Why is hclust showing an inversion here? - r

Here are three points and a hierarchical clustering using hclust in R with the "centroid" method.
points <- data.frame(x = c(0, 1, 0.75),
y = c(0, 0, 1))
centroid <- hclust(dist(points), method = "centroid")
plot(centroid)
The resulting dendrogram correctly merges the first and second points. (The distance is 1.) The centroid of the first two points is at (0.5, 0).
The third point merges at a height of 0.8903882, creating an inversion (or reversal as some call it). In fact, the third point is at a distance of 1.030776 from the centroid, so there should be no inversion.
What am I missing here?

It is mainly because of the method you have used which is centroid. Choose a different method (monotonic methods) such as
Single Linkage
Complete Linkage
Average Linkage
Weighted Average Linkage
WARD's Linkage

Related

Calculating the percentage of overlap between polytopes (n-dimensions)

I have to figure out the percentage of overlap between polytopes in n-dimensional spaces, where my only available source of reference is a set of randomly sampled points within those polytopes.
Assume that the following two R objects are two sets of randomly sampled points from two different polytopes in 5 dimensions:
one <- matrix(runif(5000, min = 0, max = 5), ncol = 5)
two <- matrix(runif(5000, min = 0, max = 4), ncol = 5)
In this example, I selected a smaller range for the second object, so we know that there should be less than 10% overlap. Let me know if I am wrong.
EDIT:
Just to make it really clear, the question is what is the percentage of overlap between those two objects?
I need a method that generalizes to n-dimensional spaces.
This stackoverflow question is somewhat similar to what I am trying to do, but I didn't manage to get it to work.
So, the most straightforward way is to use the hypervolume package.
library(hypervolume)
one <- hypervolume(matrix(runif(5000, min = 0, max = 5), ncol = 5))
two <- hypervolume(matrix(runif(5000, min = 0, max = 4), ncol = 5))
three = hypervolume_set(one, two, check.memory=FALSE)
get_volume(three)
This will get you the volume.
hypervolume_overlap_statistics(three)
This function will output four different metrics, one if which is the Jaccard Similarity Index.
The Jaccard Similarity is the proportion of overlap between the two sample sets (the intersection divided by the union).
Alternatives
Chris suggested volesti as an alternative. Another alternative would be the geometry package.
They do not calculate the proportion straight away. Here you need to find the intersection (e.g. intersectn in geometry, VpolytopeIntersection in volesti), then calculate the volume for the polytopes separately and also their intersection, then you need to divide the volume of the intersection with the sum of the volumes for the two polytopes.
Here, they are also using a different method to calculate the volume and it might be more appropriate for you if you are trying to construct convex hulls in an n-dimensional space. For me, hypervolume is a better solution, because I am doing something more akin to Hutchinson’s n-dimensional hypervolume concept from ecology and evolutionary biology.

Is there a way to specify the number of segments crossings when creating random pattern of line segments?

I have been using the spatstat package to determine if a point pattern is clustered, random or regular by comparing it to relative frequency distribution of nearest-neighbor distances generated under complete spatial randomness (CSR). Code is as follows (Y is a ppp object of x,y coordinates):
Y<-rpoint(60, 2, fmax=NULL, win=unit.square(),giveup=1000, verbose=FALSE,
nsim=1, drop=TRUE)
envelope(Y, Gest, nsim = 999, nrank = 25, global=FALSE, fix.n=TRUE)
However, I just realized that the random points have to be distributed at the intersections of a polygon network within the window; they cannot be compared against complete spatial randomness, since they are restricted to crossings of segments of a polygon network. Is there any way to simulate spatial randomness on a network pattern?
I managed to create random line segments and add points at each crossings:
l<-rpoisline(4, win=owin())
i<-selfcrossing.psp(l)
par(mfrow=c(1,2))
plot(l)
plot(i)
However, I am not sure how to integrate this with the envelope() function.
I also need the number of crossing to be constant. So is there anyway to specify the number of crossings in the rpoisline() function?

how to get point set (x,y) in a desired area in r

The figure is the plot of x,y set in a excel file, total 8760 pair of x and y. I want to remove the noise data pair in red circle area and output a new excel file with remain data pair. How could I do it in R?
Using #G5W's example:
Make up data:
set.seed(2017)
x = runif(8760, 0,16)
y = c(abs(rnorm(8000, 0, 1)), runif(760,0,8))
XY = data.frame(x,y)
Fit a quantile regression to the 90th percentile:
library(quantreg)
library(splines)
qq <- rq(y~ns(x,20),tau=0.9,data=XY)
Compute and draw the predicted curve:
xvec <- seq(0,16,length.out=101)
pp <- predict(qq,newdata=data.frame(x=xvec))
plot(y~x,data=XY)
lines(xvec,pp,col=2,lwd=2)
Keep only points below the predicted line:
XY2 <- subset(XY,y<predict(qq,newdata=data.frame(x)))
plot(y~x,data=XY2)
lines(xvec,pp,col=2,lwd=2)
You can make the line less wiggly by lowering the number of knots, e.g. y~ns(x,10)
Both R and EXCEL read and write .csv files, so you can use those to transfer the data back and forth.
You do not provide any data so I made some junk data to produce a similar problem.
DATA
set.seed(2017)
x = runif(8760, 0,16)
y = c(abs(rnorm(8000, 0, 1)), runif(760,0,8))
XY = data.frame(x,y)
One way to identify noise points is by looking at the distance to the nearest neighbors. In dense areas, nearest neighbors will be closer. In non-dense areas, they will be further apart. The package dbscan provides a nice function to get the distance to the k nearest neighbors. For this problem, I used k=6, but you may need to tune for your data. Looking at the distribution of distances to the 6th nearest neighbor we see that most points have 6 neighbors within a distance of 0.2
XY6 = kNNdist(XY, 6)
plot(density(XY6[,6]))
So I will assume that point whose 6th nearest neighbor is further away are noise points. Just changing the color to see which points are affected, we get
TYPE = rep(1,8760)
TYPE[XY6[,6] > 0.2] = 2
plot(XY, col=TYPE)
Of course, if you wish to restrict to the non-noise points, you can use
NonNoise = XY[XY6[,6] > 0.2,]

visualization for high-dimensional points in R

I have a centroid, e.g., A. and I have other 100 points. All of these points are of high-dimensions, e.g, 1000 dimensions. Is there a way to visualize these points in a two-dimensional space in-terms of their distance with A.
A common (though simple) way to visualize high-dimensional points in low dimensional space is to use some form of multi-dimensional scaling:
dat <- matrix(runif(1000*99),99,1000)
#Combine with "special" point
dat <- rbind(rep(0.1,1000),dat)
out <- cmdscale(dist(dat),k = 2)
#Plot everything, highlighting our "special" point
plot(out)
points(out[1,1],out[1,2],col = "red")
You can also check out isoMDS or sammon in the MASS package for other implementations in R.
The distance (by which I assume you mean the norm of the difference vector) is only 1 value, so you can calculate these norms and show them on a 1D plot, but for 2D you'll need a second parameter.

What techniques exists in R to visualize a "distance matrix"?

I wish to present a distance matrix in an article I am writing, and I am looking for good visualization for it.
So far I came across balloon plots (I used it here, but I don't think it will work in this case), heatmaps (here is a nice example, but they don't allow to present the numbers in the table, correct me if I am wrong. Maybe half the table in colors and half with numbers would be cool) and lastly correlation ellipse plots (here is some code and example - which is cool to use a shape, but I am not sure how to use it here).
There are also various clustering methods but they will aggregate the data (which is not what I want) while what I want is to present all of the data.
Example data:
nba <- read.csv("http://datasets.flowingdata.com/ppg2008.csv")
dist(nba[1:20, -1], )
I am open for ideas.
You could also use force-directed graph drawing algorithms to visualize a distance matrix, e.g.
nba <- read.csv("http://datasets.flowingdata.com/ppg2008.csv")
dist_m <- as.matrix(dist(nba[1:20, -1]))
dist_mi <- 1/dist_m # one over, as qgraph takes similarity matrices as input
library(qgraph)
jpeg('example_forcedraw.jpg', width=1000, height=1000, unit='px')
qgraph(dist_mi, layout='spring', vsize=3)
dev.off()
Tal, this is a quick way to overlap text over an heatmap. Note that this relies on image rather than heatmap as the latter offsets the plot, making it more difficult to put text in the correct position.
To be honest, I think this graph shows too much information, making it a bit difficult to read... you may want to write only specific values.
also, the other quicker option is to save your graph as pdf, import it in Inkscape (or similar software) and manually add the text where needed.
Hope this helps
nba <- read.csv("http://datasets.flowingdata.com/ppg2008.csv")
dst <- dist(nba[1:20, -1],)
dst <- data.matrix(dst)
dim <- ncol(dst)
image(1:dim, 1:dim, dst, axes = FALSE, xlab="", ylab="")
axis(1, 1:dim, nba[1:20,1], cex.axis = 0.5, las=3)
axis(2, 1:dim, nba[1:20,1], cex.axis = 0.5, las=1)
text(expand.grid(1:dim, 1:dim), sprintf("%0.1f", dst), cex=0.6)
A Voronoi Diagram (a plot of a Voronoi Decomposition) is one way to visually represent a Distance Matrix (DM).
They are also simple to create and plot using R--you can do both in a single line of R code.
If you're not famililar with this aspect of computational geometry, the relationship between the two (VD & DM) is straightforward, though a brief summary might be helpful.
Distance Matrices--i.e., a 2D matrix showing the distance between a point and every other point, are an intermediate output during kNN computation (i.e., k-nearest neighbor, a machine learning algorithm which predicts the value of a given data point based on the weighted average value of its 'k' closest neighbors, distance-wise, where 'k' is some integer, usually between 3 and 5.)
kNN is conceptually very simple--each data point in your training set is in essence a 'position' in some n-dimension space, so the next step is to calculate the distance between each point and every other point using some distance metric (e.g., Euclidean, Manhattan, etc.). While the training step--i.e., construcing the distance matrix--is straightforward, using it to predict the value of new data points is practically encumbered by the data retrieval--finding the closest 3 or 4 points from among several thousand or several million scattered in n-dimensional space.
Two data structures are commonly used to address that problem: kd-trees and Voroni decompositions (aka "Dirichlet tesselation").
A Voronoi decomposition (VD) is uniquely determined by a distance matrix--i.e., there's a 1:1 map; so indeed it is a visual representation of the distance matrix, although again, that's not their purpose--their primary purpose is the efficient storage of the data used for kNN-based prediction.
Beyond that, whether it's a good idea to represent a distance matrix this way probably depends most of all on your audience. To most, the relationship between a VD and the antecedent distance matrix will not be intuitive. But that doesn't make it incorrect--if someone without any statistics training wanted to know if two populations had similar probability distributions and you showed them a Q-Q plot, they would probably think you haven't engaged their question. So for those who know what they are looking at, a VD is a compact, complete, and accurate representation of a DM.
So how do you make one?
A Voronoi decomp is constructed by selecting (usually at random) a subset of points from within the training set (this number varies by circumstances, but if we had 1,000,000 points, then 100 is a reasonable number for this subset). These 100 data points are the Voronoi centers ("VC").
The basic idea behind a Voronoi decomp is that rather than having to sift through the 1,000,000 data points to find the nearest neighbors, you only have to look at these 100, then once you find the closest VC, your search for the actual nearest neighbors is restricted to just the points within that Voronoi cell. Next, for each data point in the training set, calculate the VC it is closest to. Finally, for each VC and its associated points, calculate the convex hull--conceptually, just the outer boundary formed by that VC's assigned points that are farthest from the VC. This convex hull around the Voronoi center forms a "Voronoi cell." A complete VD is the result from applying those three steps to each VC in your training set. This will give you a perfect tesselation of the surface (See the diagram below).
To calculate a VD in R, use the tripack package. The key function is 'voronoi.mosaic' to which you just pass in the x and y coordinates separately--the raw data, not the DM--then you can just pass voronoi.mosaic to 'plot'.
library(tripack)
plot(voronoi.mosaic(runif(100), runif(100), duplicate="remove"))
You may want to consider looking at a 2-d projection of your matrix (Multi Dimensional Scaling). Here is a link to how to do it in R.
Otherwise, I think you are on the right track with heatmaps. You can add in your numbers without too much difficulty. For example, building of off Learn R :
library(ggplot2)
library(plyr)
library(arm)
library(reshape2)
nba <- read.csv("http://datasets.flowingdata.com/ppg2008.csv")
nba$Name <- with(nba, reorder(Name, PTS))
nba.m <- melt(nba)
nba.m <- ddply(nba.m, .(variable), transform,
rescale = rescale(value))
(p <- ggplot(nba.m, aes(variable, Name)) + geom_tile(aes(fill = rescale),
colour = "white") + scale_fill_gradient(low = "white",
high = "steelblue")+geom_text(aes(label=round(rescale,1))))
A dendrogram based on a hierarchical cluster analysis can be useful:
http://www.statmethods.net/advstats/cluster.html
A 2-D or 3-D multidimensional scaling analysis in R:
http://www.statmethods.net/advstats/mds.html
If you want to go into 3+ dimensions, you might want to explore ggobi / rggobi:
http://www.ggobi.org/rggobi/
In the book "Numerical Ecology" by Borcard et al. 2011 they used a function called *coldiss.r *
you can find it here: http://ichthyology.usm.edu/courses/multivariate/coldiss.R
it color codes the distances and even orders the records by dissimilarity.
another good package would be the seriation package.
Reference:
Borcard, D., Gillet, F. & Legendre, P. (2011) Numerical Ecology with R. Springer.
A solution using Multidimensional Scaling
data = read.csv("http://datasets.flowingdata.com/ppg2008.csv", sep = ",")
dst = tcrossprod(as.matrix(data[,-1]))
dst = matrix(rep(diag(dst), 50L), ncol = 50L, byrow = TRUE) +
matrix(rep(diag(dst), 50L), ncol = 50L, byrow = FALSE) - 2*dst
library(MASS)
mds = isoMDS(dst)
#remove {type = "n"} to see dots
plot(mds$points, type = "n", pch = 20, cex = 3, col = adjustcolor("black", alpha = 0.3), xlab = "X", ylab = "Y")
text(mds$points, labels = rownames(data), cex = 0.75)

Resources