dev/testing_nnls.R

In ffeng23/ADASPR: An R package to characterize the distributed affinities in a multi-ligand system

x<-c(0:100)
degree<-100
fc<-factorial(c(1:degree))
k<- -1; #-1
xpoly<-poly(x*k,degree=degree,raw=T)

y<-exp(k*x)

y_poly<-rep(0,length(x))
for(i in c(1:length(x)))
{
y_poly[i]<-sum(xpoly[i,]/fc)+1
}


plot(x,y, log="", main="fitting exponential with polynomial")

lines(x,y_poly, col=2, lty=2 )
legend(5,0.8, c("exponential exp(-x)","polynomial with degree of 200"), col=c(1,2), pch=c(1,-1), lty=c(-1,2))
#y<-y-1
xpoly.fac<-xpoly/fc

lm.ne<-lm(formula = y ~ xpoly, 
	#weights = 1/factorial(floor(x + 0.1))
	weights=1/exp(x)
	)
## start doing polynomial fitting of exponential to see how far we need to go with degrees
#fitpoly<-lm(y~poly(x,degree=4, raw=TRUE), weights= 1/factorial(floor(x + 0.1)))
y.noise<-y+rnorm(length(y),0,1)

lm.nens<-lm(formula = y.noise ~ xpoly, 
	#weights = 1/factorial(floor(x + 0.1))
	weights=1/exp(x)
	)
x_poly_1<-cbind(1,xpoly.fac)

exp.nnls<-nnls(x_poly_1,y.noise)