Simplifying 3D points. R - r

I need to work with 3D data (spatial) very long tables with for coumns:
x, y, z, Value
There are too many data to be plotted with scatterplot3d or similar (rgl, lattice...)
I would like to reduce the number of data.
One idea could be to sample.
But I'd like to know how to reduce the data, getting new points that summarize the nearby points.
Is there any package to do it and work with this kind of data?
Something like creating a predefined 3D grid and averaging the points in each grid.
But I don't know whether it's better to choose the new points equidistants or just get their coordinates averaging the old ones locally. Or even weighting their final contribution with the distance to the new point.
Other issues:
The "optimal" grid could be tilted, but I don't know it beforehand.
I don't know if the grid should be extended a little bit beyond the data nor how much.
PD: I don't want to create surfaces nor wireframes nor adjust anything.
PD: I've checked spatial packages but as far as I see they are useful for data on a surface, such as the earth, but without height.

To reduce the size of the data set, have you thought about using a clustering methods such as kmeans or hierarchical clustering (hclust). These methods could reduce your data set down to a reasonable size. Be aware, if your data set is large enough these methods could still be too computational time consuming.

Seems like you might benefiit from fitting some sort of model to your data and then displaying the prediction on a resolution of your choice.
Here is an example of fitting with a GAM model:
library(sinkr) # https://github.com/marchtaylor/sinkr
library(mgcv)
library(rgl)
# make data ---------------------------------------------------------------
n <- 1000
x <- runif(n, min=-10, max=10)
y <- runif(n, min=-10, max=10)
z <- runif(n, min=-10, max=10)
value <- (-0.01*x^3 + -0.2*y^2 + -0.3*z^2) * rlnorm(n, 0, 0.1)
# fit model (GAM) ---------------------------------------------------------
fit <- gam(value ~ s(x) + s(y) + s(z))
plot.gam(fit, pages = 1)
This visualization is already helpful in understanding the 3d pattern of value, but you could also predict the values to a new grid. To visualize the prediction in 3d, the rgl package might be useful:
# predict to new grid -----------------------------------------------------
grd <- expand.grid(
x=seq(min(x), max(x),,10),
y=seq(min(y), max(y),,10),
z=seq(min(z), max(z),,10)
)
grd$value <- predict.gam(fit, newdata = grd)
# plot prediction with rgl ------------------------------------------------
# original data
plot3d(x, y, z, col=val2col(value, col=jetPal(100)))
rgl.snapshot("original.png")
# interpolated data
plot3d(grd$x, grd$y, grd$z, col=val2col(grd$value, col=jetPal(100)), alpha=0.5, size=5)
rgl.snapshot("points.png")
spheres3d(grd$x, grd$y, grd$z, col=val2col(grd$value, col=jetPal(100)), alpha=0.3, radius=1)
rgl.snapshot("spheres.png")

I've found the way to do it.
I'll post an example, just in case it's useful for others.
I write only two dimensions (and only working on the coordinates) to make it clear, but it can be generalized to higher dimensions and summarizing the functions at every coordinate).
set.seed(1)
xx <- runif(30,0,100); yy <- runif(30,0,100)
datos <- data.frame(xx,yy) #sample data
plot(xx,yy,pch=20) # 2D plot to visualize it.
n <- 4 # Same number of splits on every axis. Simple example.
rango <- function(ii){(max(ii)-min(ii))+0.000001}
renorm<- function(jj) {trunc(n*(jj-min(jj))/rango(jj))+1}
result <- aggregate(cbind(xx,yy)~renorm(xx) + renorm(yy),datos, mean)
points(result$xx,result$yy,pch=20, col="red")
abline(v=( min(xx) + (rango(xx)/n)*0:n) )
abline(h=( min(yy) + (rango(yy)/n)*0:n) )
Everything could be modified with na.rm=T
Maybe there are a simpler solutions with split, cut, dplyr, data.table, tapply...
I like this way more than fixing the new points coordinates at the center of every subregion because if you have only 1 point it keeps its original coordinates.
The +0.000000001 is to avoid the last point to move to a subregion further.
The full solution would have been:
aggregate(cbind(xx,yy,zz, Value)~renorm(xx)+renorm(yy)+renorm(zz),datos, mean)
And it could be further improved by weighting distances.

Related

Calculation of allowed space within monte carlo simulated data of 3 variables (cube in 3D coordinates)

I´m working on the topic of calculating the robust working range of a process. For this purpose I´m building models from DOE data and simulating data with a monte carlo approach. Filtering the data with a criteria for the response leads to a allowed space (see plots for better visualization).
In the example below, there are 3 variables and the goal is to calculate the biggest possible square (in parallel with the axis) within the allowed room. This would describe the working range of the process. The coding is just to get every variable in the same range (-1 to 1).
library(tidyverse)
library(MASS)
library(ggplot2)
library(gridExtra)
library(rgl)
df<-data.frame(
X1=runif(100,0,2),
X2=runif(100,10,30),
X3=runif(100,5,75))%>%
mutate(Y1=2*X1-2*X2+X3)
f1<-Y1~X1+X2+X3
model1<- lm(f1, data=df)
m.c <- NULL
n=10000
for (k in 1:n)
{
X1=runif(1,0,2)
X2=runif(1,10,30)
X3=runif(1,5,75)
m.c = rbind(m.c, data.frame(X1, X2, X3))
}
m.c_coded<-m.c%>%
mutate(predict1=predict(model1, newdata = .))%>%
mutate(X1=(X1-1/1))%>%
mutate(X2=(X2-20)/10)%>%
mutate(X3=(X3-40)/35)
Space<- m.c_coded%>%
filter(predict1<=0)
p1<-ggplot(Space)+
geom_point(aes(X1, X2))+
xlim(-1,1)+
ylim(-1,1)
p2<-ggplot(Space)+
geom_point(aes(X1, X3))+
xlim(-1,1)+
ylim(-1,1)
p3<-ggplot(Space)+
geom_point(aes(X2, X3))+
xlim(-1,1)+
ylim(-1,1)
grid.arrange(arrangeGrob(p1,p2,p3, nrow = 1), nrow = 1)
MODR_plot3D<-plot3d( x=Space$X1, y=Space$X2, z=Space$X3, type = "p",
xlim = (c(-1,1)), ylim(c(-1,1)), zlim = (c(-1,1))
)
There are specialized programms for that (DOE software) which can calculate this so called Design-space, but I want to implement it in my R skript. Sadly I do not have any idea, how I can calculate the position (edges) of this square. My approach would be to find the maximum distance to the surface on (center of the square).
Does anyone an idea how I can calculate this cube in a proper way? If possible I want to extend this also for the n-dimensional room.

Plot decision boundary from weight vector

How do I plot decision boundary from weight vector?
My original data is 2-dimensional but non-linearly separable so I used a polynomial transformation of order 2 and therefore I ended up with a 6-dimensional weight vector.
Here's the code I used to generate my data:
polar2cart <- function(theta,R,x,y){
x = x+cos(theta) * R
y = y+sin(theta) * R
c=matrix(x,ncol=1000)
c=rbind(c,y)
}
cart2polar <- function(x, y)
{
r <- sqrt(x^2 + y^2)
t <- atan(y/x)
c(r,t)
}
R=5
eps=5
sep=-5
c1<-polar2cart(pi*runif(1000,0,1),runif(1000,0,eps)+R,0,0)
c2<-polar2cart(-pi*runif(1000,0,1),runif(1000,0,eps)+R,R+eps/2,-sep)
data <- data.frame("x" = append(c1[1,], c2[1,]), "y" = append(c1[2,], c2[2,]))
labels <- append(rep(1,1000), rep(-1, 1000))
and here's how it is displayed (using ggplot2):
Thank you in advance.
EDIT: I'm sorry if I didn't provide enough information about the weight vector. The algorithm I'm using is pocket which is a variation of perceptron, which means that the output weight vector is the perpendicular vector that determines the hyper-plane in the feature space plus the bias . Therefore, the hyper-plane equation is , where are the variables. Now, since I used a polynomial transformation of order 2 to go from a 2-dimensional space to a 5-dimensional space, my variables are : and thus the equation for my decision boundary is:
So basically, my question is how do I go about drawing my decision boundary given
PS: I've found a solution while waiting, it might not be the best approach but, it gives the expected results. I'll share it as soon as I finish my project if anyone is interested. Meanwhile, I'd love to hear a better alternative.

Find correct 2D translation of a subset of coordinates

I have a problem I wish to solve in R with example data below. I know this must have been solved many times but I have not been able to find a solution that works for me in R.
The core of what I want to do is to find how to translate a set of 2D coordinates to best fit into an other, larger, set of 2D coordinates. Imagine for example having a Polaroid photo of a small piece of the starry sky with you out at night, and you want to hold it up in a position so they match the stars' current positions.
Here is how to generate data similar to my real problem:
# create reference points (the "starry sky")
set.seed(99)
ref_coords = data.frame(x = runif(50,0,100), y = runif(50,0,100))
# generate points take subset of coordinates to serve as points we
# are looking for ("the Polaroid")
my_coords_final = ref_coords[c(5,12,15,24,31,34,48,49),]
# add a little bit of variation as compared to reference points
# (data should very similar, but have a little bit of noise)
set.seed(100)
my_coords_final$x = my_coords_final$x+rnorm(8,0,.1)
set.seed(101)
my_coords_final$y = my_coords_final$y+rnorm(8,0,.1)
# create "start values" by, e.g., translating the points we are
# looking for to start at (0,0)
my_coords_start =apply(my_coords_final,2,function(x) x-min(x))
# Plot of example data, goal is to find the dotted vector that
# corresponds to the translation needed
plot(ref_coords, cex = 1.2) # "Starry sky"
points(my_coords_start,pch=20, col = "red") # start position of "Polaroid"
points(my_coords_final,pch=20, col = "blue") # corrected position of "Polaroid"
segments(my_coords_start[1,1],my_coords_start[1,2],
my_coords_final[1,1],my_coords_final[1,2],lty="dotted")
Plotting the data as above should yield:
The result I want is basically what the dotted line in the plot above represents, i.e. a delta in x and y that I could apply to the start coordinates to move them to their correct position in the reference grid.
Details about the real data
There should be close to no rotational or scaling difference between my points and the reference points.
My real data is around 1000 reference points and up to a few hundred points to search (could use less if more efficient)
I expect to have to search about 10 to 20 sets of reference points to find my match, as many of the reference sets will not contain my points.
Thank you for your time, I'd really appreciate any input!
EDIT: To clarify, the right plot represent the reference data. The left plot represents the points that I want to translate across the reference data in order to find a position where they best match the reference. That position, in this case, is represented by the blue dots in the previous figure.
Finally, any working strategy must not use the data in my_coords_final, but rather reproduce that set of coordinates starting from my_coords_start using ref_coords.
So, the previous approach I posted (see edit history) using optim() to minimize the sum of distances between points will only work in the limited circumstance where the point distribution used as reference data is in the middle of the point field. The solution that satisfies the question and seems to still be workable for a few thousand points, would be a brute-force delta and comparison algorithm that calculates the differences between each point in the field against a single point of the reference data and then determines how many of the rest of the reference data are within a minimum threshold (which is needed to account for the noise in the data):
## A brute-force approach where min_dist can be used to
## ameliorate some random noise:
min_dist <- 5
win_thresh <- 0
win_thresh_old <- 0
for(i in 1:nrow(ref_coords)) {
x2 <- my_coords_start[,1]
y2 <- my_coords_start[,2]
x1 <- ref_coords[,1] + (x2[1] - ref_coords[i,1])
y1 <- ref_coords[,2] + (y2[1] - ref_coords[i,2])
## Calculate all pairwise distances between reference and field data:
dists <- dist( cbind( c(x1, x2), c(y1, y2) ), "euclidean")
## Only take distances for the sampled data:
dists <- as.matrix(dists)[-1*1:length(x1),]
## Calculate the number of distances within the minimum
## distance threshold minus the diagonal portion:
win_thresh <- sum(rowSums(dists < min_dist) > 1)
## If we have more "matches" than our best then calculate a new
## dx and dy:
if (win_thresh > win_thresh_old) {
win_thresh_old <- win_thresh
dx <- (x2[1] - ref_coords[i,1])
dy <- (y2[1] - ref_coords[i,2])
}
}
## Plot estimated correction (your delta x and delta y) calculated
## from the brute force calculation of shifts:
points(
x=ref_coords[,1] + dx,
y=ref_coords[,2] + dy,
cex=1.5, col = "red"
)
I'm very interested to know if there's anyone that solves this in a more efficient manner for the number of points in the test data, possibly using a statistical or optimization algorithm.

spatial distribution of points, R

What would be an easy way to generate a 3 different spatial distribution of points (N = 20 points) using R. For example, 1) random, 2) uniform, and 3) clustered on the same space (50 x 50 grid)?
1) Here's one way to get a very even spacing of 5 points in a 25 by 25 grid numbered from 1 each direction. Put points at (3,18), (8,3), (13,13), (18,23), (23,8); you should be able to generalize from there.
2) as you suggest, you could use runif ... but I'd have assumed from your question you actually wanted points on the lattice (i.e. integers), in which case you might use sample.
Are you sure you want continuous rather than discrete random variables?
3) This one is "underdetermined" - depending on how you want to define things there's a bunch of ways you might do it. e.g. if it's on a grid, you could sample points in such a way that points close to (but not exactly on) already sampled points had a much higher probability than ones further away; a similar setup works for continuous variables. Or you could generate more points than you need and eliminate the loneliest ones. Or you could start with random uniform points and them make them gravitate toward their neighbors. Or you could generate a few cluster-centers (4-10, say), and then scatter points about those centers. Or you could do any of a hundred other things.
A bit late, but the answers above do not really address the problem. Here is what you are looking for:
library(sp)
# make a grid of size 50*50
x1<-seq(1:50)-0.5
x2<-x1
grid<-expand.grid(x1,x2)
names(grid)<-c("x1","x2")
# make a grid a spatial object
coordinates(grid) <- ~x1+x2
gridded(grid) <- TRUE
First: random sampling
# random sampling
random.pt <- spsample(x = grid, n= 20, type = 'random')
Second: regular sampling
# regular sampling
regular.pt <- spsample(x = grid, n= 20, type = 'regular')
Third: clustered at a distance of 2 from a random location (can go outside the area)
# random sampling of one location
ori <- data.frame(spsample(x = grid, n= 1, type = 'random'))
# select randomly 20 distances between 0 and 2
n.point <- 20
h <- rnorm(n.point, 1:2)
# empty dataframe
dxy <- data.frame(matrix(nrow=n.point, ncol=2))
# take a random angle from the randomly selected location and make a dataframe of the new distances from the original sampling points, in a random direction
angle <- runif(n = n.point,min=0,max=2*pi)
dxy[,1]= h*sin(angle)
dxy[,2]= h*cos(angle)
cluster <- data.frame(x=rep(NA, 20), y=rep(NA, 20))
cluster$x <- ori$coords.x1 + dxy$X1
cluster$y <- ori$coords.x2 + dxy$X2
# make a spatial object and plot
coordinates(cluster)<- ~ x+y
plot(grid)
plot(cluster, add=T, col='green')
plot(random.pt, add=T, col= 'red')
plot(regular.pt, add=T, col= 'blue')

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