24
Numerical Integration over the Unit Sphere by using spherical t-design * Congpei An 1 , Siyong Chen 1 1 Department of Mathematics, Jinan Universtiy, Guangzhou 510632, China E-mail: [email protected], [email protected] Abstract This paper studies numerical integration over the unit sphere S 2 R 3 by using spherical t-design, which is an equal positive weights quadra- ture rule with polynomial precision t. We investigate two kinds of spher- ical t-designs with t up to 160. One is well conditioned spherical t- designs(WSTD), which was proposed by [1] with N =(t+1) 2 . The other is efficient spherical t-design(ESTD), given by Womersley [2], which is made of roughly of half cardinality of WSTD. Consequently, a series of persua- sive numerical evidences indicates that WSTD is better than ESTD in the sense of worst-case error in Sobolev space H s (S 2 ). Furthermore, WSTD is employed to approximate integrals of various of functions, especially in- cluding integrand has a point singularity over the unit sphere and a given ellipsoid. In particular, to deal with singularity of integrand, Atkinson’s transformation [3] and Sidi’s transformation [4] are implemented with the choices of ‘grading parameters’ to obtain new integrand which is much smoother. Finally, the paper presents numerical results on uniform errors for approximating representive integrals over sphere with three quadrature rules: Bivariate trapezoidal rule, Equal area points and WSTD. Keywords: Numerical integration, Spherical t-designs, Singular integral 1 Introduction We consider numerical integration over the unit sphere S 2 := n x =[x, y, z] T R 3 | x 2 + y 2 + z 2 =1 o R 3 . The exact integral of an integrable function f defined on S 2 is I (f ) := Z S 2 f (x) (x), (1.1) * This work was supported by National Natural Science Foundation of China [grant number 11301222]. 1 arXiv:1611.02785v1 [math.NA] 9 Nov 2016

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Page 1: Numerical Integration over the Unit Sphere by using ... · PDF fileNumerical Integration over the Unit Sphere by using spherical t-design Congpei An 1, Siyong Chen 1Department of Mathematics,

Numerical Integration over the Unit Sphere by

using spherical t-design∗

Congpei An1, Siyong Chen1

1Department of Mathematics, Jinan Universtiy,

Guangzhou 510632, China

E-mail: [email protected], [email protected]

AbstractThis paper studies numerical integration over the unit sphere S2 ⊂ R3

by using spherical t-design, which is an equal positive weights quadra-ture rule with polynomial precision t. We investigate two kinds of spher-ical t-designs with t up to 160. One is well conditioned spherical t-designs(WSTD), which was proposed by [1] withN = (t+1)2. The other isefficient spherical t-design(ESTD), given by Womersley [2], which is madeof roughly of half cardinality of WSTD. Consequently, a series of persua-sive numerical evidences indicates that WSTD is better than ESTD in thesense of worst-case error in Sobolev space Hs(S2). Furthermore, WSTD isemployed to approximate integrals of various of functions, especially in-cluding integrand has a point singularity over the unit sphere and a givenellipsoid. In particular, to deal with singularity of integrand, Atkinson’stransformation [3] and Sidi’s transformation [4] are implemented with thechoices of ‘grading parameters’ to obtain new integrand which is muchsmoother. Finally, the paper presents numerical results on uniform errorsfor approximating representive integrals over sphere with three quadraturerules: Bivariate trapezoidal rule, Equal area points and WSTD.Keywords: Numerical integration, Spherical t-designs, Singular integral

1 Introduction

We consider numerical integration over the unit sphere

S2 :=

x = [x, y, z]T ∈ R3 |x2 + y2 + z2 = 1⊂ R3.

The exact integral of an integrable function f defined on S2 is

I(f) :=

∫S2f(x) dω(x), (1.1)

∗This work was supported by National Natural Science Foundation of China [grant number11301222].

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where dω(x) denotes the surface measure on S2. The aim of this paper isapproximate I(f) by positive weight quadrature rules of the form

QN (f) :=

N∑j=1

ωjf(xj), (1.2)

where xj ∈ S2, 0 < ωj ∈ R, j = 1, . . . , N .As shown in literature [1, 5, 6, 7, 8] on numerical integration over

sphere, there are many point sets can be used as quadrature rules. It ismerit to consider Quasi Monte Carlo(QMC) rules, or equal weight numer-ical integration, for functions in a Sobolev space Hs(S2), with smoothnessparameter s > 1. In particular, [5] provides an emulation of sphericalt-designs, named sequence of QMC designs.

As is known, for numerical integration, sequences of spherical t-designenjoy the property that it convergent very fast in Sobolev spaces [9]. Inthis paper we focus our interest on approximating integrals with the aidof spherical t-designs. The concept of spherical t-design was introducedby Delsarte, Goethals and Seidel in 1977 [10], as following:

Definition 1.1. A point set XN = x1, . . . , xN ⊂ S2 is called a sphericalt-design if an equal weight quadrature rule with node set XN is exact forall polynomials p with degree no more than t, i.e.

1

N

N∑j=1

p(xj) =1

∫S2p(x) dω(x) ∀p ∈ Pt, (1.3)

where Pt is the linear space of restrictions of polynomials of degree at mostt in 3 variables to S2.

In past decades, spherical t-design has been studied extensively [1, 11, 12,13, 14, 15]. The existence of spherical t-design for all t only for sufficientlylarge N was shown in [16]. However, when t is given, the smallest numberof N to construct a spherical t-design is still to be fixed. Bondarenko,Radchenko and Viazovska [12] claimed that there always exist a sphericalt-design for N ≥ ct2, but c is an unknown constant. In practice, one mighthave to construct spherical t-designs by assist of numerical computation,when t is large. To the best of our knowledge, there are many numericalmethods for constructing spherical t-designs. For detail, we refer [2, 8, 13,17]. However, it is not easy to overcome rounding errors in computation.Therefore, reliable numerical spherical t-design is cherished in numericalconstruction.

[13] and [14] verified spherical t-design exist in a small neighbourhoodof extremal system on S2. It is worth noting that well conditioned sphericalt-designs(WSTD) are not only have good geometry but also good fornumerical integration with N = (t + 1)2, that is the dimension of thelinear space Pt. In [1], WSTD are constructed just up to 60. In presentpaper we can use WSTD for t up to 160 with N = (t + 1)2, from a veryrecently work [17]. Moreover, Womersley introduced efficient spherical t-design(ESTD), which are consist of N ≈ 1

2t2 points [2]. Both WSTD and

ESTD are applied to approximate the integral of a well known smoothfunction – Franke function. High attenuation to absolute error [1, 2, 5],

2

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excellent performance enhance the attractiveness of spherical t-designs.Inspired by [5, 9], it is natural to compare the worst-case error for thesetwo spherical t-designs for t up to 160. Consequently, we will employthe lower worst-case error spherical t-design (actually it is WSTD) toapproximate the integral of various of functions: smooth function, C0

function, near-singular function, singular function over S2 and ellipsoid.In sequel, we provide necessary background and terminology for spher-

ical polynomial, spherical t-design. Section 3 introduces the concept ofworst-case errors of positive weight quadratures rules on S2. Immedi-ately, a series of numerical experiments indicates that WSTD has lowerworst-case error than ESTD. Consequently, we use WSTD to evaluatethe numerical integration of several kinds of test functions in below. Sec-tion 4 focus on how to deal with point singularity of integrands, weapply the variable transformations raised by Atkinson [3] and Sidi [4] toobtain new smoother integrands, respectively. In Section 5 , we investi-gate three quadrature nodes: Bivariate trapezoidal rule, Equal area pointsand WSTD. The geometry of these quadrature nodes is compared. Wealso demonstrate numerical results on uniform errors for approximatingintegrals of a set of test functions, by using these three quadrature nodes.

2 Background

Let L2 := L2(S2) be the space of square-integrable measurable functionsover S2. The Hilbert space L2 is endow with the inner product

〈f, g〉L2:=

∫S2f(x) g(x) dω(x), f, g ∈ L2.

And the induced norm is

‖f‖L2:=

(∫S2|f(x)|2 dω(x)

) 12

, f ∈ L2.

It is natural to choose real spherical harmonics [18]

Y`,k : 1 ≤ k ≤ 2`+ 1, 0 ≤ ` ≤ t ,

as an orthonormal basic for Pt. Noting that the normalisation is such thatY0,1 = 1/

√4π. Then

Pt = spanY`,k : ` = 0, . . . , t, k = 1, . . . , 2`+ 1,

and then the dimension of Pt is dt := dim(Pt) =∑t`=0(2`+ 1) = (t+ 1)2.

For t ≥ 1, let the spherical harmonic matrix Yt be denoted by

Yt(XN ) := [Y`,k(xj)], k = 0, . . . , 2`+ 1, ` = 1, . . . , t; j = 1, . . . , N.

It is very important to note the addition theorem of spherical harmonics[19]

2`+1∑k=1

Y`,k(x)Y`,k(y) =2`+ 1

4πP`(x · y) ∀ x, y ∈ S2, (2.4)

where x·y denotes the usual Euclidean inner product of x and y in R3, andP` is the normalized Legendre polynomial of degree `. For applications ofthe addition theorem (2.4) , we refer to [19].

3

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2.1 Spherical t-designs

In [10], lower bounds of even and odd t, for the number of nodes N toconsist a spherical t-design are established as following:

N(t) ≥

(t+1)(t+3)

4, t is odd,

(t+2)2

4, t is even.

(2.5)

Spherical t-designs achieved this bound (2.5) are called tight. However,Bannai and Damerell [20, 21] proved tight spherical t-design only existsfor t = 1, 2, 3, 5 on S2. For practical computation, we have to constructspherical t-design with large t. There is a survey paper on spherical t-designs given by Bannai and Bannai [11]. Interval methods are appliedto construct reliable computational spherical t-designs with rigorous proof[1, 13, 14]. In this paper, we are considering two kinds of spherical t-designas follows:

2.1.1 Well condition spherical t-designs

[1] extends the work of [8] for the case N = (t + 1)2 by including aconstraint that the set of points XN is a spherical t-design, as suggestedin [14], to extremal spherical t-design which is a spherical t-design forwhich the determinant of a Gram matrix, or equivalently the product ofthe singular values of a basis matrix, is maximized. This can be writtenas the following optimization problem:

maxXN⊂S2

log det(Gt(XN ))

s.t. Ct(XN ) = EGt(XN )e = 0,(2.6)

wheree := [1, . . . , 1]T ∈ RN ,

E := [e,−IN−1] ∈ R(N−1)×N ,

Gt(XN ) := Yt(XN )TYt(XN ) ∈ RN×N .After solving (2.6) by nonlinear optimization methods, the interval anal-ysis provides a series of narrow intervals, which contain computationalspherical t-design and a true spherical t-design. Consequently, the midpoint of these intervals are determinated as well conditioned sphericalt-design, for detail, see [1].

Following the methods in [1], we use extremal systems [8] which max-imize the determinant without any additional constraints as the startingpoints to solve this problems (2.6) . We also use interval methods, whichmemory usage is optimized, to prove that close to the computed extremalspherical t-design there are exact spherical t-design. Finally, we obtainwell conditioned spherical t-design with degree up to 160. For detail, werefer to another paper on construct well conditioned spherical t-design fort up to 160, see [17].

4

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2.1.2 Efficient spherical t-designs

In [22], Womersley introduced efficient spherical t-designs with roughly12t2 points. The point number is close to the number in a conjecture by

Hardin and Sloane that N = 12t2 +o(t2) [23]. The author used Levenberg-

Marquardt method to solve the following problem

minXN⊂S2

AN,t(XN ) =4π

N2

t∑`=1

2`+1∑k=1

(N∑j=1

Y`,k(xj)

)2

. (2.7)

This point sets can be download at http://web.maths.unsw.edu.au/

~rsw/Sphere/EffSphDes/index.html.

3 Worst-case error of spherical t-designs

This section considers the worst-case error for numerical integration overS2 [5] [9]. In this section we follow notations and definitions from [5]. TheSobolev space, denoted by Hs := Hs(S2), can be defined for s ≥ 0 as theset of all functions f ∈ L2 with Laplace-Fourier coefficients

f`,k := 〈f, Y`,k〉L2=

∫S2f(x)Y`,k(x) dω(x),

satisfying∞∑`=0

2`+1∑k=1

(1 + λ`)s∣∣∣f`,k∣∣∣2 <∞,

where λ` := `(` + 1). Obviously, by letting s = 0, then H0 = L2. Thenorm of Hs can be defined as

‖f‖Hs =

[∞∑`=0

2`+1∑k=1

1

a(s)`

f2`,k

] 12

,

where the sequence of positive parameters α(s)` satisfies a

(s)` ∼ (1+λ`)

−s ∼(`+ 1)−2s.

The worst-case error of the spherical t-design XN on Hs can be definedas

wce(Q[XN ]) := sup|Q[XN ](f)− I(f)|

∣∣ f ∈ Hs, ‖f‖Hs ≤ 1, (3.8)

where Q[XN ](f) := 4πN

∑Nj=1 f(xj).

Before introducing the formula of worst-case error, we show the signedpower of the distance, with sign (−1)L+1 with L := L(s) := bs− 1c, thathas the following Laplace-Fourier expansion [19]: for x, y ∈ S2,

(−1)L+1 |x− y|2s−2 = (−1)L+1V2−2s(S2) +

∞∑`=1

α(s)` Z(2, `)P`(x · y),

where P` is the normalized Legendre polynomial,

V2−2s(S2) =

∫S2

∫S2|x− y|2s−2 dω(x)dω(y) = 22s−1 Γ(3/2)Γ(s)√

πΓ(1 + s)=

22s−2

s,

5

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α(s)` := V2−2s(S2)

(−1)L+1(1− s)`(1 + s)`

= V2−2s(S2)(−1)L+1Γ(1− s+ `)Γ(1 + s)

Γ(1 + s+ `)Γ(1− s) ,

Z(2, `) = (2`+ 2− 1)Γ(`+ 2− 1)

Γ(2)Γ(`+ 1)= 2`+ 1.

From [5], we know that worst-case error is divided into two cases:

Case I For 1 < s < 2 and L = 0, the worst-case error is given by

wce(Q[XN ]) =

(V2−2s(S2)− 1

N2

N∑j=1

N∑i=1

|xj − xi|2s−2

) 12

. (3.9)

Case II For s > 2 and L satify L := L(s) = bs− 1c, the worst-case error isgiven by

wce(Q[XN ]) =

(1

N2

N∑j=1

N∑i=1

[QL(xj · xi) + (−1)L+1 |xj − xi|2s−2

]

−(−1)L+1V2−2s(S2)

) 12

,

(3.10)where

QL(xj · xi) =

L∑`=1

((−1)L+1−` − 1

)α(s)` Z(2, `)P`(xj · xi).

3.1 Numerical experiments on worst-case error

By using the definition of worst-case error, we calculate and compareworst-case error of two spherical t-designs: well condition spherical t-design[1] and efficient spherical t-design[22]. Figure 1 gives, whens = 1.5, 2.5, 3.5 and 4.5, worst-case error for WSTD and ESTD [22].Worst-case error for WSTD is smaller which means that it has a betterperformance in numerical integration when the precision t of two pointsets are the same.

3.2 Conjecture on worst-case error of sphericalt-design

From the above interesting numerical experiments, we propose a reason-able conjecture as following:

Conjecture 1. Let wce(Q[XN ]) be worst-case error of the spherical t-design(see (3.8) ). Then when N increases, wce(Q[XN ]) decreases. Thatis to say:

wce(Q[XN′ ]) ≤ wce(Q[XN ]), N ′ > N for fixed t.

6

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0 20 40 60 80 100 120 140 160

t

10-4

10-3

10-2

10-1

100

101

Wors

t-case e

rror

WSTD

0.62 t-1.42

ESTD

0.32 t-1.49

(a) s = 1.5

0 20 40 60 80 100 120 140 160

t

10-6

10-5

10-4

10-3

10-2

10-1

100

101

Wors

t-case e

rror

WSTD

0.62 t-2.36

ESTD

0.81 t-2.46

(b) s = 2.5

Figure 1: Worst-case error of two point sets

7

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0 20 40 60 80 100 120 140 160

t

10-8

10-6

10-4

10-2

100

102

Wors

t-case e

rror

WSTD

1.55 t-3.34

ESTD

2.06 t-3.45

(c) s = 3.5

0 20 40 60 80 100 120 140 160

t

10-10

10-8

10-6

10-4

10-2

100

102

Wo

rst-

ca

se

err

or

WSTD

3.29 t-4.10

ESTD

3.69 t-4.44

(d) s = 4.5

Figure 1: Worst-case error of two point sets

8

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4 Transformations for singular functionson S2

In this section, we consider two variable transformations for the approxi-mation of spherical integral I(f) in which f(x) is singular at a point x0.Examples are the single layer integral∫

S2

g(x)

|x− x0|dω(x)

and the double layer integral∫S2

g(x) |(x− x0) · nx||x− x0|3

dω(x),

where g(x) is smooth function, nx is the outward normal to S2 at x, and(x − x0) · nx is the dot product of two vectors (x − x0) and nx. From[4], we know the double-layer integral is simply 1/2 times the single-layerintegral over S2. So it is enough to treat the single-layer case. In thiscase of that integrand is a singular function, we use a variable transfor-mation, such as Atkinson’s transformation [3] and Sidi’s transformation[4], rather than approximating this integral directly. In the following, weintroduce two variable transformations : Atkinson’s transformation andSidi’s transformation.

4.1 Atkinson’s transformation T1We consider the transformation T1 : S2 1−1−−−→

ontoS2 introduced by Atkinson

[3]. We show x ∈ S2 by standard spherical coordinates with θ (polar angle,0 ≤ θ < π) and φ (azimuth angle, 0 ≤ θ < 2π). Define the transformation:

T1 : x = (cosφ sin θ, sinφ sin θ, cos θ)T 7→ x =(cosφ sinq θ, sinφ sinq θ, cos θ)T√

cos2 θ + sin2q θ.

In this transformation, q ≥ 1 is a ‘grading parameter’. Then north andsouth poles of S2 remain fixed, while the region around them is distortedby the mapping. Then the integral I(f) becomes

I(f) =

∫S2f(T1(x))JT1(x) dω(x),

with JT1(x) the Jacobian of the mapping T1,

JT1(x) =sin2q−1 θ(q cos2 θ + sin2 θ)

(sin2q θ + cos2 θ)32

, q ≥ 1.

As shown in [3, 24, 25], for smooth integrand, when 2q is an odd integer,trapezoidal rule enjoys a fast convergence. Consequently, in the followingnumerical experiments, we set grading parameter q such that 2q is an oddinteger.

9

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4.2 Sidi’s transformation T2Sidi [4] introduced another variable transformation T2 with the aid ofspherical coordinate as following:

T2 : x = (θ, φ)T 7→ x =(Ψ(θ2π

), φ)T,

where Ψ(t) is derived from a standard variable transformation ψ(t) in theextended class T2 of Sidi [26], and Ψ(t) = πψ(t), which is the first way todo variable transformation in [4]. The standard variable transformationψ(t), just as the original sinm – transformation, is defined via

ψm(t) =Θm(t)

Θm(1); Θm(t) =

∫ t

0

(sin πu)mdu. (4.11)

Here m ≥ 1 act as the ‘grading parameter’ in T1. From Θm(t)’s deriva-tive Θ′m(t) = (sinπt)m, we have ψ′m(t) = (sinπt)m/Θm(1). Obviously,Θ′m(t) is symmetric with respect to t = 1/2. So Θm(t) satisfies equationΘm(t) = Θm(1) − Θm(1 − t) for t ∈ [1/2, 1]. Thus, Θm(1) = 2 Θm(1/2).Consequently,

ψm(t) =Θm(t)

2Θm(1/2)for t ∈ [0, 1/2] ; ψm(t) = 1−ψm(1−t) for t ∈ [1/2, 1] .

(4.12)From equality

Θm(t) =m− 1

mΘm−2(t)− 1

πm(sin πt)m−1 cos πt,

we have the recursion relation

ψm(t) = ψm−2(t)− Γ(m/2)

2√πΓ((m+ 1)/2)

(sin πt)m−1 cos πt. (4.13)

When m is a positive integer, ψm(t) can be expressed in terms of elemen-tary functions. In this case, ψm(t) can be computed via the recursionrelation (4.13), with the initial conditions

ψm(t) = t and ψm(t) =1

2(1− cosπt) . (4.14)

When m is not an integer, ψm(t) cannot be expressed in terms of ele-mentary functions. However, it can be expressed conveniently in terms ofhypergeometric functions. Because of symmetry and (4.12) , it is enoughto consider the computation of Θm(t) only for t ∈ [0, 1/2]. One of therepresentations in terms of hypergeometric functions now reads

Θm(t) =(2K)m+1

π(m+ 1)F

(1

2− 1

2m,

1

2+

1

2m;

1

2m+

3

2; K2

); K = sin

πt

2.

(4.15)Then the expression of ψm(t) in (4.11) follows from (4.15) .

Now the integral I(f) becomes

I(f) =

∫S2f(T2(x))JT2(x) dω(x),

with JacobianJT2(x) = Ψ′m

(θ2π

)= 1

2ψ′m(θ2π

).

10

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4.3 Numerical integration method with orthogo-nal transformation

Since the above variable transformations are based on that the singularpoint is at the north pole of S2, we need to move the north pole to thesingular point. The original coordinate system of R3 needs to be rotatedto have the north pole of S2 in the rotated system be the location of thesingularity in integrand. Atkinson [3] used an orthogonal Householdertransformation. Here we introduce the rotation transformation R in R3,

x = Rx, x, x ∈ S2. (4.16)

In fact, R can be expressed as follows:

R = Rz(φ)Ry(θ) =

cosφ − sinφ 0sinφ cosφ 0

0 0 1

· cos θ 0 sin θ

0 1 0− sin θ 0 cos θ

,such that

R

001

= x0.

Here, x0 ∈ S2 is the singular point. Obviously, when the singular point isjust at the north pole, the rotation matrix R is the identity matrix I.

By using (1.2) , the singular integral can by approximated by thefollowing form with these positive weight quadrature rules:

I(f) ≈N∑j=1

ωjf(RTi(xj))JTi(xj), i = 1, 2.

Here, T1, T2 correspond to Atkinson’s transformation and Sidi’s transfor-mation, respectively.

5 Numerical Results

5.1 Quadrature nodes over S2

In this section we investigate three quadrature rules to approximate theintegration of serval test functions:

• Bivariate trapezoidal rule This quadrature rule is consist ofLongitude-Latitude points which divide the longitude and latitudeequally. By using the spherical coordinate (θ, φ), for n ≥ 1, leth = π/n, and θj = φj = jh. Bivariate trapezoidal can be written inthe following formula

QN (f) :=π2

n2

2n∑j=0

′′n∑i=0

′′f(θi, φj).

Here the superscript notation ′′ means to multiply the first and lastterms by 1/2 before summing. Atkinson [3] and Sidi [4] added a

11

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(a) Bi. trapezoidal rule, N =231

(b) Equal area points, N =225

(c) spherical t-design, N =225

Figure 2: Point sets on sphere

transformation to led rapid convergence or reduce the effect of anysingularities in f at the poles. In the following numerical experiment,for continuous function, we use Atkinson’s transformation with q =2.5, which shows faster convergence than 2 and 3, and for singularitywe use another q.

• Equal Partition Area points on sphere This integration rulebased on partitioning the sphere into a set of N open domains Tj ⊂

S2, j = 1, . . . , N , that is Tj⋂Tk = ∅ for j 6= k, and

N⋃j=1

Tj = S2

where Tj represent the closure of T . So the quadrature weight is thesurface area of T . In [27], Leopardi developed an algorithm to dividethe sphere into N equal area partition efficiently. The center of eachpartition is chosen as the quadrature node. So the correspondingquadrature rule is of equal positive weight:

QN (f) :=4π

N

N∑i=1

f(xi).

• Well conditional spherical t-design ( t up to 160 ).

The direct observation of these three point sets can be found in Figure 2.

5.2 Geometric properties

In this section we concentrate on the geometric properties of point setsover sphere. Naturally, the distance between any two points x and y onS2 is measured by the geodesic distance:

dist(x, y) = cos−1(x · y), x, y ∈ S2,

which is the natural metric on S2. The quality of the geometric distribu-tion of point set XN is often characterized by the following two quantities

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and their ration. The mesh norm

hXN := maxy∈S2

minxi∈XN

dist(y,xi) (5.17)

and the minimal angle

δXN = minxi,xj∈XN ,i6=j

dist(xi,xj).

The mesh norm is the covering radius for covering the sphere with spheri-cal caps of the smallest possible equal radius centered at the points in XN ,while the minimal angle δXN is twice the packing radius, so hXN ≥ δXN /2.The mesh ratio ρXN

ρXN :=2hXN

δXN

≥ 1

is a good measure for the quality of the geometric distribution of XN :the smaller ρXN is; the more uniformly are the points distributed on S2

[28].The geometric properties of above three point sets are shown in Fig-

ure 3 . Comparing the mesh norm, minimal angle and mesh ratio of threepoint sets in three subfigures, it can be seen that the mesh norm of WSTDis between the Bivariate trapezoidal rule and Equal area points.

5.3 Test functions

The used functions are expressed as follows.

f1(x, y, z) =0.75 exp(−(9x− 2)2/4− (9y − 2)2/4− (9z − 2)2/4)

+ 0.75 exp(−(9x+ 1)2/49− (9y + 1)/10− (9z + 1)/10)

+ 0.5 exp(−(9x− 7)2/4− (9y − 3)2/4− (9z − 5)2/4)

− 0.2 exp(−(9x− 4)2 − (9y − 7)2 − (9z − 5)2),

(5.18)

f2(x, y, z) =sin2(1 + |x+ y + z|)

10, (5.19)

f3(x, y, z) =1

101− 100z, (5.20)

f4(x, y, z) =

h0 cos2

(π2· rR

)if r < R,

0 if r ≥ R,r = dist

((x, y, z)T , (xc, yc, zc)

T ),(5.21)

f5(x, y, z) =exp (x+ 2y + 3z)

‖(x, y, z)T − (x0, y0, z0)T ‖2, (5.22)

f6(x, y, z) =exp 0.1(x+ 2y + 3z)

‖(x, y, z)T − (x0, y0, z0)T ‖2(over ellipsoid). (5.23)

It can be seen that each fi (i = 1, 2, 3, 4, 5) stands one class of func-tion. Function f1, one of Franke functions, was adapted by Renka tothe three dimension case [29]. f1 is analytic on the sphere. f2 and f3were used by Fliege and Maier [30] to test the quality of their numerical

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101

102

103

104

N

10-2

10-1

100

me

sh

no

rm

WSTD

Equal area

Bi. trap. rule

(a) Mesh norm of three point sets

101

102

103

104

N

10-3

10-2

10-1

100

min

ima

l a

ng

le

WSTD

Equal area

Bi. trap. rule

(b) Minimal angle of three point sets

Figure 3: Geometry of above three point sets

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101

102

103

104

N

100

101

102

mesh r

atio

WSTD

Equal area

Bi. trap. rule

(c) Mesh ratio of three point sets

Figure 3: Geometry of three point sets

integration scheme, which is based on integration of the polynomial in-terpolation through their calculated points. Function f2 , which show inFigure 4(b) , have only C0 continuity, in particular they are not continu-ously differentiable at points where any component of x is zero. Functionf3, which is called “near-singular function” [31], is analytic over S2 witha pole just off the surface of the sphere at x = (0, 0, 1.01)T . That is,f3((0, 0, 1.01)T ) = inf. The cosine cap function f4 is part of a standard testset for numerical approximations to the shallow water equations in spher-ical geometry [32]. f4 is smooth everywhere except at the edge, where twopart are joined. For f4, we set the center xc = (xc, yc, zc)

T = (0, 0, 1)T ,radius R = 1/3 and amplitude h0 = 1. Function f5 and f6, used in [33]and [3] respectively, are singular functions, which value become infinityat (x0, y0, z0)T . We make use of above two variable transformations incomputation of integrals of these two singular functions. f5’s singularpoint is (0, 0, −1)T over S2. The difference between f5 and f6 is that f6is defined on the ellipsoid

U :(x

1

)2+(y

2

)2+(z

3

)2= 1,

and its singular point is (1/2, 1, 3√

2/2)T over ellipsoid U. In this case,we assume that a mapping [3]

M : S2 1−1−−−→onto

U (5.24)

is given with S2. The integral becames

I(f) :=

∫S2f (M(x)) JM(x) dω(x),

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where JM(x) is the Jacobian of the mapping M. With the ellipsoidalsurface U defined as above, we can write

M : (x, y, z)T ∈ S2 7→ (ξ, η, ζ)T = (ax, by, cz)T ∈ U,

and its Jacobian JM(x) =√

(bcx)2 + (acy)2 + (abz)2. This mapping(5.24) can extend to smooth surface U which is the boundary of a boundedsimply-connected region Ω ⊂ R3 as introduced in [3].

By using Mathematica, exact integration values of all above testingfunctions over S2 are shown in Table 1 .

Table 1: exact integration valuefunction exact integration values

f1 6.6961822200736179523 . . .f2 0.45655373989 . . .f3 π log 201/50f4 0.103351 . . .f5 40.90220018862976 . . .f6 371.453416333927 . . .

5.4 Numerical Expertments

The computational integration error of these six functions by using men-tioned quadrature rules are shown in Figure 5 . From Figure 5(a)and 5(b), it can be seen that WSTD has the best performance in inte-gration when the degree t increases. The rate of change in integrationerror of spherical t-design is sharp as N increases. For f3 , the Bivari-ate trapezoidal rule have a bit better than WSTD, but the integration ofWSTD also present a competitive descend phenomenon. In fact, sphericalt-design is a rotationally invariant quadrature rule over S2, rather than Bi-variate trapezoidal rule depends on latitude and longitude. For singularfunctions, we employ Atkinson’s transformation and Sidi’s transforma-tion. Then we obtain smoother integrand. Consequently, the error curveof WSTD performs a rapid descend as N increases, see Figure 5(e) 5(f).It is evident that the error curves of other two quadrature nodes slidesslowly even when N passes 104. For f6 over ellipsoid, the errors slipstotally. But WSTD and Bivariate trapezoidal rule show similar sharp de-cline phenomenon. The rate of descent of Equal partition area points isgently as shown by start symbol, see Figure 5(h) .

6 Final Remark

The above test results and discussion has been to improve the under-standing of properties of quadrature nodes distributions. We investigatedWSTD for approximating the integral of certain functions over the unitsphere, concentrating on the application of WSTD to singular integrands.By comparison of the computational results of other two quadrature nodes

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(a) f1 (b) f2

(c) f3 (d) f4

(e) f5 (f) f6

Figure 4: Test functions

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100

101

102

103

104

10−14

10−12

10−10

10−8

10−6

10−4

10−2

100

N

Absolu

te e

rror

Franke1 Function

WSTDEqual areaBi. trap. rule

(a) f1

100

101

102

103

104

10−8

10−7

10−6

10−5

10−4

10−3

10−2

10−1

100

101

N

Absolu

te e

rror

sin2(1+|x+y+z|)10

WSTDEqual areaBi. trap. rule

(b) f2

Figure 5: Uniform error for test functions

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100

101

102

103

104

10−14

10−12

10−10

10−8

10−6

10−4

10−2

100

N

Absolu

te e

rror

1

101−100z

WSTDEqual areaBi. trap. rule

(c) f3

100

101

102

103

104

10−8

10−7

10−6

10−5

10−4

10−3

10−2

10−1

100

101

N

Absolu

te e

rror

Cap Function

WSTDEqual areaBi. trap. rule

(d) f4

Figure 5: Uniform error for test functions

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100

101

102

103

104

N

10-12

10-10

10-8

10-6

10-4

10-2

100

102

Ab

so

lute

err

or

Singular Function

WSTD

Equal area

Bi. trap. rule

(e) f5 with transformation T1 ( q = 2 )

100

101

102

103

104

N

10-10

10-5

100

Ab

so

lute

err

or

Singular Function

WSTD

Equal area

Bi. trap. rule

(f) f5 with transformation T2 ( m = 3 )

Figure 5: Uniform error for test functions

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100

101

102

103

104

N

10-8

10-6

10-4

10-2

100

102

Ab

so

lute

err

or

Singular Function

over Ellipsoid

WSTD

Equal area

Bi. trap. rule

(g) f6 with transformation T1 ( q = 3 )

100

101

102

103

104

N

10-12

10-10

10-8

10-6

10-4

10-2

100

102

Ab

so

lute

err

or

Singular Function

over Ellipsoid

WSTD

Equal area

Bi. trap. rule

(h) f6 with transformation T2 ( m = 5 )

Figure 5: Uniform error for test functions

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( Bivariate trapezoidal rule and Equal area points ), WSTD has a remark-able advantage. All numerical experiments are vivid and encouraging.Theoretical analysis of these numerical phenomenon is clearly needed infuture. Further study should be conducted on approximating more com-plicated integrands over the unit sphere by using WSTD.

7 Acknowledgment

The authors thank Professor Kendall E. Atkinson’s code in [3]. The sup-port of the National Natural Science Foundation of China (Grant No.11301222) is gratefully acknowledged.

References

[1] C. An, X. Chen, I. H. Sloan, R. S. Womersley, Well conditionedspherical designs for integration and interpolation on the two-sphere,SIAM Journal on Numerical Analysis 48 (6) (2010) 2135–2157.

[2] R. S. Womersley, Spherical designs with close to the minimal numberof points, Applied Mathematics Report AMR09/26, Univeristy ofNew South Wales, Sydney, Austrialia.

[3] K. Atkinson, Quadrature of singular integrands over surfaces, Elec-tronic Transactions on Numerical Analysis 17 (2004) 133–150.

[4] A. Sidi, Application of class Sm variable transformations to numer-ical integration over surfaces of spheres, Journal of Computationaland Applied Mathematics 184 (2) (2005) 475–492.

[5] J. S. Brauchart, E. B. Saff, I. H. Sloan, R. S. Womersley, QMCdesigns: optimal order quasi monte carlo integration schemes on thesphere, Mathematics of Computation 83 (290) (2014) 2821–2851.

[6] J. Cui, W. Freeden, Equidistribution on the sphere, SIAM Journalon Scientific Computing 18 (2) (1997) 595–609.

[7] P. J. Grabner, R. F. Tichy, Spherical designs, discrepancy and nu-merical integration, Mathematics of Computation 60 (201) (1993)327–336.

[8] I. H. Sloan, R. S. Womersley, Extremal systems of points and numeri-cal integration on the sphere, Advances in Computational Mathemat-ics 21 (1) (2004) 107–125.

[9] K. Hesse, I. H. Sloan, Worst-case errors in a sobolev space setting forcubature over the sphere S2, Bulletin of the Australian MathematicalSociety 71 (01) (2005) 81–105.

[10] P. Delsarte, J.-M. Goethals, J. J. Seidel, Spherical codes and designs,Geometriae Dedicata 6 (3) (1977) 363–388.

22

Page 23: Numerical Integration over the Unit Sphere by using ... · PDF fileNumerical Integration over the Unit Sphere by using spherical t-design Congpei An 1, Siyong Chen 1Department of Mathematics,

[11] E. Bannai, E. Bannai, A survey on spherical designs and algebraiccombinatorics on spheres, European Journal of Combinatorics 30 (6)(2009) 1392–1425.

[12] A. Bondarenko, D. Radchenko, M. Viazovska, Optimal asymptoticbounds for spherical designs, Annals of Mathematics 178 (2) (2013)443–452.

[13] X. Chen, A. Frommer, B. Lang, Computational existence proofs forspherical t-designs, Numerische Mathematik 117 (2) (2011) 289–305.

[14] X. Chen, R. S. Womersley, Existence of solutions to systems of un-derdetermined equations and spherical designs, SIAM Journal on Nu-merical Analysis 44 (6) (2006) 2326–2341.

[15] I. H. Sloan, R. S. Womersley, A variational characterisation of spher-ical designs, Journal of Approximation Theory 159 (2) (2009) 308–318.

[16] P. D. Seymour, T. Zaslavsky, Averaging sets: a generalization ofmean values and spherical designs, Advances in Mathematics 52 (3)(1984) 213–240.

[17] C. An, S. Chen, Numerical verification of well condidtion sphericalt-designswith large t, to appear.

[18] C. Muller, Spherical Harmonics, Vol. 17 of Lecture Notes in Mathe-matics, Springer-Verlag Berlin Heidelberg, 1966.

[19] K. Atkinson, W. Han, Spherical Harmonics and Approximations onthe Unit Sphere: An Introduction, Vol. 2044, Springer Science &Business Media, 2012.

[20] E. Bannai, R. M. Damerell, Tight spherical designs, I, Journal of theMathematical Society of Japan 31 (1) (1979) 199–207.

[21] E. Bannai, R. M. Damerell, Tight spherical disigns, II, Journal of theLondon Mathematical Society 2 (1) (1980) 13–30.

[22] R. S. Womersley, Efficient spherical designs with good geometricproperties, Preprint 130.

[23] R. H. Hardin, N. J. Sloane, Mclarens improved snub cube and othernew spherical designs in three dimensions, Discrete & ComputationalGeometry 15 (4) (1996) 429–441.

[24] K. Atkinson, A. Sommariva, Quadrature over the sphere, ElectronicTransactions on Numerical Analysis 20 (2005) 104–119.

[25] A. Sidi, Analysis of Atkinson’s variable transformation for numeri-cal integration over smooth surfaces in R3, Numerische Mathematik100 (3) (2005) 519–536.

23

Page 24: Numerical Integration over the Unit Sphere by using ... · PDF fileNumerical Integration over the Unit Sphere by using spherical t-design Congpei An 1, Siyong Chen 1Department of Mathematics,

[26] A. Sidi, Extension of a class of periodizing variable transformationsfor numerical integration, Mathematics of Computation 75 (253)(2006) 327–343.

[27] P. Leopardi, Diameter bounds for equal area partitions of the unitsphere, Electronic Transactions on Numerical Analysis 35 (2009) 1–16.

[28] K. Hesse, I. H. Sloan, R. S. Womersley, Numerical integration on thesphere, in: Handbook of Geomathematics, Springer Berlin Heidel-berg, Berlin, Heidelberg, 2010, pp. 1185–1219.

[29] R. J. Renka, Multivariate interpolation of large sets of scattered data,ACM Transactions on Mathematical Software (TOMS) 14 (2) (1988)139–148.

[30] J. Fliege, U. Maier, The distribution of points on the sphere and cor-responding cubature formulae, IMA Journal of Numerical Analysis19 (2) (1999) 317–334.

[31] S. Vijayakumar, D. E. Cormack, A new concept in near-singularintegral evaluation: the continuation approach, SIAM Journal onApplied Mathematics 49 (5) (1989) 1285–1295.

[32] D. L. Williamson, J. B. Drake, J. J. Hack, R. Jakob, P. N. Swarz-trauber, A standard test set for numerical approximations to theshallow water equations in spherical geometry, Journal of Computa-tional Physics 102 (1) (1992) 211–224.

[33] A. Sidi, Numerical integration over smooth surfaces in R3 via classsm variable transformations. Part II: Singular integrands, AppliedMathematics and Computation 181 (1) (2006) 291–309.

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