Saturday, September 19, 2015

Update to rateshift method that results in much better optimization for models with multiple shifts

I have been working on the phytools function rateshift, for locating one or multiple temporal shifts in the rate of evolution for a continuous character on the tree.

This function has nice print and plot methods, and would seem to be quite nice - however it suffers from one fairly critical problem which is that it doesn't really work. That is to say, it frequently fails to find the MLE solution.

I have put a little effort into overhauling the guts of this function now; with the main and most critical update being that the function now uses the phytools function brownie.lite to find the MLE rates conditioned on a given set of shift points; rather than simultaneously optimizing rates & shift points. This effectively halves the dimensionality of the optimization, and this seems to have had a very nice effect on performance (although there is still the chance of being stuck on local optima, as we'll see below).

library(devtools)
install_github("liamrevell/phytools",quiet=TRUE)
library(phytools)
## Loading required package: ape
## Loading required package: maps

Now, we can start by simulating a tree and data in which there are two shift points, and thus three Brownian rates:

set.seed(99)
tree<-pbtree(n=50,scale=100)
x<-sim.rates(tree<-make.era.map(tree,c(0,60,85)),
    setNames(c(5,20,1),1:3))
## these are our simulated regimes:
plot(tree,setNames(c("purple","red","blue"),1:3),fsize=0.8,ftype="i",
    mar=c(3.1,0.1,0.1,0.1))
axis(1)

plot of chunk unnamed-chunk-2

Let's fit one, two, three, and four rate models to these data:

fit1<-rateshift(tree,x,nrates=1,niter=10)
## Optimization progress:
## |..........|
## Done.
fit1
## ML 1-rate model:
##  s^2(1)  se(1)   k   logL    
## value    7.4779  1.4956  2   -206.1193
## 
## This is a one-rate model.
## 
## Frequency of best fit: 1 
## 
## R thinks it has found the ML solution.
fit2<-rateshift(tree,x,nrates=2,niter=10)
## Optimization progress:
## |..........|
## Done.
fit2
## ML 2-rate model:
##  s^2(1)  se(1)   s^2(2)  se(2)   k   logL    
## value    13.8711 3.3579  0.5263  0.2124  4   -193.311
## 
## Shift point(s) between regimes (height above root):
##  1|2 se(1|2) 
## value    88.4271 0.0436
## 
## Frequency of best fit: 0.9 
## 
## R thinks it has found the ML solution.
fit3<-rateshift(tree,x,nrates=3,niter=10)
## Optimization progress:
## |..........|
## Done.
fit3
## ML 3-rate model:
##  s^2(1)  se(1)   s^2(2)  se(2)   s^2(3)  se(3)   k   logL    
## value    7e-04   NaN 16.5352 4.7994  0.5158  0.2057  6   -190.4577
## 
## Shift point(s) between regimes (height above root):
##  1|2 se(1|2) 2|3 se(2|3) 
## value    48.8951 10.6356 88.4271 0.0387
## 
## Frequency of best fit: 0.7 
## 
## R thinks it has found the ML solution.
fit4<-rateshift(tree,x,nrates=4,niter=10)
## Optimization progress:
## |..........|
## Done.
fit4
## ML 4-rate model:
##  s^2(1)  se(1)   s^2(2)  se(2)   s^2(3)  se(3)   s^2(4)  se(4)   k   logL    
## value    7e-04   NaN 833.039 NaN 5.0879  2.2729  0.5437  0.2229  8   -188.5406
## 
## Shift point(s) between regimes (height above root):
##  1|2 se(1|2) 2|3 se(2|3) 3|4 se(3|4) 
## value    68.2645 NaN 69.0033 NaN 90.5243 0.07
## 
## Frequency of best fit: 0.2 
## 
## R thinks it has found the ML solution.
AIC(fit1,fit2,fit3,fit4)
##      df      AIC
## fit1  2 416.2387
## fit2  4 394.6221
## fit3  6 392.9153
## fit4  8 393.0813

We can plot our best model, in this case the generating, three-rate model:

plot(fit3,fsize=0.8)

plot of chunk unnamed-chunk-4

Finally, I mentioned that it is possible to get trapped on local optima. This is true, somewhat surprisingly, even for the relatively simple, two-rate model. We can see why by visualizing the likelihood surface across the length of the tree:

shift<-1:99/100*max(nodeHeights(tree))
logL<-sapply(shift,function(s,tree,x) logLik(rateshift(tree,x,fixed.shift=s,
    quiet=TRUE)),tree=tree,x=x)
plot(shift,logL,type="l",lwd=2)
plotTree(tree,color=rgb(0,0,1,0.25),ftype="off",mar=c(5.1,4.1,4.1,2.1),
    add=TRUE)

plot of chunk unnamed-chunk-5

We can also do this in two dimensions for the three-rate model:

shift<-seq(2,98,by=2)/100*max(nodeHeights(tree))
logL<-sapply(shift,function(s1,s2,tree,x) 
    sapply(s2,function(s2,s1,tree,x) 
    logLik(rateshift(tree,x,fixed.shift=if(s1!=s2) c(s1,s2) else s1,
    quiet=TRUE)),s1=s1,tree=tree,x=x),s2=shift,tree=tree,x=x)
image(shift,shift,logL,col=gray.colors(60,0,1),xlab="shift 1 (or 2)",
    ylab="shift 2 (or 1)")
points(fit3$shift[1],fit3$shift[2],pch=4) ## MLE
points(fit3$shift[2],fit3$shift[1],pch=4)

plot of chunk unnamed-chunk-6

Or, alternatively:

library(lattice)
wireframe(logL,row.values=shift,column.values=shift,xlab="shift 1 (or 2)",
    ylab="shift 2 (or 1)",colorkey=TRUE,drape=TRUE)

plot of chunk unnamed-chunk-7

Interesting!

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