--- title: A Quick Demo of trustOptim author: Michael Braun date: "`r Sys.Date()`" output: rmarkdown::html_vignette bibliography: trustOptim.bib vignette: > %\VignetteIndexEntry{Quick demo} %\VignetteEngine{knitr::rmarkdown} \usepackage[utf8]{inputenc} --- ```{r, echo = FALSE} knitr::opts_chunk$set(collapse = TRUE, comment = "#", message=FALSE) options(digits=4, scipen=0) ``` This is a quick demo of how to use the *trustOptim* package. For this example, the objective function is the Rosenbrock function. $$ f(x_{1:N},y_{1:N})=\sum_{i=1}^N \left[100\left(x^2_i-y_i\right)^2+\left(x_i-1\right)^2\right] $$ The parameter vector contains $2N$ variables ordered as $x_1, y_1, x_2, y_2, ... x_n, y_n$. The optimum of the function is a vector of ones, and the value at the minimum is zero. The following functions return the objective, gradient, and Hessian (in sparse format) of this function. ```{r} require(trustOptim) require(Matrix) f <- function(V) { N <- length(V)/2 x <- V[seq(1,2*N-1,by=2)] y <- V[seq(2,2*N,by=2)] return(sum(100*(x^2-y)^2+(x-1)^2)) } df <- function(V) { N <- length(V)/2 x <- V[seq(1,2*N-1,by=2)] y <- V[seq(2,2*N,by=2)] t <- x^2-y dxi <- 400*t*x+2*(x-1) dyi <- -200*t return(as.vector(rbind(dxi,dyi))) } hess <- function(V) { N <- length(V)/2 x <- V[seq(1,2*N-1,by=2)] y <- V[seq(2,2*N,by=2)] d0 <- rep(200,N*2) d0[seq(1,(2*N-1),by=2)] <- 1200*x^2-400*y+2 d1 <- rep(0,2*N-1) d1[seq(1,(2*N-1),by=2)] <- -400*x H <- bandSparse(2*N, k=c(-1,0,1), diagonals=list(d1,d0,d1), symmetric=FALSE, repr='C') return(drop0(H)) } ``` For this demo, we start at a random vector. ```{r} set.seed(1234) N <- 3 start <- as.vector(rnorm(2*N, -1, 3)) ``` Next, we call `trust.optim`, with all default arguments. ```{r} opt <- trust.optim(start, fn=f, gr=df, hs=hess, method="Sparse") ``` In the above output, `f` is the objective function, and `nrm_gr` is the norm of the gradient. The `status` messages illustrate how the underlying trust region algorithm is progressing, and are useful mainly for debugging purposes. Note that the objective value is non-increasing at each iteration, but the norm of the gradient is not. The algorithm will continue until either the norm of the gradient is less than the control parameter `prec`, the trust region radius is less than `stop.trust.radius`, or the iteration count exceeds `maxit`. See the package manual for details of the control parameters. We use the default control parameters for this demo (hence, there is no control list here. The result contains the objective value, the minimum, the gradient at the minimum (should be numerically zero for all elements), and the Hessian at the minimum. ```{r} opt ``` Note that `opt$fval`, and all elements of `opt$gradient` are zero, within machine precision. The solution is correct, and the Hessian is returned as a compressed sparse Matrix object (refer to the *Matrix* package for details). One way to *potentially* speed up convergence (but not necessarily compute time) is to apply a preconditioner to the algorithm. Other than the identity matrix (the default), the package current supports only a modified Cholesky preconditioner. This is implemented with a control parameter `preconditioner=1`. To save space, we report the optimizer status only ever 10 iterations. ```{r} opt1 <- trust.optim(start, fn=f, gr=df, hs=hess, method="Sparse", control=list(preconditioner=1, report.freq=10)) ``` Here, we see that adding the preconditioner actually increases the number of iterations. Sometimes preconditioners help a lot, and sometimes not at all. ##Quasi-Newton Methods The `trust.optim` function also supports quasi-Newton approximations to the Hessian. The two options are BFGS and SR1 updates. See @NocedalWright2006 for details. You do not need to provide the Hessian for these methods, and they are often preferred when the Hessian is dense. However, they may take longer to converge, which is why we need to change the `maxit` control parameter. To save space, we report the status of the optimizer only every 10 iterations. ```{r} opt.bfgs <- trust.optim(start, fn=f, gr=df, method="BFGS", control=list(maxit=5000, report.freq=10)) opt.bfgs ``` And we can do the same thing with SR1 updates. ```{r} opt.sr1 <- trust.optim(start, fn=f, gr=df, method="SR1", control=list(maxit=5000, report.freq=10)) opt.sr1 ``` Note that the quasi_Newton updates do not return a Hessian. We do not think that the final approximations from BFGS or SR1 updates are particularly reliable. If you need the Hessian, you can use the *sparseHessianFD* package. # References