not have a Summer of Code — so hopefully we will see you again next
year.

Regards,

Dirk (acting as R/GSoC 2010 admin)

* * *

From all the projects, the one I am most excited about is:
Ian Fellows, “A GUI for Graphics using ggplot2 and Deducer”, mentored by Hadley Wickham of Rice University, USA

Deducer (text from the website) attempts to be a free easy to use alternative to proprietary data analysis software such as SPSS, JMP, and Minitab. It has a menu system to do common data manipulation and analysis tasks, and an excel-like spreadsheet in which to view and edit data frames. The goal of the project is to two-fold.

• Provide an intuitive interface so that non-technical users can learn and perform analyses without programming getting in their way.
• Increase the efficiency of expert R users when performing common tasks by replacing hundreds of keystrokes with a few mouse clicks. Also, as much as possible the GUI should not get in their way if they just want to do some programming.

Deducer is designed to be used with the Java based R console JGR, though it supports a number of other R environments (e.g. Windows RGUI and RTerm).

This combination (of Deducer and ggplot2) might finally provide the bridge to the layman-statistician that some people recently wrote to be one of R’s weak spots (while other bloogers wrote back that this is o.k., still no one refuted that R doesn’t compete with the point-and-click of softwares like SPSS or JMP.)
I came across Ian in the discussion forums, where he provided very kind help to his package “deducer”. Coupled with having Hadley as his mentor, I am very optimistic about the prospects of seeing this project reaching very high standards.
Very exciting development indeed!

Update: Ian’s proposal is available to view here.

p.s: for some intuition about how a GUI for ggplot2 can look like, have a look at this video of Jeroen Ooms’s ggplot2 web interface

Jeroen Ooms released a new version of his (amazing) online ggplot2 web interface:

yeroon.net/ggplot2 is a web interface for Hadley Wickham’s R package ggplot2. It is used as a tool for rapid prototyping, exploratory graphical analysis and education of statistics and R. The interface is written completely in javascript, therefore there is no need to install anything on the client side: a standard browser will do.

The new version has a lot of cool new features, like advanced data import, integration with Google docs, converting variables from numeric to factor to dates and vice versa, and a lot of new geom’s. Some of which you can watch in his new video demo of the application:

The application is on:
http://www.yeroon.net/ggplot2/

p.s: other posts about this (including videos explaining how some of this was done) can be views on the category page: R and the web

You can also view the slides for his talk and view (great) examples for: stockplot, lme4, and gpplot2.

Thanks again to Jeroen for sharing his knowledge and experience!

Today Jeroen announced a new version (0.11) of his web interface to ggplot2. See it here:
http://www.yeroon.net/ggplot2/

As Jeroen wrote:

New features include 1D geom’s (histogram, density, freqpoly), syntax mode (by clicking the tiny arrow at the bottom), and some additional facet options. And some minor improvements and fixes, most notably for Internet Explorer.
The data upload has not been improved yet, I am working on that. For now, it supports .csv, .sav (spss), and tab delimited data. Please make sure your filename has the appropriate extension and every column has a header in your data. If you export a dataframe from R, use:
write.csv(mydf, ”mydf.csv” , row.names=F). If you upload an spss
datafile, none of this should be a concern.
Supported browsers are IE6-8, FF, Safari, and Chrome, but a recent browser is highly recommended. As always, feedback is more than welcome.

Here is a little demo video that shows how to use the new features:

The datafile from the demo is available at http://www.yeroon.net/ggplot2/myMovies.csv.

I wish the best to Jeroen, and hope to see many more such uses in the future.