Writing Fast Matlab Code #9:Numerical Integration

November 29, 2009 by Pascal Getreuer · Leave a Comment
Filed under: Code Optimization, Tutorials 
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Writing Fast Matlab code

Quadrature formulas  are numerical  approximation of integrals  of the form

FastMatlabcode9_1

where the xk   are called the nodes or abscissas  and wk  are the associated  weights. Simpson’s rule is

FastMatlabcode9_2

Simpson’s rule is a quadrature formula  with nodes a, a + h, b and node weights  h/3,4/3h, h/3 .

Matlab has several functions  for quadrature in one dimension:

quad adaptive Simpson Better  for low accuracy  and nonsmooth integrands
quadl adaptive Gauss-Lobatto Higher accuracy  with smoother  integrands
quadgk adaptive Gauss-Kronrod Oscillatory  integrands and high accuracy
quadv adaptive Simpson Vectorized  for multi-valued integrands

The  quad- functions  are robust  and  precise,  however,  they  are  not  very efficient.  They  use an adaptive  refinement  procedure,  and  while this  reduces  the  number  of function  calls, they  gain  little  from vectorization and incur significant overhead.

If an application requires approximating an integral  whose integrand can be efficiently vectorized,  using nonadaptive quadrature may improve speed.

for n  =  −20:20     %   Compute  Fourier series coefficients
 
c(n +  21) =  quad(@(x)(exp(sin(x)6).*exp(1i*x*n)),0,pi,1e−4);
 
end

This  code runs  in 5.16 seconds.  In place of quad, using Simpson’s composite  rule with N = 199 nodes yields results  with comparable  accuracy  and allows for vectorized  computation. Since the integrals  are all over the same interval, the nodes and weights only need to be constructed once.

N  =  199;   h  =  pi/(N−1);
 
x  =  (0:h:pi).';                                                                                                         %   Nodes
 
w  =  ones(1,N);   w(2:2:N−1)  =  4;   w(3:2:N−2)  =  2;   w  =  w*h/3;                      %   Weights
 
for n  =  −20:20
 
c(n +  21) =  w  *  ( exp(sin(x)6).*exp(1i*x*n)  );
 
end

This  version of the  code runs  in 0.02 seconds (200 times  faster).   The  quadrature is performed  by the dot  product multiplication with  w.  It  can  be further  optimized  by  replacing  the  for loop with  one vector-matrix multiply:

[n,x] =  meshgrid(20:20,  0:h:pi);
 
c =  w  *  ( exp(sin(x)6).*exp(1i*x.*n)  );

For this example,  quadv can be used on a multi-valued integrand with similar accuracy  and speed,

n  =  −20:20;

c =  quadv(@(x)exp(sin(x).ˆ6).*exp(−1i.*x.*n),0,pi,1e−4);

9.1     One-Dimensional Integration

FastMatlabcode9_3is approximated by composite  Simpson’s rule with

h  =  (b − a)/(N−1);
 
x  =  (a:h:b).';
 
w  =  ones(1,N);   w(2:2:N−1)  =  4;   w(3:2:N−2)  =  2;   w  =  w*h/3; I =  w  *  f(x);          %   Approximately evaluate the integral

where N is an odd integer  specifying the number  of nodes.

A good higher-order  choice is 4th-order  Gauss-Lobatto [4] (as used by quadl), based on

FastMatlabcode9_4

N  =  max(3*round((N−1)/3),3)  +  1;   %   Adjust N  to the closest  valid choice h  =  (b − a)/(N−1);
 
d  =  (3/sqrt(5)1)*h/2;
 
x  =  (a:h:b).';  x(2:3:N−2)  =  x(2:3:N−2)  − d;   x(3:3:N−1)  =  x(3:3:N−1)  +  d;
 
w  =  ones(1,N);   w(4:3:N−3)  =  2;   w([2:3:N−2,3:3:N−1])  =  5;   w  =  w*h/4; I =  w  *  f(x);     %   Approximately evaluate the integral

The  number  of nodes  N must  be such  that (N − 1)/3  is an  integer.   If not,  the  first  line adjusts  N to the  closest  valid  choice.   It  is usually  more  accurate  than  Simpson’s  rule  when  f has  six continuous derivatives, f ∈ C 6 (a, b).

A disadvantage of this  nonadaptive approach is that the  accuracy  of the  result  is only indirectly  con- trolled  by the  parameter N. To guarantee a desired  accuracy,  either  use a generously  large value for N or, if possible, determine the error bounds  [6,7].

FastMatlabcode9_7

where h = (b-a)/(N-1). Note that these bounds are valid only when the integrand is sufficiently differentiable:  f N −1 , must have four continuous  derivatives for the Simpson’s rule error bound, and six continuous  derivatives for 4th-order  Gauss-Lobatto.

Composite  Simpson’s rule is a fast and  effective default  choice.  But depending  on the situation, other methods  may be faster  and more accurate:

  • If the  integrand is expensive  to  evaluate, or if high  accuracy  is required  and  the  error  bounds above are too difficult to compute,  use one of Matlab’s adaptive methods.   Otherwise,  consider composite  methods.
  • Use higher-order  methods  (like Gauss-Lobatto/quadl) for very smooth integrands and lower-order methods  for less smooth  integrands.
  • Use the substitution u =  1/(1-x) or Gauss-Laguerre quadrature for infinite-domain integrals  like f ∞.

9.2     Multidimensional Integration

An approach for evaluating double integrals  of the form \int_{c}^{d}\int_{b}^{a} f(x,y)\\ dxdy is to apply  one-dimensional quadrature to the  outer  integral  \int_{b}^{a}F(x)\ dx and  then  for each x use one-dimensional  quadrature over the inner dimension  to approximate F(x)=\int_{d}^{c}F(x,y)\ dy. The following code does this with composite Simpson’s rule with Nx×Ny nodes:

%%%   Construct  Simpson nodes and weights  over x  %%%
 
h  =  (b − a)/(Nx−1);
 
x  =  (a:h:b).';
 
wx  =  ones(1,Nx);   wx(2:2:Nx−1)  =  4;   wx(3:2:Nx−2)  =  2;   wx  =  w*h/3;
 
%%%   Construct  Simpson nodes and weights  over y  %%%
 
h  =  (d − c)/(Ny−1);
 
y  =  (c:h:d).';
 
wy  =  ones(1,Ny);   wy(2:2:Ny−1)  =  4;   wy(3:2:Ny−2)  =  2;   wy  =  w*h/3;
 
%%%   Combine  for  two−dimensional integration %%% [x,y] =  meshgrid(x,y);   x  =  x(:);  y  =  y(:);
 
w  =  wy.'*wx;   w  =  w(:).';
 
I =  w  *  f(x,y);           %   Approximately evaluate the integral

Similarly for three-dimensional integrals,  the weights are combined  with

[x,y,z] =  meshgrid(x,y,z);   x  =  x(:);  y  =  y(:);   z =  z(:);
 
w  =  wy.'*wx;   w  =  w(:)*wz;   w  =  w(:).';

When  the  integration region is complicated  or of high dimension,  Monte  Carlo  integration techniques are  appropriate.   The  disadvantage is  that an  N -point  Monte  Carlo  quadrature has  error  on  the order  O(1/sqrt(n)),  so many  points  are  necessary  even  for  moderate  accuracy.    Suppose  that N  points,x1 , x2 , . . . , xN , are uniformly  randomly  selected in a multidimensional region (or volume)  Ω. Then

FastMatlabcode9_8

To integrate a complicated  region W that is difficult to sample uniformly,  find an easier region Ω that contains  W and can be sampled  [5]. Then

FastMatlabcode9_9

χW (x) is the indicator function of W : χW (x) = 1 when x is within region W and χW (x) = 0 otherwise. Multiplying  the integrand by χW  sets contributions from outside  of W to zero.

FastMatlabcode9_10

%%%   Uniformly randomly sample points  (x,y)  in Ω  %%%
 
x  =  4*rand(N,1)2;
 
y  =  4*rand(N,1)2;
 
%%%   Restrict  the points to region W  %%%
 
i =  (cos(2*sqrt(x.ˆ2  +  y.ˆ2)).*x  <= y  &   x.ˆ2 +  y.ˆ2 <= 4);
 
x  =  x(i);  y  =  y(i);
 
%%%   Approximately evaluate the integrals  %%% area =  4*4;              %   The   area of rectangle Ω M   =  (area/N) *  length(x);
 
Mx =  (area/N) *  sum(x);
 
My =  (area/N) *  sum(y);

FastMatlabcode9_11

Region  W  sampled  with N  = 1500. The  center of mass  is ≈ (0.5, 0.7).

More generally,  if W is a two-dimensional region contained in the  rectangle  defined by a ≤ x ≤ b and

c ≤ y ≤ d, the following code approximates \int_{W}f\ dA:

x  =  a +  (b−a)*rand(N,1);
 
y  =  c +  (d−c)*rand(N,1);
 
i =  logical(indicatorW(x,y));
 
x  =  x(i);  y  =  y(i);
 
area =  (b−a)*(d−c);
 
I =  (area/N) *  sum(f(x,y));                   %   Approximately evaluate the integral

where indicatorW(x,y) is the indicator function  χW (x, y) for region W .

For refinements  and variations of Monte Carlo integration, see for example  [1].

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