Methodology of high-dimensional data structuring in R vs. MATLAB
As has been pointed out, many of the more powerful analytical and visualization tools rely on data in long format. Certainly for transformations that benefit from matrix algebra you should keep stuff in arrays, but as soon as you're wanting run parallel analysis on subsets of your data, or plot stuff by factors in your data, you really want to melt
.
Here is an example to get you started with data.table
and ggplot
.
Array -> Data Table
First, let's make some data in your format:
series <- 3samples <- 2trials <- 4trial.labs <- paste("tr", seq(len=trials))trial.class <- sample(c("A", "B"), trials, rep=T)arr <- array( runif(series * samples * trials), dim=c(series, samples, trials), dimnames=list( ser=paste("ser", seq(len=series)), smp=paste("smp", seq(len=samples)), tr=trial.labs ))# , , tr = Trial 1# smp# ser smp 1 smp 2# ser 1 0.9648542 0.4134501# ser 2 0.7285704 0.1393077# ser 3 0.3142587 0.1012979## ... omitted 2 trials ...# # , , tr = Trial 4# smp# ser smp 1 smp 2# ser 1 0.5867905 0.5160964# ser 2 0.2432201 0.7702306# ser 3 0.2671743 0.8568685
Now we have a 3 dimensional array. Let's melt
and turn it into a data.table
(note melt
operates on data.frames
, which are basically data.table
s sans bells & whistles, so we have to first melt, then convert to data.table
):
library(reshape2)library(data.table)dt.raw <- data.table(melt(arr), key="tr") # we'll get to what the `key` arg is doing later# ser smp tr value# 1: ser 1 smp 1 tr 1 0.53178276# 2: ser 2 smp 1 tr 1 0.28574271# 3: ser 3 smp 1 tr 1 0.62991366# 4: ser 1 smp 2 tr 1 0.31073376# 5: ser 2 smp 2 tr 1 0.36098971# --- # 20: ser 2 smp 1 tr 4 0.38049334# 21: ser 3 smp 1 tr 4 0.14170226# 22: ser 1 smp 2 tr 4 0.63719962# 23: ser 2 smp 2 tr 4 0.07100314# 24: ser 3 smp 2 tr 4 0.11864134
Notice how easy this was, with all our dimension labels trickling through to the long format. One of the bells & whistles of data.tables
is the ability to do indexed merges between data.table
s (much like MySQL indexed joins). So here, we will do that to bind the class
to our data:
dt <- dt.raw[J(trial.labs, class=trial.class)] # on the fly mapping of trials to class# tr ser smp value class# 1: Trial 1 ser 1 smp 1 0.9648542 A# 2: Trial 1 ser 2 smp 1 0.7285704 A# 3: Trial 1 ser 3 smp 1 0.3142587 A# 4: Trial 1 ser 1 smp 2 0.4134501 A# 5: Trial 1 ser 2 smp 2 0.1393077 A# --- # 20: Trial 4 ser 2 smp 1 0.2432201 A# 21: Trial 4 ser 3 smp 1 0.2671743 A# 22: Trial 4 ser 1 smp 2 0.5160964 A# 23: Trial 4 ser 2 smp 2 0.7702306 A# 24: Trial 4 ser 3 smp 2 0.8568685 A
A few things to understand:
J
creates adata.table
from vectors- attempting to subset the rows of one
data.table
with another data table (i.e. using adata.table
as the first argument after the brace in[.data.table
) causesdata.table
to left join (in MySQL parlance) the outer table (dt
in this case) to the inner table (the one created on the fly byJ
) in this case. The join is done on thekey
column(s) of the outerdata.table
, which as you may have noticed we defined in themelt
/data.table
conversion step earlier.
You'll have to read the documentation to fully understand what's going on, but think of J(trial.labs, class=trial.class)
being effectively equivalent to creating a data.table
with data.table(trial.labs, class=trial.class)
, except J
only works when used inside [.data.table
.
So now, in one easy step we have our class data attached to the values. Again, if you need matrix algebra, operate on your array first, and then in two or three easy commands switch back to the long format. As noted in the comments, you probably don't want to be going back and forth from the long to array formats unless you have a really good reason to be doing so.
Once things are in data.table
, you can group/aggregate your data (similar to the concept of split-apply-combine style) quite easily. Suppose we want to get summary statistics for each class
-sample
combination:
dt[, as.list(summary(value)), by=list(class, smp)]# class smp Min. 1st Qu. Median Mean 3rd Qu. Max.# 1: A smp 1 0.08324 0.2537 0.3143 0.4708 0.7286 0.9649# 2: A smp 2 0.10130 0.1609 0.5161 0.4749 0.6894 0.8569# 3: B smp 1 0.14050 0.3089 0.4773 0.5049 0.6872 0.8970# 4: B smp 2 0.08294 0.1196 0.1562 0.3818 0.5313 0.9063
Here, we just give data.table
an expression (as.list(summary(value))
) to evaluate for every class
, smp
subset of the data (as specified in the by
expression). We need as.list
so that the results are re-assembled by data.table
as columns.
You could just as easily have calculated moments (e.g. list(mean(value), var(value), (value - mean(value))^3
) for any combination of the class/sample/trial/series variables.
If you want to do simple transformations to the data it is very easy with data.table
:
dt[, value:=value * 10] # modify in place with `:=`, very efficientdt[1:2] # see, `value` now 10x # tr ser smp value class# 1: Trial 1 ser 1 smp 1 9.648542 A# 2: Trial 1 ser 2 smp 1 7.285704 A
This is an in-place transformation, so there are no memory copies, which makes it fast. Generally data.table
tries to use memory as efficiently as possible and as such is one of the fastest ways to do this type of analysis.
Plotting From Long Format
ggplot
is fantastic for plotting data in long format. I won't get into the details of what's happening, but hopefully the images will give you an idea of what you can do
library(ggplot2)ggplot(data=dt, aes(x=ser, y=smp, color=class, size=value)) + geom_point() + facet_wrap( ~ tr)
ggplot(data=dt, aes(x=tr, y=value, fill=class)) + geom_bar(stat="identity") + facet_grid(smp ~ ser)
ggplot(data=dt, aes(x=tr, y=paste(ser, smp))) + geom_tile(aes(fill=value)) + geom_point(aes(shape=class), size=5) + scale_fill_gradient2(low="yellow", high="blue", midpoint=median(dt$value))
Data Table -> Array -> Data Table
First we need to acast
(from package reshape2
) our data table back to an array:
arr.2 <- acast(dt, ser ~ smp ~ tr, value.var="value")dimnames(arr.2) <- dimnames(arr) # unfortunately `acast` doesn't preserve dimnames properly# , , tr = Trial 1# smp# ser smp 1 smp 2# ser 1 9.648542 4.134501# ser 2 7.285704 1.393077# ser 3 3.142587 1.012979# ... omitted 3 trials ...
At this point, arr.2
looks just like arr
did, except with values multiplied by 10. Note we had to drop the class
column. Now, let's do some trivial matrix algebra
shuff.mat <- matrix(c(0, 1, 1, 0), nrow=2) # re-order columnsfor(i in 1:dim(arr.2)[3]) arr.2[, , i] <- arr.2[, , i] %*% shuff.mat
Now, let's go back to long format with melt
. Note the key
argument:
dt.2 <- data.table(melt(arr.2, value.name="new.value"), key=c("tr", "ser", "smp"))
Finally, let's join back dt
and dt.2
. Here you need to be careful. The behavior of data.table
is that the inner table will be joined to the outer table based on all the keys of the inner table if the outer table has no keys. If the inner table has keys, data.table
will join key to key. This is a problem here because our intended outer table, dt
already has a key on only tr
from earlier, so our join will happen on that column only. Because of that, we need to either drop the key on the outer table, or reset the key (we chose the latter here):
setkey(dt, tr, ser, smp)dt[dt.2]# tr ser smp value class new.value# 1: Trial 1 ser 1 smp 1 9.648542 A 4.134501# 2: Trial 1 ser 1 smp 2 4.134501 A 9.648542# 3: Trial 1 ser 2 smp 1 7.285704 A 1.393077# 4: Trial 1 ser 2 smp 2 1.393077 A 7.285704# 5: Trial 1 ser 3 smp 1 3.142587 A 1.012979# --- # 20: Trial 4 ser 1 smp 2 5.160964 A 5.867905# 21: Trial 4 ser 2 smp 1 2.432201 A 7.702306# 22: Trial 4 ser 2 smp 2 7.702306 A 2.432201# 23: Trial 4 ser 3 smp 1 2.671743 A 8.568685# 24: Trial 4 ser 3 smp 2 8.568685 A 2.671743
Note that data.table
carries out joins by matching key columns, that is - by matching the first key column of the outer table to the first column/key of the inner table, the second to the second, and so on, not considering column names (there's a FR here). If your tables / keys are not in the same order (as was the case here, if you noticed), you either need to re-order your columns or make sure that both tables have keys on the columns you want in the same order (what we did here). The reason the columns were not in the correct order is because of the first join we did to add the class in, which joined on tr
and caused that column to become the first one in the data.table
.
Maybe dplyr::tbl_cube ?
Working on from @BrodieG's excellent answer, I think that you may find it useful to look at the new functionality available from dplyr::tbl_cube
. This is essentially a multidimensional object that you can easily create from a list of arrays (as you're currently using), which has some really good functions for subsetting, filtering and summarizing which (importantly, I think) are used consistently across the "cube" view and "tabular" view of the data.
require(dplyr)
Couple of caveats:
It's an early release: all the issues that go along with that
It's recommended for this version to unload plyr when dplyr is loaded
Loading arrays into cubes
Here's an example using arr
as defined in the other answer:
# using arr from previous example# we can convert it simply into a tbl_cubearr.cube<-as.tbl_cube(arr)arr.cube #Source: local array [24 x 3] #D: ser [chr, 3] #D: smp [chr, 2] #D: tr [chr, 4] #M: arr [dbl[3,2,4]]
So note that D means Dimensions and M Measures, and you can have as many as you like of each.
Easy conversion from multi-dimensional to flat
You can easily make the data tabular by returning it as a data.frame (which you can simply convert to a data.table if you need the functionality and performance benefits later)
head(as.data.frame(arr.cube))# ser smp tr arr#1 ser 1 smp 1 tr 1 0.6656456#2 ser 2 smp 1 tr 1 0.6181301#3 ser 3 smp 1 tr 1 0.7335676#4 ser 1 smp 2 tr 1 0.9444435#5 ser 2 smp 2 tr 1 0.8977054#6 ser 3 smp 2 tr 1 0.9361929
Subsetting
You could obviously flatten all data for every operation, but that has many implications for performance and utility. I think the real benefit of this package is that you can "pre-mine" the cube for the data that you require before converting it into a tabular format that is ggplot-friendly, e.g. simple filtering to return only series 1:
arr.cube.filtered<-filter(arr.cube,ser=="ser 1")as.data.frame(arr.cube.filtered)# ser smp tr arr#1 ser 1 smp 1 tr 1 0.6656456#2 ser 1 smp 2 tr 1 0.9444435#3 ser 1 smp 1 tr 2 0.4331116#4 ser 1 smp 2 tr 2 0.3916376#5 ser 1 smp 1 tr 3 0.4669228#6 ser 1 smp 2 tr 3 0.8942300#7 ser 1 smp 1 tr 4 0.2054326#8 ser 1 smp 2 tr 4 0.1006973
tbl_cube currently works with the dplyr
functions summarise()
, select()
, group_by()
and filter()
. Usefully you can chain these together with the %.%
operator.
For the rest of the examples, I'm going to use the inbuilt nasa
tbl_cube object, which has a bunch of meteorological data (and demonstrates multiple dimensions and measures):
Grouping and summary measures
nasa#Source: local array [41,472 x 4]#D: lat [dbl, 24]#D: long [dbl, 24]#D: month [int, 12]#D: year [int, 6]#M: cloudhigh [dbl[24,24,12,6]]#M: cloudlow [dbl[24,24,12,6]]#M: cloudmid [dbl[24,24,12,6]]#M: ozone [dbl[24,24,12,6]]#M: pressure [dbl[24,24,12,6]]#M: surftemp [dbl[24,24,12,6]]#M: temperature [dbl[24,24,12,6]]
So here is an example showing how easy it is to pull back a subset of modified data from the cube, and then flatten it so that it's appropriate for plotting:
plot_data<-as.data.frame( # as.data.frame so we can see the datafilter(nasa,long<(-70)) %.% # filter long < (-70) (arbitrary!)group_by(lat,long) %.% # group by lat/long combosummarise(p.max=max(pressure), # create summary measures for each group o.avg=mean(ozone), c.all=(cloudhigh+cloudlow+cloudmid)/3))head(plot_data)# lat long p.max o.avg c.all#1 36.20000 -113.8 975 310.7778 22.66667#2 33.70435 -113.8 975 307.0833 21.33333#3 31.20870 -113.8 990 300.3056 19.50000#4 28.71304 -113.8 1000 290.3056 16.00000#5 26.21739 -113.8 1000 282.4167 14.66667#6 23.72174 -113.8 1000 275.6111 15.83333
Consistent notation for n-d and 2-d data structures
Sadly the mutate()
function isn't yet implemented for tbl_cube
but looks like that will just be a matter of (not much) time. You can use it (and all the other functions that work on the cube) on the tabular result, though - with exactly the same notation. For example:
plot_data.mod<-filter(plot_data,lat>25) %.% # filter out lat <=25mutate(arb.meas=o.avg/p.max) # make a new columnhead(plot_data.mod)# lat long p.max o.avg c.all arb.meas#1 36.20000 -113.8000 975 310.7778 22.66667 0.3187464#2 33.70435 -113.8000 975 307.0833 21.33333 0.3149573#3 31.20870 -113.8000 990 300.3056 19.50000 0.3033389#4 28.71304 -113.8000 1000 290.3056 16.00000 0.2903056#5 26.21739 -113.8000 1000 282.4167 14.66667 0.2824167#6 36.20000 -111.2957 930 313.9722 20.66667 0.3376045
Plotting - as an example of R functionality that "likes" flat data
Then you can plot with ggplot()
using the benefits of flattened data:
# plot as you like:ggplot(plot_data.mod) + geom_point(aes(lat,long,size=c.all,color=c.all,shape=cut(p.max,6))) + facet_grid( lat ~ long ) + theme(axis.text.x = element_text(angle = 90, hjust = 1))
Using data.table on the resulting flat data
I'm not going to expand on the use of data.table
here, as it's done well in the previous answer. Obviously there are many good reasons to use data.table
- for any situation here you can return one by a simple conversion of the data.frame:
data.table(as.data.frame(your_cube_name))
Working dynamically with your cube
Another thing I think is great is the ability to add measures (slices / scenarios / shifts, whatever you want to call them) to your cube. I think this will fit well with the method of analysis described in the question. Here's a simple example with arr.cube
- adding an additional measure which is itself an (admittedly simple) function of the previous measure. You access/update measures through the syntax yourcube$mets[$...]
head(as.data.frame(arr.cube))# ser smp tr arr#1 ser 1 smp 1 tr 1 0.6656456#2 ser 2 smp 1 tr 1 0.6181301#3 ser 3 smp 1 tr 1 0.7335676#4 ser 1 smp 2 tr 1 0.9444435#5 ser 2 smp 2 tr 1 0.8977054#6 ser 3 smp 2 tr 1 0.9361929arr.cube$mets$arr.bump<-arr.cube$mets$arr*1.1 #arb modification!head(as.data.frame(arr.cube))# ser smp tr arr arr.bump#1 ser 1 smp 1 tr 1 0.6656456 0.7322102#2 ser 2 smp 1 tr 1 0.6181301 0.6799431#3 ser 3 smp 1 tr 1 0.7335676 0.8069244#4 ser 1 smp 2 tr 1 0.9444435 1.0388878#5 ser 2 smp 2 tr 1 0.8977054 0.9874759#6 ser 3 smp 2 tr 1 0.9361929 1.0298122
Dimensions - or not ...
I've played a little with trying to dynamically add entirely new dimensions (effectively scaling up an existing cube with additional dimensions and cloning or modifying the original data using yourcube$dims[$...]
) but have found the behaviour to be a little inconsistent. Probably best to avoid this anyway, and structure your cube first before manipulating it. Will keep you posted if I get anywhere.
Persistance
Obviously one of the main issues with having interpreter access to a multidimensional database is the potential to accidentally bugger it with an ill-timed keystroke. So I guess just persist early and often:
tempfilename<-gsub("[ :-]","",paste0("DBX",(Sys.time()),".cub"))# save:save(arr.cube,file=tempfilename)# load:load(file=tempfilename)
Hope that helps!