GALAHAD LMS package#

purpose#

Given a sequence of vectors \(\{s_k\}\) and \(\{y_k\}\) and scale factors \(\{\delta_k\}\), the lms package obtains the product of a limited-memory secant approximation \(H_k\) (or its inverse) with a given vector, using one of a variety of well-established formulae.

Currently only the options and inform dictionaries are exposed; these are provided and used by other GALAHAD packages with Python interfaces. Please contact us if you would like full functionality!

See Section 4 of $GALAHAD/doc/lms.pdf for additional details.

method#

Given a sequence of vectors \(\{s_k\}\) and \(\{y_k\}\) and scale factors \(\delta_k\), a limited-memory secant approximation \(H_k\) is chosen so that \(H_{\max(k-m,0)} = \delta_k I\), \(H_{k-j} s_{k-j} = y_{k-j}\) and \(\| H_{k-j+1} - H_{k-j}\|\) is ``small’’ for \(j = \min(k-1,m-1), \ldots, 0\). Different ways of quantifying ``small’’ distinguish different methods, but the crucial observation is that it is possible to construct \(H_k\) quickly from \(\{s_k\}\), \(\{y_k\}\) and \(\delta_k\), and to apply it and its inverse to a given vector \(v\). It is also possible to apply similar formulae to the ``shifted’’ matrix \(H_k + \lambda_k I\) that occurs in trust-region methods.

reference#

The basic methods are those given by

R. H. Byrd, J. Nocedal and R. B. Schnabel, ``Representations of quasi-Newton matrices and their use in limited memory methods’’. Mathematical Programming **63(2)* (1994) 129–156,

with obvious extensions.

parametric real type T#

Below, the symbol T refers to a parametric real type that may be Float32 (single precision), Float64 (double precision) or, if supported, Float128 (quadruple precision).

callable functions#

    function lms_initialize(T, data, control, status)

Parameters:

data

holds private internal data

control

is a structure containing control information (see lms_control_type)

status

is a scalar variable of type Int32 that gives the exit status from the package. Possible values are (currently):

  • 0

    The initialization was successful.

    function lms_information(T, data, inform, status)

Provides output information

Parameters:

data

holds private internal data

inform

is a structure containing output information (see lms_inform_type)

status

is a scalar variable of type Int32 that gives the exit status from the package. Possible values are (currently):

  • 0

    The values were recorded successfully

    function lms_terminate(T, data, control, inform)

Deallocate all internal private storage

Parameters:

data

holds private internal data

control

is a structure containing control information (see lms_control_type)

inform

is a structure containing output information (see lms_inform_type)

available structures#

lms_control_type structure#

    struct lms_control_type{T}
      f_indexing::Bool
      error::Int32
      out::Int32
      print_level::Int32
      memory_length::Int32
      method::Int32
      any_method::Bool
      space_critical::Bool
      deallocate_error_fatal::Bool
      prefix::NTuple{31,Cchar}

detailed documentation#

control derived type as a Julia structure

components#

Bool f_indexing

use C or Fortran sparse matrix indexing

Int32 error

unit for error messages

Int32 out

unit for monitor output

Int32 print_level

controls level of diagnostic output

Int32 memory_length

limited memory length

Int32 method

limited-memory formula required (others may be added in due course):

  • 1 BFGS (default).

  • 2 Symmetric Rank-One (SR1).

  • 3 The inverse of the BFGS formula.

  • 4 The inverse of the shifted BFGS formula. This should be used instead of .method = 3 whenever a shift is planned.

Bool any_method

allow space to permit different methods if required (less efficient)

Bool space_critical

if space is critical, ensure allocated arrays are no bigger than needed

Bool deallocate_error_fatal

exit if any deallocation fails

NTuple{31,Cchar} prefix

all output lines will be prefixed by prefix(2:LEN(TRIM(.prefix))-1) where prefix contains the required string enclosed in quotes, e.g. “string” or ‘string’

lms_time_type structure#

    struct lms_time_type{T}
      total::T
      setup::T
      form::T
      apply::T
      clock_total::T
      clock_setup::T
      clock_form::T
      clock_apply::T

detailed documentation#

time derived type as a Julia structure

components#

T total

total cpu time spent in the package

T setup

cpu time spent setting up space for the secant approximation

T form

cpu time spent updating the secant approximation

T apply

cpu time spent applying the secant approximation

T clock_total

total clock time spent in the package

T clock_setup

clock time spent setting up space for the secant approximation

T clock_form

clock time spent updating the secant approximation

T clock_apply

clock time spent applying the secant approximation

lms_inform_type structure#

    struct lms_inform_type{T}
      status::Int32
      alloc_status::Int32
      length::Int32
      updates_skipped::Bool
      bad_alloc::NTuple{81,Cchar}
      time::lms_time_type{T}

detailed documentation#

inform derived type as a Julia structure

components#

Int32 status

the return status. Possible values are:

  • 0

    the update was successful.

  • -1

    An allocation error occurred. A message indicating the offending array is written on unit control.error, and the returned allocation status and a string containing the name of the offending array are held in inform.alloc_status and inform.bad_alloc respectively.

  • -2

    A deallocation error occurred. A message indicating the offending array is written on unit control.error and the returned allocation status and a string containing the name of the offending array are held in inform.alloc_status and inform.bad_alloc respectively.

  • -3

    One of the restrictions \(n > 0\), \(\delta_k > 0\), \(\lambda_k > 0\) or \(s_k^T y_k > 0\) has been violated and the update has been skipped.

  • -10

    The matrix cannot be built from the current vectors \(\{s_k\}\) and \(\{y_k\}\) and values \(\delta_k\) and \(\lambda_k\) and the update has been skipped.

  • -31

    A call to the function lhs_apply has been made without a prior call to lhs_form_shift or lhs_form with lambda specified when control.method = 4, or lhs_form_shift has been called when control.method = 3, or lhs_change_method has been called after control.any_method = false was specified when calling lhs_setup.

Int32 alloc_status

the status of the last attempted allocation/deallocation

Int32 length

the number of pairs \((s_k,y_k)\) currently used to represent the limited-memory matrix.

Bool updates_skipped

have \((s_k,y_k)\) pairs been skipped when forming the limited-memory matrix?

NTuple{81,Cchar} bad_alloc

the name of the array for which an allocation/deallocation error occurred.

struct lms_time_type time

timings (see above)