General-Purpose Unconstrained Non-Linear Optimization
Description
An algorithm for general-purpose unconstrained non-linear optimization. The
algorithm is of quasi-Newton type with BFGS updating of the inverse
Hessian and soft line search with a trust region type monitoring of the
input to the line search algorithm. The interface of ‘ucminf’ is
designed for easy interchange with ‘optim’.
Usage
ucminf(par, fn, gr = NULL, ..., control = list(), hessian = 0)
Arguments
par |
Initial estimate of minimum for fn .
|
fn |
Objective function to be minimized.
|
gr |
Gradient of objective function. If NULL a finite difference
approximation is used.
|
... |
Optional arguments passed to the objective and gradient functions.
|
control |
A list of control parameters. See ‘Details’.
|
hessian |
Integer value:
- 0
-
No hessian approximation is
returned.
- 1
-
Returns a numerical approximation of the Hessian using
‘hessian’ in the package ‘numDeriv’.
- 2
-
Returns final
approximation of the inverse Hessian based on the series of BFGS updates
during optimization.
- 3
-
Same at 2, but will also return the Hessian
(the inverse of 2).
If a TRUE or FALSE value is given it will
switch between option 1 or 0.
|
Details
The algorithm is documented in (Nielsen, 2000) (see References below)
together with a comparison to the Fortran subroutine ‘MINF’ and the
Matlab function ‘fminunc’. The implementation of ‘ucminf’ in
R uses the original Fortran version of the algorithm.
The interface in R is designed so that it is very easy to switch
between using ‘ucminf’ and ‘optim’. The
arguments par
, fn
, gr
, and hessian
are all the same (with a few extra options for hessian
in
‘ucminf’). The difference is that there is no method
argument in ‘ucminf’ and that some of the components in the
control
argument are different due to differences in the algorithms.
The algorithm can be given an initial estimate of the Hessian for the
optimization and it is possible to get the final approximation of the
Hessian based on the series of BFGS updates. This extra functionality
may be useful for optimization in a series of related problems.
The functions fn
and gr
can return Inf
or NaN
if the functions cannot be evaluated at the supplied value, but the
functions must be computable at the initial value. The functions
are not allowed to return NA
. Any names given to par
will be
copied to the vectors passed to fn
and gr
. No
other attributes of par
are copied over.
The control
argument is a list that can supply any of the
following components:
trace
-
If trace is positive then detailed tracing
information is printed for each iteration.
grtol
-
The algorithm stops when
∣∣F′(x)∣∣∞≤
grtol, that is when the
largest absolute value of the gradient is less than grtol. Default value is
grtol = 1e-6
.
xtol
-
The algorithm stops when ∣∣x−xp∣∣2≤xtol⋅(xtol+∣∣x∣∣2)
, where xp
and x
are the previous and current estimate
of the minimizer. Thus the algorithm stops when the last relative step length
is sufficiently small. Default value is xtol = 1e-12
.
stepmax
-
Initial maximal allowed step length (radius of
trust-region). The value is updated during the optimization. Default value
is stepmax = 1
.
maxeval
-
The maximum number of function evaluations.
A function evaluation is counted as one evaluation of the objective function
and of the gradient function. Default value is maxeval = 500
.
grad
-
Either ‘forward’ or ‘central’. Controls
the type of finite difference approximation to be used for the gradient if no
gradient function is given in the input argument ‘gr’. Default value
is grad = 'forward'
.
gradstep
-
Vector of length 2. The step length in finite
difference approximation for the gradient. Step length is
∣xi∣⋅gradstep[1]+gradstep[2]
. Default value is gradstep = c(1e-6, 1e-8)
.
invhessian.lt
-
A vector with an initial approximation to the
lower triangle of the inverse Hessian. If not given, the inverse Hessian is
initialized as the identity matrix. If H0
is the initial hessian
matrix then the lower triangle of the inverse of H0
can be found as
invhessian.lt = solve(H0)[lower.tri(H0,diag=TRUE)]
.
Value
ucminf
returns a list of class 'ucminf'
containing the following elements:
par |
Computed minimizer.
|
value |
Objective function value at computed minimizer.
|
convergence |
Flag for reason of termination:
- 1
-
Stopped by small gradient (grtol).
- 2
-
Stopped by small step (xtol).
- 3
-
Stopped by function evaluation limit (maxeval).
- 4
-
Stopped by zero step from line search
- -2
-
Computation did not start: length(par) = 0.
- -4
-
Computation did not start: stepmax is too small.
- -5
-
Computation did not start: grtol or xtol <= 0.
- -6
-
Computation did not start: maxeval <= 0.
- -7
-
Computation did not start: given Hessian not pos. definite.
|
message |
String with reason of termination.
|
hessian , invhessian
|
Estimate of (inv.) Hessian at computed minimizer.
The type of estimate is given by the input argument ‘hessian’.
|
invhessian.lt |
The lower triangle of the final approximation to the
inverse Hessian based on the series of BFGS updates during optimization.
|
info |
Information about the search:
- maxgradient
-
∣∣F′(x)∣∣∞ , the largest element
in the absolute value of the gradient at the computed minimizer.
- laststep
-
Length of last step.
- stepmax
-
Final maximal allowed step length.
- neval
-
Number of calls to both objective and gradient function.
|
Author(s)
‘UCMINF’ algorithm design and Fortran code by Hans Bruun
Nielsen.
K Hervé Dakpo took over maintenance of the package in May. 2023.
Implementation in R by Stig B. Mortensen, [email protected].
Modifications by Douglas Bates [email protected], Nov. 2010, to
support nested optimization and correct issues with printing on Windows.
References
Nielsen, H. B. (2000) ‘UCMINF - An Algorithm For
Unconstrained, Nonlinear Optimization’, Report IMM-REP-2000-19, Department of
Mathematical Modelling, Technical University of Denmark.
http://www.imm.dtu.dk/documents/ftp/tr00/tr19_00.pdf
The original Fortran source code was found at
http://www2.imm.dtu.dk/projects/hbn_software/ucminf.f
.
(That URL is no longer available but archived at
https://web.archive.org/web/20050418082240/http://www.imm.dtu.dk/~hbn/Software/ucminf.f
– Dr Nielsen passed away in 2015). The code has been slightly modified in
this package to be suitable for use with R.
The general structure of the implementation in R is based on the
package ‘FortranCallsR’ by Diethelm Wuertz.
See Also
optim
, nlminb
,
nlm
.
Examples
fR <- function(x) (1 - x[1])^2 + 100 * (x[2] - x[1]^2)^2
gR <- function(x) c(-400 * x[1] * (x[2] - x[1] * x[1]) - 2 * (1 - x[1]),
200 * (x[2] - x[1] * x[1]))
ucminf(par = c(2,.5), fn = fR, gr = gR, control = list(trace = 1))