stdlib_linalg_least_squares.fypp Source File


Source Code

#:include "common.fypp"
#:set RC_KINDS_TYPES = REAL_KINDS_TYPES + CMPLX_KINDS_TYPES
#:set RHS_SUFFIX = ["one","many"]
#:set RHS_SYMBOL = [ranksuffix(r) for r in [1,2]]
#:set RHS_EMPTY  = [emptyranksuffix(r) for r in [1,2]]
#:set ALL_RHS    = list(zip(RHS_SYMBOL,RHS_SUFFIX,RHS_EMPTY))
submodule (stdlib_linalg) stdlib_linalg_least_squares
!! Least-squares solution to Ax=b
     use stdlib_linalg_constants
     use stdlib_linalg_lapack, only: gelsd, stdlib_ilaenv
     use stdlib_linalg_state, only: linalg_state_type, linalg_error_handling, LINALG_ERROR, &
         LINALG_INTERNAL_ERROR, LINALG_VALUE_ERROR
     implicit none(type,external)
     
     character(*), parameter :: this = 'lstsq'

     contains

     elemental subroutine handle_gelsd_info(info,lda,n,ldb,nrhs,err)
          integer(ilp), intent(in) :: info,lda,n,ldb,nrhs
          type(linalg_state_type), intent(out) :: err

          ! Process output
          select case (info)
             case (0)
                 ! Success
             case (:-1)
                 err = linalg_state_type(this,LINALG_VALUE_ERROR,'invalid problem size a=',[lda,n], &
                                                                                    ', b=',[ldb,nrhs])
             case (1:)
                 err = linalg_state_type(this,LINALG_ERROR,'SVD did not converge.')
             case default
                 err = linalg_state_type(this,LINALG_INTERNAL_ERROR,'catastrophic error')
          end select

      end subroutine handle_gelsd_info

     #:for rk,rt,ri in RC_KINDS_TYPES
     ! Workspace needed by gelsd
     elemental subroutine ${ri}$gelsd_space(m,n,nrhs,lrwork,liwork,lcwork)
         integer(ilp), intent(in) :: m,n,nrhs
         integer(ilp), intent(out) :: lrwork,liwork,lcwork

         integer(ilp) :: smlsiz,mnmin,nlvl

         mnmin = min(m,n)

         ! Maximum size of the subproblems at the bottom of the computation (~25)
         smlsiz = stdlib_ilaenv(9,'${ri}$gelsd',' ',0,0,0,0)

         ! The exact minimum amount of workspace needed depends on M, N and NRHS. 
         nlvl = max(0, ilog2(mnmin/(smlsiz+1))+1)

         ! Real space
         #:if rt.startswith('complex')
         lrwork = 10*mnmin+2*mnmin*smlsiz+8*mnmin*nlvl+3*smlsiz*nrhs+max((smlsiz+1)**2,n*(1+nrhs)+2*nrhs)
         #:else
         lrwork = 12*mnmin+2*mnmin*smlsiz+8*mnmin*nlvl+mnmin*nrhs+(smlsiz+1)**2
         #:endif
         lrwork = max(1,lrwork)

         ! Complex space
         lcwork = 2*mnmin + nrhs*mnmin

         ! Integer space
         liwork = max(1, 3*mnmin*nlvl+11*mnmin)

         ! For good performance, the workspace should generally be larger. 
         ! Allocate 25% more space than strictly needed.
         lrwork = ceiling(1.25*lrwork,kind=ilp)
         lcwork = ceiling(1.25*lcwork,kind=ilp)
         liwork = ceiling(1.25*liwork,kind=ilp)

     end subroutine ${ri}$gelsd_space

     #:endfor

     #:for nd,ndsuf,nde in ALL_RHS
     #:for rk,rt,ri in RC_KINDS_TYPES

     ! Compute the integer, real, [complex] working space requested byu the least squares procedure
     pure module subroutine stdlib_linalg_${ri}$_lstsq_space_${ndsuf}$(a,b,lrwork,liwork#{if rt.startswith('c')}#,lcwork#{endif}#)
         !> Input matrix a[m,n]
         ${rt}$, intent(in), target :: a(:,:)
         !> Right hand side vector or array, b[m] or b[m,nrhs]
         ${rt}$, intent(in) :: b${nd}$
         !> Size of the working space arrays       
         integer(ilp), intent(out) :: lrwork,liwork
         integer(ilp) #{if rt.startswith('c')}#, intent(out)#{endif}# :: lcwork
         
         integer(ilp) :: m,n,nrhs
         
         m    = size(a,1,kind=ilp)
         n    = size(a,2,kind=ilp)
         nrhs = size(b,kind=ilp)/size(b,1,kind=ilp)
                  
         call ${ri}$gelsd_space(m,n,nrhs,lrwork,liwork,lcwork)
             
     end subroutine stdlib_linalg_${ri}$_lstsq_space_${ndsuf}$

     ! Compute the least-squares solution to a real system of linear equations Ax = b
     module function stdlib_linalg_${ri}$_lstsq_${ndsuf}$(a,b,cond,overwrite_a,rank,err) result(x)
     !!### Summary
     !! Compute least-squares solution to a real system of linear equations \( Ax = b \) 
     !!
     !!### Description
     !!
     !! This function computes the least-squares solution of a linear matrix problem.
     !!
     !! param: a Input matrix of size [m,n].
     !! param: b Right-hand-side vector of size [m] or matrix of size [m,nrhs].
     !! param: cond [optional] Real input threshold indicating that singular values `s_i <= cond*maxval(s)` 
     !!        do not contribute to the matrix rank.
     !! param: overwrite_a [optional] Flag indicating if the input matrix can be overwritten.
     !! param: rank [optional] integer flag returning matrix rank. 
     !! param: err [optional] State return flag. 
     !! return: x Solution vector of size [n] or solution matrix of size [n,nrhs].
     !!
         !> Input matrix a[m,n]
         ${rt}$, intent(inout), target :: a(:,:)
         !> Right hand side vector or array, b[m] or b[m,nrhs]
         ${rt}$, intent(in) :: b${nd}$
         !> [optional] cutoff for rank evaluation: singular values s(i)<=cond*maxval(s) are considered 0.
         real(${rk}$), optional, intent(in) :: cond
         !> [optional] Can A,b data be overwritten and destroyed?
         logical(lk), optional, intent(in) :: overwrite_a
         !> [optional] Return rank of A
         integer(ilp), optional, intent(out) :: rank
         !> [optional] state return flag. On error if not requested, the code will stop
         type(linalg_state_type), optional, intent(out) :: err
         !> Result array/matrix x[n] or x[n,nrhs]
         ${rt}$, allocatable, target :: x${nd}$         
         
         integer(ilp) :: n,nrhs,ldb

         n    = size(a,2,kind=ilp)
         ldb  = size(b,1,kind=ilp)         
         nrhs = size(b,kind=ilp)/ldb
         
         ! Initialize solution with the shape of the rhs
         #:if ndsuf=="one"
         allocate(x(n))
         #:else
         allocate(x(n,nrhs))
         #:endif

         call stdlib_linalg_${ri}$_solve_lstsq_${ndsuf}$(a,b,x,&
              cond=cond,overwrite_a=overwrite_a,rank=rank,err=err)

     end function stdlib_linalg_${ri}$_lstsq_${ndsuf}$

     ! Compute the least-squares solution to a real system of linear equations Ax = b
     module subroutine stdlib_linalg_${ri}$_solve_lstsq_${ndsuf}$(a,b,x,real_storage,int_storage, &
             #{if rt.startswith('c')}#cmpl_storage,#{endif}# cond,singvals,overwrite_a,rank,err) 
             
     !!### Summary
     !! Compute least-squares solution to a real system of linear equations \( Ax = b \) 
     !!
     !!### Description
     !!
     !! This function computes the least-squares solution of a linear matrix problem.
     !!
     !! param: a Input matrix of size [m,n].
     !! param: b Right-hand-side vector of size [n] or matrix of size [n,nrhs].
     !! param: x Solution vector of size at [>=n] or solution matrix of size [>=n,nrhs].
     !! param: real_storage [optional] Real working space
     !! param: int_storage [optional] Integer working space
     #:if rt.startswith('c')   
     !! param: cmpl_storage [optional] Complex working space
     #:endif
     !! param: cond [optional] Real input threshold indicating that singular values `s_i <= cond*maxval(s)` 
     !!        do not contribute to the matrix rank.
     !! param: singvals [optional] Real array of size [min(m,n)] returning a list of singular values.
     !! param: overwrite_a [optional] Flag indicating if the input matrix can be overwritten.
     !! param: rank [optional] integer flag returning matrix rank. 
     !! param: err [optional] State return flag.      
     !!
         !> Input matrix a[n,n]
         ${rt}$, intent(inout), target :: a(:,:)
         !> Right hand side vector or array, b[n] or b[n,nrhs]
         ${rt}$, intent(in) :: b${nd}$
         !> Result array/matrix x[n] or x[n,nrhs]
         ${rt}$, intent(inout), contiguous, target :: x${nd}$     
         !> [optional] real working storage space
         real(${rk}$), optional, intent(inout), target :: real_storage(:)
         !> [optional] integer working storage space
         integer(ilp), optional, intent(inout), target :: int_storage(:)
         #:if rt.startswith('c')   
         !> [optional] complex working storage space
         ${rt}$, optional, intent(inout), target :: cmpl_storage(:)                  
         #:endif
         !> [optional] cutoff for rank evaluation: singular values s(i)<=cond*maxval(s) are considered 0.
         real(${rk}$), optional, intent(in) :: cond
         !> [optional] list of singular values [min(m,n)], in descending magnitude order, returned by the SVD
         real(${rk}$), optional, intent(out), target :: singvals(:)         
         !> [optional] Can A,b data be overwritten and destroyed?
         logical(lk), optional, intent(in) :: overwrite_a
         !> [optional] Return rank of A
         integer(ilp), optional, intent(out) :: rank
         !> [optional] state return flag. On error if not requested, the code will stop
         type(linalg_state_type), optional, intent(out) :: err
         
         !! Local variables
         type(linalg_state_type) :: err0
         integer(ilp) :: m,n,lda,ldb,nrhs,ldx,nrhsx,info,mnmin,mnmax,arank,lrwork,liwork,lcwork
         integer(ilp) :: nrs,nis,nsvd
         #:if rt.startswith('complex')         
         integer(ilp) :: ncs
         #:endif
         integer(ilp), pointer :: iwork(:)
         logical(lk) :: copy_a,large_enough_x
         real(${rk}$) :: acond,rcond
         real(${rk}$), pointer :: rwork(:),singular(:)
         ${rt}$, pointer :: xmat(:,:),amat(:,:)
         #:if rt.startswith('complex')         
         ${rt}$, pointer :: cwork(:)
         #:endif  

         ! Problem sizes
         m     = size(a,1,kind=ilp)
         lda   = size(a,1,kind=ilp)
         n     = size(a,2,kind=ilp)
         ldb   = size(b,1,kind=ilp)
         nrhs  = size(b  ,kind=ilp)/ldb
         ldx   = size(x,1,kind=ilp)
         nrhsx = size(x  ,kind=ilp)/ldx
         mnmin = min(m,n)
         mnmax = max(m,n)

         if (lda<1 .or. n<1 .or. ldb<1 .or. ldb/=m .or. ldx<n) then
            err0 = linalg_state_type(this,LINALG_VALUE_ERROR,'insufficient sizes: a=',[lda,n], &
                                                             'b=',[ldb,nrhs],' x=',[ldx,nrhsx])
            call linalg_error_handling(err0,err)
            if (present(rank)) rank = 0
            return
         end if

         ! Can A be overwritten? By default, do not overwrite
         if (present(overwrite_a)) then
            copy_a = .not.overwrite_a
         else
            copy_a = .true._lk
         endif

         ! Initialize a matrix temporary
         if (copy_a) then
            allocate(amat(lda,n),source=a)
         else
            amat => a
         endif

         ! If x is large enough to store b, use it as temporary rhs storage. 
         large_enough_x = ldx>=m
         if (large_enough_x) then          
            xmat(1:ldx,1:nrhs) => x
         else
            allocate(xmat(m,nrhs))
         endif

         #:if ndsuf=="one"
         xmat(1:m,1) = b
         #:else
         xmat(1:m,1:nrhs) = b
         #:endif

         ! Singular values array (in decreasing order)
         if (present(singvals)) then 
            singular => singvals            
            nsvd = size(singular,kind=ilp)
         else
            allocate(singular(mnmin))
            nsvd = mnmin
         endif
         
         ! rcond is used to determine the effective rank of A.
         ! Singular values S(i) <= RCOND*maxval(S) are treated as zero.
         ! Use same default value as NumPy
         if (present(cond)) then
            rcond = cond
         else
            rcond = epsilon(0.0_${rk}$)*mnmax
         endif
         if (rcond<0) rcond = epsilon(0.0_${rk}$)*mnmax

         ! Get working space size
         call ${ri}$gelsd_space(m,n,nrhs,lrwork,liwork,lcwork)
         
         ! Real working space
         if (present(real_storage)) then 
            rwork => real_storage            
         else
            allocate(rwork(lrwork))
         endif
         nrs = size(rwork,kind=ilp)

         ! Integer working space
         if (present(int_storage)) then 
            iwork => int_storage            
         else
            allocate(iwork(liwork))
         endif
         nis = size(iwork,kind=ilp)
         
         #:if rt.startswith('complex')         
         ! Complex working space
         if (present(cmpl_storage)) then 
            cwork => cmpl_storage            
         else
            allocate(cwork(lcwork))
         endif
         ncs = size(cwork,kind=ilp)
         #:endif         
                    
         if (nrs<lrwork .or. nis<liwork#{if rt.startswith('c')}# .or. ncs<lcwork#{endif}# &
             .or. nsvd<mnmin) then 
            ! Halt on insufficient space
            err0 = linalg_state_type(this,LINALG_VALUE_ERROR,'insufficient working space: ',&
                         'real=',nrs,' should be >=',lrwork, &
                        ', int=',nis,' should be >=',liwork, &
                        #{if rt.startswith('complex')}#', cmplx=',ncs,' should be >=',lcwork, &#{endif}# 
                      ', singv=',nsvd,' should be >=',mnmin)
         
         else

            ! Solve system using singular value decomposition
            call gelsd(m,n,nrhs,amat,lda,xmat,ldb,singular,rcond,arank, &
            #:if rt.startswith('complex')
                       cwork,ncs,rwork,iwork,info)
            #:else
                       rwork,nrs,iwork,info)
            #:endif

            ! The condition number of A in the 2-norm = S(1)/S(min(m,n)).
            acond = singular(1)/singular(mnmin)

            ! Process output
            call handle_gelsd_info(info,lda,n,ldb,nrhs,err0)
         
         endif           
                  
         ! Process output and return
         if (.not.large_enough_x) then 
            #:if ndsuf=="one"
            x(1:n) = xmat(1:n,1)
            #:else
            x(1:n,1:nrhs) = xmat(1:n,1:nrhs)
            #:endif
            deallocate(xmat)
         endif
         if (copy_a) deallocate(amat)         

         if (present(rank)) rank = arank
         if (.not.present(real_storage)) deallocate(rwork)
         if (.not.present(int_storage))  deallocate(iwork)
         #:if rt.startswith('complex') 
         if (.not.present(cmpl_storage)) deallocate(cwork)
         #:endif
         if (.not.present(singvals)) deallocate(singular)
         call linalg_error_handling(err0,err)

     end subroutine stdlib_linalg_${ri}$_solve_lstsq_${ndsuf}$

     #:endfor
     #:endfor

     ! Simple integer log2 implementation
     elemental integer(ilp) function ilog2(x)
        integer(ilp), intent(in) :: x

        integer(ilp) :: remndr

        if (x>0) then
           remndr = x
           ilog2 = -1_ilp
           do while (remndr>0)
               ilog2  = ilog2 + 1_ilp
               remndr = shiftr(remndr,1)
           end do
        else
           ilog2 = -huge(0_ilp)
        endif
     end function ilog2

end submodule stdlib_linalg_least_squares