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Numerical solution of spatiotemporal models
               from ecology
         Implementing implicit FDM in C++


               Kyrre Wahl Kongsgaard

                    University of Amsterdam
             http://student.science.uva.nl/∼kyrre/


    Introduction to Computational Science project
          presentation – November 1, 2010
Classical models.



   The classical mass-interaction models for population
   dynamics ignore the distribution of organisms and variation of
   the physical environment in space.

                                   du
                                   dt
                                        = au − buv,
               Lotka-Volterra:
                                   dv
                                   dt
                                        = −cv + fuv.
   We want to extend these models by including the continuous
   spatial position, and model the population density.
Reaction-Diffusion Systems.
  A natural approach is to consider reaction-diffusion systems,
  which are coupled PDE


                                                      2
   General reaction-diffusion system: ∂t q = D            q + R(q)

  which for a two 2D species predator-prey system reduces to:

                                    
                                    ut
                                              = Du ∆u + f (u, v),
                                    
                                    
                                    v
                                       t       = Dv ∆v + g(u, v),
  Predator-Prey with diffusion
                                    f (u, v) = P(u) − E(u, v),
                                    
                                    
                                    
                                     g(u, v) = κE(u, v) − µv
                                    

  where P(u) represents the local growth and natural mortality
  of the prey, E(u, v) the interaction or predation, µ the
  mortality rate of the prey and κ the food utilization.
Dimensionless form and discretization of the domain.


  A specific choice for P(u),E(u, v), κ and µ is used to model a
  Zooplankton-Phytoplankton aquatic community, here in
  dimensionless form.
                              
                                                             uv
                              ut
                                       = ∆u + u(1 − u) −   u+ h
                                                                 ,
                              
                                        = ∆v + k uuvh − mv,
                              
                              v
                                 t                +
   Plankton interations:
                               u · n = 0, (x, y) ∈ ∂Ω,
                              
                              
                              
                                v · n = 0, (x, y) ∈ ∂Ω
                              

  We discretize space Ω = [a, b]2 by choosing a finite number of
  equally spaced points, (xi , yj ) = (i∆x, j∆y), and time by a
  countable number of points 0 = t0 , t1 , . . . , where tm = m∆t.
Finite-difference scheme.

   Inserting the approximations for the time and space
   derivatives
                        
                        um ≈ u(xi , yj , tm ) = u(i∆x, j∆y, m∆t),
                         i,j
                        
                                            um+1 −um
                        
                         ∂ u(xi ,yj ,tm )
                                           ≈ i,j ∆t i,j ,
                        
                        
                               ∂t
                             2                         um+1j −2um+1 +um+,j1
                         ∂ u(xi ,yj ,tm ) ≈            i−1,    i,j   i+1
                                                                                    ,
                         2 ∂ x2                              ∆x 2
                        
                        
                         ∂ u(xi ,yj ,tm )
                                                      um+1 −2um+1 +um+1
                                                        i,j−1  i,j   i,j+1
                        
                              ∂ y2
                                           ≈                     ∆y 2

   into our PDEs we derive a finite-difference equation.
     um+1 −um           um+1 −2um+1 +um+1            um+1 −2um+1 +um+1
      i ,j    i,j        i−1,j  i,j   i+1,j           i,j−1  i,j   i,j+1
                    =                            +                         + f (umj+1 , vimj+1 ),
           ∆t                  ∆x2                          ∆y 2                 i,       ,
                                                                                                             um+1 vm+1
                                                                                                              i ,j   i,j
    (1 + 4    dt
                 )umj+1   −2    dt
                                   (um+,j1
                                             + ui−11 j + umj+1 + ui,j+11 ) = umj + dt(umj+1 (1 − umj+1 ) +
                                                m+                m
                                                                              i,                                           )
             dx2   i,          dx2   i+1           ,      i, +1      −                 i,         i,           um+1 +h
                                                                                                                 i,j
Ax = b


  If we now number the grid points in ”natural order” we get the
  two equations

                 Aum+1    = um + dtf(um+1 , vm+1 ),
                 Avm+1    = vm + dtg(um+1 , vm+1 )

  in order to avoid updating the matrix at each step we set dt
  sufficiently small and work with:

                   Aum+1    = um + dtf(um , vm ),
                   Avm+1    = vm + dtg(um , vm )
Solving the equations. I
   We now need to solve the systems where
             2      2
   A ∈ R(N+1) ×(N+1) = RM
                                                                    
                    I+H          −2I 0                           0
                    −I         I + H −I                      
                                                             
                                   ..          ..   ..       
               A=
                                        .         .    .     
                                                              
                                   ..          ..   ..       
                                        .         .    .  −I 
                        0                            −2I I + H
                                                                    
                              4          −2       0              0
                            −1           4      −1                
                                                                  
                       dt               ..      ..     ..         
               H=       2
                                           .       .        .     
                    dx 
                                        ..      ..     ..
                                                                   
                                                                   
                                           .       .        .   −1
                                0                       −2       4
Solving the equations. II



       Dense LU factorize one time O(M3 ) and then iterate over t
       solving for u and v. Memory O(M2 ).
       Use a special sparse LU factorization/solver for a
                                     3
       tridiagonal block matrix. O(M 2 ) flops, O(NlogN) memory.
       An iterative method, e.g. Jacobi, GMRES or BiCGSTAB.
       Direct computation, A−1 , then solving for u and v
       amounts to matrix-vector computation.

   Here we decide, mainly due lack of memory, to exploit the
   sparse structure of the matrix in combination with GMRES and
   the ILU to speed up convergence.
The Progam.

      / / read the sparse matrix
      CompCol_Mat_double A;
      readtxtfile_mat ( " matrix . t x t " , &A ) ;

      / / i n i t i a l conditions
      VECTOR_double u , v ;
      readtxtfile_vec ( "u_0 . t x t " , &u ) ;
      readtxtfile_vec ( "v_0 . t x t " , &v ) ;

      MATRIX_double H( r e s t a r t +1, restart , 0 . 0 ) ;
      CompCol_ILUPreconditioner_double M(A ) ; / / ILU precond .

      output (u, 0 , p r e y _ f i l e ) ; output ( v , 0 , p r e d _ f i l e ) ;

      f o r ( t = dt ; t <= t_end && ( ! result_1 && ! result_2 ) ; t += dt ) {

                  F (b1 , u , v , dt ) ; G(b2 , u , v , dt ) ; / / reaction terms + . . .

                  set_gmres_parameters ( maxit , restart , t o l ) ; /
                  result_1 = GMRES(A, u , b1 , M, H, restart , maxit , t o l ) ;

                  set_gmres_parameters ( maxit , restart , t o l ) ;
                  result_2 = GMRES(A, v , b2 , M, H, restart , maxit , t o l ) ;

                  output (u , t , p r e y _ f i l e ) ;               output ( v , t , p r e d _ f i l e ) ;
      }
Questions?
Holling Type II Functional Response.

   The predator spends it time doing on two things.
       Searching for prey
       Prey handling which includes: chasing, killing, eating and
       digesting.
   Holling Type II: ”Search rate is constant. Plateau represents
   predator saturation. Prey mortality declines with prey density.
   Predators of this type cause maximum mortality at low prey
   density. For example, small mammals destroy most of gypsy
   moth pupae in sparse populations of gypsy moth. However in
   high-density defoliating populations, small mammals kill a
   negligible proportion of pupae.”
   -
   http://home.comcast.net/ sharov/PopEcol/lec10/funcresp.htm
”How good is our approximation actually? What
about the rate-of-convergence?”

  Since we cannot solve the problem analytically we must use a
  fine approximate solution (i.e. small ∆t and ∆x2 ) - Ui, jm to
  estimate the rate of convergence.

                       E(∆x, ∆y, ∆t )m = max|um − Um |
                                              i,j  i,j

                          E(∆x,∆y,∆tsmall )m
  Now we compute R∆x,∆y =    ∆x ∆x           and
                                        E(   2
                                                 ,   2
                                                         ,∆tsmall )
           E(∆xsmall ,∆ysmall ,∆t m )
  R ∆t =
            E(∆xsmall ,∆ysmall , ∆t )
                                 2
  Assuming that E ≈ c∆xα , we estimate α by computing
        logR∆x,∆y
  α ≈ log∆x1 /∆x2 .
  I have not done this, but plausible reasoning leads me to
  believe the error is O(∆x2 + ∆t ). (for ∆x = ∆y)
Plankton Dynamics. Motivation.

      Plankton are floating organisms of many different phyla
      living in the pelagic of the sea.
      Together, phyto- and zooplankton form the basis for all
      food chains and webs in the sea.
      The abundance of the plankton species is affected by a
      number of environmental factors.
      Oxygen and carbondioxide, and other substances are
      recycled by phytoplankton,
      They are to a large extent subject to water movements.

  The question investigated by Medvinsky et al. is: Can
  biological factors, such as predator-prey growth and
  interactions, be a cause of plankton pattern formation
  without any hydrodynamic forcing?

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Numerical solution of spatiotemporal predator-prey models

  • 1. Numerical solution of spatiotemporal models from ecology Implementing implicit FDM in C++ Kyrre Wahl Kongsgaard University of Amsterdam http://student.science.uva.nl/∼kyrre/ Introduction to Computational Science project presentation – November 1, 2010
  • 2. Classical models. The classical mass-interaction models for population dynamics ignore the distribution of organisms and variation of the physical environment in space. du dt = au − buv, Lotka-Volterra: dv dt = −cv + fuv. We want to extend these models by including the continuous spatial position, and model the population density.
  • 3. Reaction-Diffusion Systems. A natural approach is to consider reaction-diffusion systems, which are coupled PDE 2 General reaction-diffusion system: ∂t q = D q + R(q) which for a two 2D species predator-prey system reduces to:  ut  = Du ∆u + f (u, v),   v t = Dv ∆v + g(u, v), Predator-Prey with diffusion f (u, v) = P(u) − E(u, v),    g(u, v) = κE(u, v) − µv  where P(u) represents the local growth and natural mortality of the prey, E(u, v) the interaction or predation, µ the mortality rate of the prey and κ the food utilization.
  • 4. Dimensionless form and discretization of the domain. A specific choice for P(u),E(u, v), κ and µ is used to model a Zooplankton-Phytoplankton aquatic community, here in dimensionless form.  uv ut  = ∆u + u(1 − u) − u+ h ,  = ∆v + k uuvh − mv,  v t + Plankton interations:  u · n = 0, (x, y) ∈ ∂Ω,    v · n = 0, (x, y) ∈ ∂Ω  We discretize space Ω = [a, b]2 by choosing a finite number of equally spaced points, (xi , yj ) = (i∆x, j∆y), and time by a countable number of points 0 = t0 , t1 , . . . , where tm = m∆t.
  • 5. Finite-difference scheme. Inserting the approximations for the time and space derivatives  um ≈ u(xi , yj , tm ) = u(i∆x, j∆y, m∆t),  i,j  um+1 −um   ∂ u(xi ,yj ,tm ) ≈ i,j ∆t i,j ,   ∂t 2 um+1j −2um+1 +um+,j1  ∂ u(xi ,yj ,tm ) ≈ i−1, i,j i+1 ,  2 ∂ x2 ∆x 2    ∂ u(xi ,yj ,tm )  um+1 −2um+1 +um+1 i,j−1 i,j i,j+1  ∂ y2 ≈ ∆y 2 into our PDEs we derive a finite-difference equation. um+1 −um um+1 −2um+1 +um+1 um+1 −2um+1 +um+1 i ,j i,j i−1,j i,j i+1,j i,j−1 i,j i,j+1 = + + f (umj+1 , vimj+1 ), ∆t ∆x2 ∆y 2 i, , um+1 vm+1 i ,j i,j (1 + 4 dt )umj+1 −2 dt (um+,j1 + ui−11 j + umj+1 + ui,j+11 ) = umj + dt(umj+1 (1 − umj+1 ) + m+ m i, ) dx2 i, dx2 i+1 , i, +1 − i, i, um+1 +h i,j
  • 6. Ax = b If we now number the grid points in ”natural order” we get the two equations Aum+1 = um + dtf(um+1 , vm+1 ), Avm+1 = vm + dtg(um+1 , vm+1 ) in order to avoid updating the matrix at each step we set dt sufficiently small and work with: Aum+1 = um + dtf(um , vm ), Avm+1 = vm + dtg(um , vm )
  • 7. Solving the equations. I We now need to solve the systems where 2 2 A ∈ R(N+1) ×(N+1) = RM   I+H −2I 0 0  −I I + H −I     .. .. ..  A=  . . .    .. .. ..   . . . −I  0 −2I I + H   4 −2 0 0 −1 4 −1    dt  .. .. ..  H= 2  . . .  dx   .. .. ..    . . . −1 0 −2 4
  • 8. Solving the equations. II Dense LU factorize one time O(M3 ) and then iterate over t solving for u and v. Memory O(M2 ). Use a special sparse LU factorization/solver for a 3 tridiagonal block matrix. O(M 2 ) flops, O(NlogN) memory. An iterative method, e.g. Jacobi, GMRES or BiCGSTAB. Direct computation, A−1 , then solving for u and v amounts to matrix-vector computation. Here we decide, mainly due lack of memory, to exploit the sparse structure of the matrix in combination with GMRES and the ILU to speed up convergence.
  • 9. The Progam. / / read the sparse matrix CompCol_Mat_double A; readtxtfile_mat ( " matrix . t x t " , &A ) ; / / i n i t i a l conditions VECTOR_double u , v ; readtxtfile_vec ( "u_0 . t x t " , &u ) ; readtxtfile_vec ( "v_0 . t x t " , &v ) ; MATRIX_double H( r e s t a r t +1, restart , 0 . 0 ) ; CompCol_ILUPreconditioner_double M(A ) ; / / ILU precond . output (u, 0 , p r e y _ f i l e ) ; output ( v , 0 , p r e d _ f i l e ) ; f o r ( t = dt ; t <= t_end && ( ! result_1 && ! result_2 ) ; t += dt ) { F (b1 , u , v , dt ) ; G(b2 , u , v , dt ) ; / / reaction terms + . . . set_gmres_parameters ( maxit , restart , t o l ) ; / result_1 = GMRES(A, u , b1 , M, H, restart , maxit , t o l ) ; set_gmres_parameters ( maxit , restart , t o l ) ; result_2 = GMRES(A, v , b2 , M, H, restart , maxit , t o l ) ; output (u , t , p r e y _ f i l e ) ; output ( v , t , p r e d _ f i l e ) ; }
  • 11. Holling Type II Functional Response. The predator spends it time doing on two things. Searching for prey Prey handling which includes: chasing, killing, eating and digesting. Holling Type II: ”Search rate is constant. Plateau represents predator saturation. Prey mortality declines with prey density. Predators of this type cause maximum mortality at low prey density. For example, small mammals destroy most of gypsy moth pupae in sparse populations of gypsy moth. However in high-density defoliating populations, small mammals kill a negligible proportion of pupae.” - http://home.comcast.net/ sharov/PopEcol/lec10/funcresp.htm
  • 12. ”How good is our approximation actually? What about the rate-of-convergence?” Since we cannot solve the problem analytically we must use a fine approximate solution (i.e. small ∆t and ∆x2 ) - Ui, jm to estimate the rate of convergence. E(∆x, ∆y, ∆t )m = max|um − Um | i,j i,j E(∆x,∆y,∆tsmall )m Now we compute R∆x,∆y = ∆x ∆x and E( 2 , 2 ,∆tsmall ) E(∆xsmall ,∆ysmall ,∆t m ) R ∆t = E(∆xsmall ,∆ysmall , ∆t ) 2 Assuming that E ≈ c∆xα , we estimate α by computing logR∆x,∆y α ≈ log∆x1 /∆x2 . I have not done this, but plausible reasoning leads me to believe the error is O(∆x2 + ∆t ). (for ∆x = ∆y)
  • 13. Plankton Dynamics. Motivation. Plankton are floating organisms of many different phyla living in the pelagic of the sea. Together, phyto- and zooplankton form the basis for all food chains and webs in the sea. The abundance of the plankton species is affected by a number of environmental factors. Oxygen and carbondioxide, and other substances are recycled by phytoplankton, They are to a large extent subject to water movements. The question investigated by Medvinsky et al. is: Can biological factors, such as predator-prey growth and interactions, be a cause of plankton pattern formation without any hydrodynamic forcing?