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    Modified:   analysis/ash_delta_operator.Rmd
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Introduction

Here I am going to experiment with EM algorithm for estimating parameters of ridge regression in different parameterizations.

Initial derivations of EM updates are here. I initially implemented 1,2, and 5 in that document.

A futher derivation for another parameterization is here.

Simple parameterization

\[y \sim N(Xb,s^2)\] \[b \sim N(0,s_b^2I)\]

ridge_em1 = function(y,X, s2,sb2, niter=10){
  XtX = t(X) %*% X
  Xty = t(X) %*% y
  yty = t(y) %*% y
  n = length(y)
  p = ncol(X)
  loglik = rep(0,niter)
  for(i in 1:niter){
    V = chol2inv(chol(XtX+ diag(s2/sb2,p))) 
    
    SigmaY = sb2 *(X %*% t(X)) + diag(s2,n)
    loglik[i] = mvtnorm::dmvnorm(as.vector(y),sigma = SigmaY,log=TRUE)
    
    Sigma1 = s2*V  # posterior variance of b
    mu1 = as.vector(V %*% Xty) # posterior mean of b
    
    s2 = as.vector((yty + sum(diag(XtX %*% (mu1 %*% t(mu1) + Sigma1)))- 2*sum(Xty*mu1))/n)
    sb2 = mean(mu1^2+diag(Sigma1))
   
  }
  return(list(s2=s2,sb2=sb2,loglik=loglik,postmean=mu1))
}

Scaled parameterization

In this parameterization I take the \(s_b\) out of the prior and put it \[y \sim N(s_b Xb,s^2)\] \[b \sim N(0,I)\].

ridge_em2 = function(y,X, s2,sb2, niter=10){
  XtX = t(X) %*% X
  Xty = t(X) %*% y
  yty = t(y) %*% y
  n = length(y)
  p = ncol(X)
  loglik = rep(0,niter)
  for(i in 1:niter){
    V = chol2inv(chol(XtX+ diag(s2/sb2,p))) 
    
    SigmaY = sb2 *(X %*% t(X)) + diag(s2,n)
    loglik[i] = mvtnorm::dmvnorm(as.vector(y),sigma = SigmaY,log=TRUE)
    
    Sigma1 = (s2/sb2)*V  # posterior variance of b
    mu1 = (sqrt(sb2)/s2)*as.vector(Sigma1 %*% Xty) # posterior mean of b
    
    sb2 = (sum(mu1*Xty)/sum(diag(XtX %*% (mu1 %*% t(mu1) + Sigma1))))^2
    s2 = as.vector((yty + sb2*sum(diag(XtX %*% (mu1 %*% t(mu1) + Sigma1)))- 2*sqrt(sb2)*sum(Xty*mu1))/n)
  }
  return(list(s2=s2,sb2=sb2,loglik=loglik,postmean=mu1*sqrt(sb2)))
}

A hybrid/redundant parameterization

Motivated by initial observations that 1 and 2 can converge well in different settings I implemented a hybrid of the two:

\[y \sim N(s_b Xb,s^2)\] \[b \sim N(0,\lambda^2).\] Note that there is a redundancy/non-identifiability here as the likelihood depends only on \(s_b^2 \lambda^2\). The hope is to get the best of both worlds…

ridge_em3 = function(y,X, s2, sb2, l2, niter=10){
  XtX = t(X) %*% X
  Xty = t(X) %*% y
  yty = t(y) %*% y
  n = length(y)
  p = ncol(X)
  loglik = rep(0,niter)
  for(i in 1:niter){
    V = chol2inv(chol(XtX+ diag(s2/(sb2*l2),p))) 
    
    SigmaY = l2*sb2 *(X %*% t(X)) + diag(s2,n)
    loglik[i] = mvtnorm::dmvnorm(as.vector(y),sigma = SigmaY,log=TRUE)
    
    Sigma1 = (s2/sb2)*V  # posterior variance of b
    mu1 = (1/sqrt(sb2))*as.vector(V %*% Xty) # posterior mean of b
    
   
    sb2 = (sum(mu1*Xty)/sum(diag(XtX %*% (mu1 %*% t(mu1) + Sigma1))))^2
    s2 = as.vector((yty + sb2*sum(diag(XtX %*% (mu1 %*% t(mu1) + Sigma1)))- 2*sqrt(sb2)*sum(Xty*mu1))/n)
     
    l2 = mean(mu1^2+diag(Sigma1))
   
  }
  return(list(s2=s2,sb2=sb2,l2=l2,loglik=loglik,postmean=mu1*sqrt(sb2)))
}

Avoiding large 2nd moment computation

The previous parameterizations require the full second moment of \(b\), which is a \(p\) times \(p\) matrix. This can be expensive to compute if \(p\) is big. The following parameterization avoids this.

\[y \sim N(sXb, s^2 I)\]

\[b \sim N(0,s_b^2I)\]

(Note that for simplicity I still do compute the \(p \times p\) matrix, as for now it is the easiest way to implement the ridge regression).

dot = function(x,y){sum(x*y)}

ridge_em4 = function(y, X, s2, sb2,  niter=10){
  XtX = t(X) %*% X
  Xty = t(X) %*% y
  yty = t(y) %*% y
  n = length(y)
  p = ncol(X)
  loglik = rep(0,niter)
  for(i in 1:niter){
    
    SigmaY = s2*sb2 *(X %*% t(X)) + diag(s2,n)
    loglik[i] = mvtnorm::dmvnorm(as.vector(y),sigma = SigmaY,log=TRUE)
    
    Sigma1 = chol2inv(chol(XtX + diag(1/sb2,p)))  # posterior variance of b
    mu1 = (1/sqrt(s2))*as.vector(Sigma1 %*% Xty) # posterior mean of b
    
    sb2 = mean(mu1^2+diag(Sigma1))
    yhat = X %*% mu1
    
    s2 = drop((0.5/n)* (sqrt(dot(y,yhat)^2 + 4*n*yty) - dot(y,yhat)))^2
   
  }
  return(list(s2=s2,sb2=sb2,loglik=loglik,postmean=mu1*sqrt(s2)))
}

Simple Simulations

This is a simple simulation with independent design matrix.

High signal:

This simulation has high signal:

set.seed(100)
sd = 1
n = 100
p = n
X = matrix(rnorm(n*p),ncol=n)
btrue = rnorm(n)
y = X %*% btrue + sd*rnorm(n)

plot(X %*% btrue, y)

Version Author Date
547645e Matthew Stephens 2020-05-29
b637a05 Matthew Stephens 2020-05-29
y.em1 = ridge_em1(y,X,1,1,100)
y.em2 = ridge_em2(y,X,1,1,100)
y.em3 = ridge_em3(y,X,1,1,1,100)
y.em4 = ridge_em4(y,X,1,1,100)

plot_loglik = function(res){
  maxloglik = max(res[[1]]$loglik)
  minloglik = min(res[[1]]$loglik)
  maxlen =length(res[[1]]$loglik)
  for(i in 2:length(res)){
    maxloglik = max(c(maxloglik,res[[i]]$loglik))
    minloglik = min(c(minloglik,res[[i]]$loglik))
    maxlen= max(maxlen, length(res[[i]]$loglik))
  }
  
  
  plot(res[[1]]$loglik,type="n",ylim=c(minloglik,maxloglik),xlim=c(0,maxlen),ylab="log-likelihood",
       xlab="iteration")
  for(i in 1:length(res)){
    lines(res[[i]]$loglik,col=i,lwd=2)
  }

}
res = list(y.em1,y.em2,y.em3,y.em4)
plot_loglik(res)

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29
b637a05 Matthew Stephens 2020-05-29

No signal

This simulation has no signal (b=0):

btrue = rep(0,n)
y = X %*% btrue + sd*rnorm(n)

y.em1 = ridge_em1(y,X,1,1,100)
y.em2 = ridge_em2(y,X,1,1,100)
y.em3 = ridge_em3(y,X,1,1,1,100)
y.em4 = ridge_em4(y,X,1,1,100)

plot_loglik(list(y.em1,y.em2,y.em3,y.em4))

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29
b637a05 Matthew Stephens 2020-05-29

Trendfiltering Simulations

This is more challenging example (in that the design matrix is correlated)

High Signal

set.seed(100)
sd = 1
n = 100
p = n
X = matrix(0,nrow=n,ncol=n)
for(i in 1:n){
  X[i:n,i] = 1:(n-i+1)
}
btrue = rep(0,n)
btrue[40] = 8
btrue[41] = -8
y = X %*% btrue + sd*rnorm(n)

plot(y)
lines(X %*% btrue)

y.em1 = ridge_em1(y,X,1,1,100)
lines(X %*% y.em1$postmean,col=1,lwd=2)

y.em2 = ridge_em2(y,X,1,1,100)
lines(X %*% y.em2$postmean,col=2,lwd=2)

y.em3 = ridge_em3(y,X,1,1,1,100)
lines(X %*% y.em3$postmean,col=3,lwd=2)

y.em4 = ridge_em4(y,X,1,1,100)
lines(X %*% y.em4$postmean,col=4,lwd=2)

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29
b637a05 Matthew Stephens 2020-05-29

Look at the likelihoods:

plot_loglik(list(y.em1,y.em2,y.em3,y.em4))

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29

Run the second one longer and check it:

y.em2 = ridge_em2(y,X,1,1,1000)
plot_loglik(list(y.em1,y.em2,y.em3,y.em4))

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29
y.em1$sb2
[1] 0.02203472
y.em2$sb2
[1] 0.02305466
y.em3$sb2*y.em3$l2
[1] 0.02189412
y.em4$sb2 * y.em4$s2
[1] 0.02435217
y.em1$s2
[1] 1.612878
y.em2$s2
[1] 1.606894
y.em3$s2
[1] 1.613795
y.em4$s2
[1] 1.566927

Different initializations

Try starting \(s\) in wrong place

y.em1 = ridge_em1(y,X,10,1,100)
y.em2 = ridge_em2(y,X,10,1,100)
y.em3 = ridge_em3(y,X,10,1,1,100)
y.em4 = ridge_em4(y,X,10,1,100)
plot_loglik(list(y.em1,y.em2,y.em3,y.em4))

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29

Try starting \(s2\) in wrong place

y.em1 = ridge_em1(y,X,1,10,100)
y.em2 = ridge_em2(y,X,1,10,100)
y.em3 = ridge_em3(y,X,1,10,10,100)
y.em4 = ridge_em4(y,X,1,10,100)
plot_loglik(list(y.em1,y.em2,y.em3,y.em4))

Version Author Date
547645e Matthew Stephens 2020-05-29

Try starting both in wrong place. Interestingly in this example em4 seems to converge to a local optimum?

y.em1 = ridge_em1(y,X,.1,10,100)
y.em2 = ridge_em2(y,X,.1,10,100)
y.em3 = ridge_em3(y,X,.1,10,10,100)
y.em4 = ridge_em4(y,X,.1,10,100)
plot_loglik(list(y.em1,y.em2,y.em3,y.em4))

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29
y.em4$s2
[1] 0.1075621
y.em1$s2
[1] 1.609084

No signal case

Try no signal case – the convergence issues are reversed!

sd = 1
n = 100
p = n
X = matrix(0,nrow=n,ncol=n)
for(i in 1:n){
  X[i:n,i] = 1:(n-i+1)
}
btrue = rep(0,n)

y = X %*% btrue + sd*rnorm(n)

plot(y)
lines(X %*% btrue)

y.em1 = ridge_em1(y,X,1,1,100)
lines(X %*% y.em1$postmean,col=1,lwd=2)

y.em2 = ridge_em2(y,X,1,1,100)
lines(X %*% y.em2$postmean,col=2,lwd=2)

y.em3 = ridge_em3(y,X,1,1,1,100)
lines(X %*% y.em3$postmean,col=3,lwd=2)

y.em4 = ridge_em4(y,X,1,1,100)
lines(X %*% y.em4$postmean,col=4,lwd=2)

Version Author Date
89c0a67 Matthew Stephens 2020-05-29
547645e Matthew Stephens 2020-05-29

The EM2 and EM3 converge faster here:

plot_loglik(list(y.em1,y.em2,y.em3,y.em4))

Try starting the expanded algorithm from very large lambda… it still seems to work.

y.em3b = ridge_em3(y,X,1,1,100,100)
plot_loglik(list(y.em1,y.em2,y.em3b,y.em4))

The next step seems to be to combine the expanded idea with algorithm em4….


sessionInfo()
R version 3.6.0 (2019-04-26)
Platform: x86_64-apple-darwin15.6.0 (64-bit)
Running under: macOS Mojave 10.14.6

Matrix products: default
BLAS:   /Library/Frameworks/R.framework/Versions/3.6/Resources/lib/libRblas.0.dylib
LAPACK: /Library/Frameworks/R.framework/Versions/3.6/Resources/lib/libRlapack.dylib

locale:
[1] en_US.UTF-8/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8

attached base packages:
[1] stats     graphics  grDevices utils     datasets  methods   base     

loaded via a namespace (and not attached):
 [1] workflowr_1.6.1 Rcpp_1.0.4.6    mvtnorm_1.1-1   rprojroot_1.3-2
 [5] digest_0.6.25   later_1.0.0     R6_2.4.1        backports_1.1.5
 [9] git2r_0.26.1    magrittr_1.5    evaluate_0.14   stringi_1.4.6  
[13] rlang_0.4.5     fs_1.3.2        promises_1.1.0  whisker_0.4    
[17] rmarkdown_2.1   tools_3.6.0     stringr_1.4.0   glue_1.4.0     
[21] httpuv_1.5.2    xfun_0.12       yaml_2.2.1      compiler_3.6.0 
[25] htmltools_0.4.0 knitr_1.28