The R package polyCub implements cubature (numerical integration) over polygonal domains. It solves the problem of integrating a continuously differentiable function f(x,y) over simple closed polygons.
For the special case of a rectangular domain along the axes, the
package cubature
is more appropriate (cf. CRAN Task View: Numerical Mathematics
).
The integration domain is described by a polygonal boundary (or multiple polygons, including holes). Various R packages for spatial data analysis provide classes for polygons. The implementations differ in vertex order (which direction represents a hole) and if the first vertex is repeated.
All of polyCub’s cubature methods understand
"owin"
from package spatstat.geom,
"SpatialPolygons"
from package sp,
and
"(MULTI)POLYGON"
from package sf.
Internally, polyCub uses its auxiliary
xylist()
function to extract a plain list of lists of
vertex coordinates from these classes, such that vertices are ordered
anticlockwise (for exterior boundaries) and the first vertex is not
repeated (i.e., the "owin"
convention).
The following cubature methods are implemented in polyCub:
polyCub.SV()
: Product Gauss cubature
polyCub.midpoint()
: Two-dimensional midpoint
rule
polyCub.iso()
: Adaptive cubature for radially
symmetric functions \(f(x,y) =
f_r(\lVert(x-x_0,y-y_0)\rVert)\)
polyCub.exact.Gauss()
: Accurate (but slow)
integration of the bivariate Gaussian density
The following section details and illustrates the different cubature methods.
library("polyCub")
We consider the integration of a function f(x,y) which all of the above cubature methods can handle: an isotropic zero-mean Gaussian density. polyCub expects the integrand f to take a two-column coordinate matrix as its first argument (as opposed to separate arguments for the x and y coordinates), so:
<- function (s, sigma = 5)
f
{exp(-rowSums(s^2)/2/sigma^2) / (2*pi*sigma^2)
}
We use a simple hexagon as polygonal integration domain, here
specified via an "xylist"
of vertex coordinates:
<- list(
hexagon list(x = c(7.33, 7.33, 3, -1.33, -1.33, 3),
y = c(-0.5, 4.5, 7, 4.5, -0.5, -3))
)
An image of the function and the integration domain can be produced using polyCub’s rudimentary (but convenient) plotting utility:
plotpolyf(hexagon, f, xlim = c(-8,8), ylim = c(-8,8))
polyCub.SV()
The polyCub package provides an R-interfaced C-translation of “polygauss: Matlab code for Gauss-like cubature over polygons” (Sommariva and Vianello, 2013, https://www.math.unipd.it/~alvise/software.html), an algorithm described in Sommariva and Vianello (2007, BIT Numerical Mathematics, https://doi.org/10.1007/s10543-007-0131-2). The cubature rule is based on Green’s integration formula and incorporates appropriately transformed weights and nodes of one-dimensional Gauss-Legendre quadrature in both dimensions, thus the name “product Gauss cubature”. It is exact for all bivariate polynomials if the number of cubature nodes is sufficiently large (depending on the degree of the polynomial).
For the above example, a reasonable approximation is already obtained
with degree nGQ = 3
of the one-dimensional Gauss-Legendre
quadrature:
polyCub.SV(hexagon, f, nGQ = 3, plot = TRUE)
#> [1] 0.2741456
The involved nodes (displayed in the figure above) and weights can be
extracted by calling polyCub.SV()
with
f = NULL
, e.g., to determine the number of nodes:
nrow(polyCub.SV(hexagon, f = NULL, nGQ = 3)[[1]]$nodes)
#> [1] 72
For illustration, we create a variant of polyCub.SV()
,
which returns the number of function evaluations as an attribute:
<- function (polyregion, f, ..., nGQ = 20) {
polyCub.SVn <- polyCub.SV(polyregion, f = NULL, ..., nGQ = nGQ)
nw ## nw is a list with one element per polygon of 'polyregion'
<- sapply(nw, function (x)
res c(result = sum(x$weights * f(x$nodes, ...)), nEval = nrow(x$nodes)))
structure(sum(res["result",]), nEval = sum(res["nEval",]))
}polyCub.SVn(hexagon, f, nGQ = 3)
#> [1] 0.2741456
#> attr(,"nEval")
#> [1] 72
We can use this function to investigate how the accuracy of the
approximation depends on the degree nGQ
and the associated
number of cubature nodes:
for (nGQ in c(1:5, 10, 20)) {
<- polyCub.SVn(hexagon, f, nGQ = nGQ)
result cat(sprintf("nGQ = %2i: %.12f (n=%i)\n", nGQ, result, attr(result, "nEval")))
}#> nGQ = 1: 0.285265369245 (n=12)
#> nGQ = 2: 0.274027610314 (n=36)
#> nGQ = 3: 0.274145638288 (n=72)
#> nGQ = 4: 0.274144768964 (n=120)
#> nGQ = 5: 0.274144773834 (n=180)
#> nGQ = 10: 0.274144773813 (n=660)
#> nGQ = 20: 0.274144773813 (n=2520)
polyCub.midpoint()
The two-dimensional midpoint rule in polyCub is a
simple wrapper around as.im.function()
and
integral.im()
from package spatstat.geom.
In other words, the polygon is represented by a binary pixel image and
the integral is approximated as the sum of (pixel area * f(pixel
midpoint)) over all pixels whose midpoint is part of the polygon.
To use polyCub.midpoint()
, we need to convert our
polygon to spatstat.geom’s “owin” class:
library("spatstat.geom")
<- owin(poly = hexagon) hexagon.owin
Using a pixel size of eps = 0.5
(here yielding 270
pixels), we obtain:
polyCub.midpoint(hexagon.owin, f, eps = 0.5, plot = TRUE)
#> [1] 0.2736067
polyCub.iso()
A radially symmetric function can be expressed in terms of the
distance r from its point of symmetry: f(r). If the antiderivative of r
times f(r), called intrfr()
, is analytically available,
Green’s theorem leads us to a cubature rule which only needs
one-dimensional numerical integration. More specifically,
intrfr()
will be integrate()
d along the edges
of the polygon. The mathematical details are given in Meyer and Held
(2014, The Annals of Applied Statistics, https://doi.org/10.1214/14-AOAS743, Supplement B,
Section 2.4).
For the bivariate Gaussian density f
defined above, the
integral from 0 to R of r*f(r)
is analytically available
as:
<- function (R, sigma = 5)
intrfr
{1 - exp(-R^2/2/sigma^2))/2/pi
( }
With this information, we can apply the cubature rule as follows:
polyCub.iso(hexagon, intrfr = intrfr, center = c(0,0))
#> [1] 0.2741448
#> attr(,"abs.error")
#> [1] 3.043618e-15
Note that we do not even need the original function
f
.
If intrfr()
is missing, it can be approximated
numerically using integrate()
for r*f(r)
as
well, but the overall integration will then be much less efficient than
product Gauss cubature.
Package polyCub exposes a C-version of
polyCub.iso()
for use by other R packages (notably surveillance)
via LinkingTo: polyCub
and
#include <polyCubAPI.h>
. This requires the
intrfr()
function to be implemented in C as well. See https://github.com/bastistician/polyCub/blob/master/tests/polyiso_powerlaw.c
for an example.
polyCub.exact.Gauss()
Abramowitz and Stegun (1972, Section 26.9, Example 9) offer a formula
for the integral of the bivariate Gaussian density over a triangle with
one vertex at the origin. This formula can be used after triangulation
of the polygonal domain (polyCub currently uses
tristrip()
from the gpclib
package). The core of the formula is an integral of the bivariate
Gaussian density with zero mean, unit variance and some correlation over
an infinite rectangle [h, Inf] x [0, Inf], which can be computed
accurately using pmvnorm()
from the mvtnorm
package.
For the above example, we obtain:
polyCub.exact.Gauss(hexagon.owin, mean = c(0,0), Sigma = 5^2*diag(2))
#> [1] 0.2741448
#> attr(,"nEval")
#> [1] 48
#> attr(,"error")
#> [1] 4.6e-14
The required triangulation as well as the numerous calls of
pmvnorm()
make this integration algorithm quiet cumbersome.
For large-scale integration tasks, it is thus advisable to resort to the
general-purpose product Gauss cubature rule
polyCub.SV()
.
Note: polyCub provides an auxiliary function
circleCub.Gauss()
to calculate the integral of an
isotropic Gaussian density over a circular domain
(which requires nothing more than a single call of
pchisq()
).
We use the last result from polyCub.exact.Gauss()
as a
reference value and tune the number of cubature nodes in
polyCub.SV()
and polyCub.midpoint()
until the
absolute error is below 10^-8. This leads to nGQ = 4
for
product Gauss cubature and a 1200 x 1200 pixel image for the midpoint
rule. For polyCub.iso()
, we keep the default tolerance
levels of integrate()
. For comparison, we also run
polyCub.iso()
without the analytically derived
intrfr
function, which leads to a
double-integrate
approximation.
The median runtimes [ms] of the different cubature methods are given below.
<- microbenchmark::microbenchmark(
benchmark SV = polyCub.SV(hexagon.owin, f, nGQ = 4),
midpoint = polyCub.midpoint(hexagon.owin, f, dimyx = 1200),
iso = polyCub.iso(hexagon.owin, intrfr = intrfr, center = c(0,0)),
iso_double_approx = polyCub.iso(hexagon.owin, f, center = c(0,0)),
exact = polyCub.exact.Gauss(hexagon.owin, mean = c(0,0), Sigma = 5^2*diag(2)),
times = 9,
check = function (values) all(abs(unlist(values) - 0.274144773813434) < 1e-8))
summary(benchmark, unit = "ms")[c("expr", "median")]
expr | median |
---|---|
SV | 0.08 |
midpoint | 176.15 |
iso | 0.27 |
iso_double_approx | 3.89 |
exact | 6.73 |
The general-purpose SV-method is the clear winner of this small
competition. A disadvantage of that method is that the number of
cubature nodes needs to be tuned manually. This also holds for the
midpoint rule, which is by far the slowest option. In contrast, the
“iso”-method for radially symmetric functions is based on R’s
integrate()
function, which implements automatic tolerance
levels. Furthermore, the “iso”-method can also be used with “spiky”
integrands, such as a heavy-tailed power-law kernel \(f(r) = (r+1)^{-2}\).