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FFT-accelerated evaluation of scaled discrete convolutions

A NOVEL FOURIER FREQUENCYโ€“TIME METHOD FOR ACOUSTIC WAVE SCATTERING

5.2 Windowed and re-centered wave equation and solutions with slow ๐œ” de- pendencependence

6.1.2 FFT-accelerated evaluation of scaled discrete convolutions

The quadrature method introduced in Section 6.1.1 reduces the evaluation of the right-hand transform in (2.17) for values๐‘ก =๐‘ก๐‘›(for a given range 0 โ‰ค ๐‘›โˆ’๐‘›

0 โ‰ค ๐‘โˆ’1 with๐‘›

0โˆˆZand๐‘ โˆˆN) to evaluation of scaled convolutions of the form ๐‘‘๐‘›=

๐‘€/2โˆ’1

ร•

๐‘š=โˆ’๐‘€/2

๐‘๐‘š๐‘๐›ฝ๐‘šโˆ’๐›พ ๐‘›, 0โ‰ค ๐‘›โˆ’๐‘›

0 โ‰ค ๐‘โˆ’1, (2.25)

where the coefficients๐‘๐‘šare complex numbers that make up a certain โ€œinput vectorโ€

ยฎ

๐‘ = (๐‘โˆ’๐‘€/

2, . . . , ๐‘โˆ’๐‘€/

2โˆ’1), and where the โ€œconvolution kernelโ€ ๐‘ is a function of its real-valued sub-index ๐‘ž: ๐‘๐‘ž = ๐‘(๐‘ž). (Compare (2.24) and (2.25) and note the specific scaled convolution kernel๐‘๐‘žand parameter value๐›พ =1 used in the former equation.) This section presents an algorithm which evaluates the sum (2.25) for all required values of๐‘›at FFT speeds.

To describe the algorithm, let ๐ฟ denote a certain positive even integer, to be de- fined below, which is larger than or equal to the maximum of ๐‘ and ๐‘€. The convolution input vector ๐‘ยฎ is symmetrically zero-padded to form a new vector

ยฎ

๐‘ = (๐‘โˆ’๐ฟ/

2, ๐‘โˆ’๐ฟ/

2+1, . . . , ๐‘๐ฟ/

2โˆ’1) of length ๐ฟ. New elements are also added to the list of evaluation indices in (2.25) so that the overall list contains the ๐ฟ elements in the indicial vector ๐‘›ยฎ = (๐‘›

0 โˆ’ ๐ฟ/2, ๐‘›

0 โˆ’ ๐ฟ/2+1, . . . , ๐‘›

0 + ๐ฟ/2โˆ’ 1). Follow- ing [100], for technical reasons, the length ๐ฟis determined by the relation ๐ฟ โ‰ฅ ๐ฟ

0, where ๐ฟ

0 denotes the smallest even integer for which the kernel index parameter ๐‘ž = ๐›ฝ๐‘šโˆ’๐›พ ๐‘›lies in the rangeโˆ’๐ฟ

0/2 โ‰ค ๐‘ž โ‰ค ๐ฟ

0/2โˆ’1 forโˆ’๐‘€/2 โ‰ค ๐‘š โ‰ค ๐‘€/2โˆ’1, 0 โ‰ค ๐‘›โˆ’ ๐‘›

0 โ‰ค ๐‘ โˆ’ 1. (As pointed out below, selections satisfying ๐ฟ > ๐ฟ

0 are occasionally necessary to achieve a prescribed error tolerance.) In view of these selections, the scaled convolution expression (2.25) is embedded in the analogous but more favorably structured convolution expression

๐‘‘๐‘› =

๐ฟ/2โˆ’1

ร•

๐‘š=โˆ’๐ฟ/2

๐‘๐‘š๐‘๐›ฝ๐‘šโˆ’๐›พ ๐‘›, โˆ’๐ฟ/2 โ‰ค ๐‘›โˆ’๐‘›

0 โ‰ค ๐ฟ/2โˆ’1, (2.26)

๐‘€ Direct (s) Fast (s) ๐œ€Fast 101 5.6ยท10โˆ’2 8.3ยท10โˆ’3 6.6ยท10โˆ’3 102 8.3ยท10โˆ’2 7.9ยท10โˆ’3 1.9ยท10โˆ’7 103 1.8ยท10โˆ’1 7.8ยท10โˆ’3 1.6ยท10โˆ’8 104 1.4ยท100 8.2ยท10โˆ’3 7.9ยท10โˆ’7

๐‘ Direct (s) Fast (s) ๐œ€Fast

101 1.5ยท10โˆ’3 1.1ยท10โˆ’2 6.2ยท10โˆ’6 102 1.2ยท10โˆ’2 7.5ยท10โˆ’3 5.8ยท10โˆ’6 103 8.8ยท10โˆ’2 8.1ยท10โˆ’3 4.7ยท10โˆ’6 104 7.1ยท10โˆ’1 8.0ยท10โˆ’3 2.6ยท10โˆ’7 105 7.5ยท100 9.3ยท10โˆ’2 2.1ยท10โˆ’9 106 9.4ยท101 1.5ยท100 2.6ยท10โˆ’10 107 2.8ยท103 2.3ยท101 5.5ยท10โˆ’9

Table 2.1: Computing times required for evaluation of the size-๐‘€ scaled convo- lution (2.24) by means of the Direct and Fast algorithms described in the text at a number ๐‘ of time points๐‘ก๐‘›, and errors ๐œ€Fast associated with the Fast algorithm.

(By definition, the Direct algorithm provides the exact convolution results, up to roundoff.) Left: ๐‘ =104. Right: ๐‘€ =5000.

Using the๐›พ-fractional discrete Fourier transform๐ถ(๐›พ)๐‘ (that is to say, the fractional Fourier transform based on roots of unity parameter ๐›พ as in [7]) together with the discrete Fourier transform๐ต๐‘,

๐ถ(

๐›พ)

๐‘ =

๐ฟ/2โˆ’1

ร•

๐‘š=โˆ’๐ฟ/2

๐‘๐‘šeโˆ’i

2๐œ‹ ๐›พ ๐‘š ๐‘

๐ฟ , ๐ต๐‘ =

๐ฟ/2โˆ’1

ร•

๐‘š=โˆ’๐ฟ/2

๐‘๐‘šeโˆ’i

2๐œ‹ ๐‘š ๐‘ ๐ฟ ,

an application of the convolution theorem yields [100]

๐‘‘๐‘›=

๐ฟ/2โˆ’1

ร•

๐‘š=โˆ’๐ฟ/2

๐‘๐‘š๐‘๐›ฝ๐‘šโˆ’๐›พ ๐‘› โ‰ˆ 1 ๐ฟ

๐ฟ/2โˆ’1

ร•

๐‘=โˆ’๐ฟ/2

๐ถ(

๐›พ) ๐‘ ๐ต๐‘ei

2๐œ‹ ๐›ฝ ๐‘› ๐‘

๐ฟ , โˆ’๐ฟ/2 โ‰ค ๐‘›โˆ’๐‘›

0โ‰ค ๐ฟ/2โˆ’1, (2.27) reducing, in particular, the (approximate) evaluation of the desired values๐‘‘๐‘›in (2.25) to evaluation of a discrete Fourier transform and a ๐›พ-fractional discrete Fourier transform, both of size๐ฟ, followed by evaluation of the๐ฟ-term inverse ๐›ฝ-fractional Fourier transform on the right-hand side of (2.27). The necessary discrete Fourier transform can of course be evaluated by means of the FFT algorithm. The fractional Fourier transforms (FRFTs) can also be accelerated on the basis of the FFT-based fractional Fourier transform algorithms, at anO (๐ฟlog๐ฟ)cost of approximately four times that of an๐ฟ-point FFT; see [7]. The error inherent in the approximation (2.27) is a quantity of order O (๐ฟโˆ’2), which, in our applications, generally yields any desired accuracy in very fast computing times by selecting appropriate values of the parameter๐ฟ.

To demonstrate the accelerated scaled-convolution algorithm, we evaluate the trans- form (2.25) for several values of ๐‘, with certain coefficients ๐‘๐‘š (โˆ’๐‘€/2 โ‰ค ๐‘š โ‰ค

๐‘€/2โˆ’1) and with๐‘๐‘žas in (2.24). (The particular selection of the coefficients๐‘๐‘š is immaterial in the context of the present demonstration, but, for reference, we men- tion that the coefficients used in the example were obtained as the coefficients of the ๐‘€-term FC expansion (2.22) with ๐น(๐œ”) = eโˆ’14(๐œ”โˆ’10)2eโˆ’i8๐œ” in the interval [8,15]. This specific scaled convolution arises as the method in Section 6.1.1 is applied to the evaluation of (2.20) on [0, ๐‘‡], with๐‘‡ = ๐‘ฮ”๐‘ก andฮ”๐‘ก =0.2.) Letting๐‘‘e๐‘›denote the approximation of ๐‘‘๐‘›produced by the fast algorithm, Table 2.1 displays theโ„“โˆž error๐œ€Fast =max๐‘›|๐‘‘๐‘›โˆ’๐‘‘e๐‘›|as well as the time required by the fast method to produce the ๐‘€-coefficient sum at the required๐‘ evaluation points. The computations were performed in MATLAB on an Intel Core i7-8650U CPU.

6.2 Non-smooth ๐น(๐œ”): singular quadrature for 2D low frequency scattering This section concerns the evaluation of the inverse transform in (2.17) for cases in which ๐น contains an (integrable) singularity at ๐œ” = 0. In the context of the proposed wave equation solver, this occurs in the evaluation of (2.13) in the๐‘‘ =2 case (where for each spatial point rwe have ๐น(๐œ”) =๐‘ˆslow

๐‘˜ (r, ๐œ”)ei๐œ” ๐‘ ๐‘˜) since, as is known [88, 119], in two dimensions the solutions to the Helmholtz equation vary as an integrable function of log๐œ”which vanishes at๐œ” =0. (Special treatments are not necessary in the๐‘‘ =3 case, where, given incident fields with smooth๐œ”-dependence, the Helmholtz solutions vary smoothly with๐œ” for all real values of๐œ”[77, 120].) To design our quadrature rule in the non-smooth case, we recall the decomposi- tion (2.18),

๐‘“(๐‘กโ„“) =

โˆซ โˆ’๐‘ค๐‘

โˆ’๐‘Š

+

โˆซ ๐‘ค๐‘

โˆ’๐‘ค๐‘

+

โˆซ ๐‘Š

๐‘ค๐‘

๐น(๐œ”)eโˆ’i๐œ”๐‘กโ„“d๐œ” C ๐ผโˆ’(๐‘กโ„“) +๐ผ

0(๐‘กโ„“) +๐ผ+(๐‘กโ„“), (2.28) where using the notation introduced in (2.20), ๐ผโˆ’(๐‘กโ„“) = ๐ผโˆ’

๐‘ค๐‘

โˆ’๐‘Š [๐น] (๐‘กโ„“) and ๐ผ+(๐‘กโ„“) = ๐ผ๐‘Š

๐‘ค๐‘[๐น] (๐‘กโ„“) can be treated effectively by means of the Fourier-based quadrature method developed in Section 6.1. Unfortunately, an application of that approach to ๐ผ0(๐‘กโ„“) =๐ผโˆ’๐‘ค๐‘ค๐‘

๐‘[๐น] (๐‘กโ„“)would not give rise to high-order accuracy, in view of the slow convergence of the Fourier expansion of ๐น in the interval [โˆ’๐‘ค๐‘, ๐‘ค๐‘]โ€”that arises from the singularity of ๐น at๐œ” =0. We therefore develop a special quadrature rule for evaluation of the half-interval integral

๐ผ๐œ”๐‘

0 [๐น] (๐‘ก)=

โˆซ ๐œ”๐‘

0

๐น(๐œ”)eโˆ’i๐‘ก ๐œ”d๐œ” (2.29) that retains the main attractive features of the integration methods developed in the previous section: high-order quadrature at fixed cost for evaluation at arbitrarily large times๐‘ก.

Remark 12. As in Section 6.1, the aforementioned ๐‘ก-independent errors can be achieved on the basis of fixed (๐‘ก-independent) finite set, which will be denoted by Fsing in the present context, of frequency mesh points. The procedure used here, however, does not rely on Fourier approximation of๐น, cf. Remark11.

In order to evaluate the Fourier integral ๐ผ

0(๐‘กโ„“) at fixed cost for arbitrarily large times๐‘กโ„“, despite the presence of increasingly oscillatory behavior of the transform kernel, we rely on a certain modified โ€œFilon-Clenshaw-Curtisโ€ high-order quadra- ture approach [52] for non-smooth ๐น(๐œ”). The classical Filon-Clenshaw-Curtis method [108], which assumes a smooth function ๐น, involves replacement of ๐น by its polynomial interpolant ๐‘„N๐น at the Clenshaw-Curtis points followed by exact computation of certain associated โ€œmodified momentsโ€ (which are given by inte- grals of the Chebyshev polynomials multiplied by the oscillatory Fourier kernel).

Importantly, this classical procedure eliminates the need to interpolate the target transform function at large numbers of frequency points as time increases. Addi- tionally, on account of the selection of Clenshaw-Curtis interpolation points, the polynomial interpolants coincide with rapidly convergent Chebyshev approxima- tions, and, therefore, the integration procedure converges with high-order accuracy.

The accuracy resulting from use of a Chebyshev-based approach, which is very high for any value of๐‘ก, actually improves as time increases: as shown in [52], the error in the method [108] asymptotically decreases to zero as๐‘ก โ†’ โˆž.

The modified Filon-Clenshaw-Curtis method [52] we use in the present non-smooth- ๐นcase (where๐น is singular at๐œ” =0 only) proceeds on the basis of a graded set

ฮ M,๐‘ž B

๐œ‡๐‘— B๐œ”๐‘ ๐‘—

M ๐‘ž

: ๐‘— =1, . . . ,M

, (2.30)

of points in(0, ๐œ”๐‘]which are used to form subintervals(๐œ‡๐‘—, ๐œ‡๐‘—+

1)(1โ‰ค ๐‘— โ‰ค Mโˆ’1).

For a given meshsizeN, each one of these subintervals is then discretized by means of a Clenshaw-Curtis mesh containingNpoints, and all of these meshes are combined in a single mesh setFsing(which contains a total of|Fsing|=2(Mโˆ’1)Npoints) that is to be used for evaluation of the integral๐ผ

0. Using this mesh, the Clenshaw-Curtis quadrature rule is applied to the evaluation of ๐ผ

๐œ‡๐‘—+1

๐œ‡๐‘— [๐น] (๐‘ก) (see Equation (2.20)).

The integral ๐ผ๐œ”๐‘

0 [๐น] (๐‘ก) is finally approximated by a composite quadrature rule that mirrors the exact relation

๐ผ

๐œ”๐‘

0 [๐น] (๐‘ก) = ร•M

๐‘—=2

๐ผ

๐œ‡๐‘— ๐œ‡๐‘—โˆ’

1 [๐น] (๐‘ก). (2.31)

The error introduced by this quadrature rule is discussed extensively in [52], and is of course dependent on the strength of the singularity. Briefly, in our context, and assuming ๐‘ž > N+1, the convergence order as N โ†’ โˆž is determined by the numberMof integration subintervals used: letting ๐ผN โ‰ˆ ๐ผ denote the approximate value produced by the composite quadrature rule usingN Clenshaw-Curtis points per subinterval, we find the error in ๐ผNsatisfies [52, Thm. 3.6]

|๐ผ[๐น] โˆ’๐ผN[๐น] | =O (Mโˆ’(1+N)) as Nโ†’ โˆž.

Whenever necessary (i.e. for two-dimensional problems containing nonzero content at zero-frequency), the numerical results presented in Section 8 were produced using the valuesM=4,N =8, and๐‘ž =9.1 > N+1. Of course, two-dimensional problems whose frequency spectrum is bounded away from the origin, and three- dimensional problems (which always enjoy a smooth frequency dependence even around๐œ” = 0), do not require the use of the quadrature rule described above. The computational cost of this algorithm does not grow with increasing evaluation time ๐‘ก, consistent with theO (1) large time sampling cost for the overall hybrid method.

7 Fast-hybrid wave equation solver: overall algorithm description

Utilizing a number of concepts presented in the previous sections and additional notations, including:

โ€“ An incident field๐‘of the form (1.8) for a given directionp; โ€“ A setF ={๐œ”

1, . . . , ๐œ”๐ฝ} of frequencies (n.b.F = Fsmoothโˆช Fsingin the 2D case, and F = Fsmooth in the 3D case, cf. Remark 11 and Remark 12)) used to discretize both the slow ๐ป-windowed Fourier transform ๐ตslow

๐‘˜ (cf. (2.14)) and the corresponding slow frequency scattered fields๐‘ˆslow

๐‘˜ (cf. (2.16));

โ€“ A setC(of cardinality๐‘ฮ“) of scattering-boundary discretization points;

โ€“ SetsR (of cardinality ๐‘r) andT = {๐‘กโ„“ : 1 โ‰คโ„“ โ‰ค ๐‘๐‘ก})(of cardinality ๐‘๐‘ก) of discrete spatial and temporal observation points at which the scattered field is to be produced;

the single-incidence (see Remark 1)) time-domain algorithm introduced in this chapter is summarized in the following prescriptions.

F1 Evaluate numerically the windowed incident-field signal functions๐‘ค๐‘˜(๐‘ก)๐‘Ž(๐‘ก), in (2.8) (๐‘˜ = 1, . . . , ๐พ), over a temporal mesh adequate for evaluation of the Fourier transforms mentioned in Step [F2].

F2 Obtain the boundary condition functions ๐ตslow

๐‘˜ (๐œ”) at frequency mesh values ๐œ” =๐œ”๐‘— โˆˆ F (1 โ‰ค ๐‘— โ‰ค ๐ฝ) by Fourier transformation of the windowed signals in [F1], in accordance to (2.14).

F3 Solve a total of๐ฝ integral equations (1.19) under plane-wave incidence with incidence vectorp(see Remark 1) at the frequencies๐œ”๐‘— โˆˆ F, to produce, for each ๐‘—, boundary integral densities๐œ“๐‘ก =๐œ“๐‘ก

p(r0, ๐œ”๐‘—),r0โˆˆ C.

F4 For each partition index๐‘˜ =1, . . . , ๐พ, produce the frequency-domain scatter- ing boundary integral density๐œ“slow

๐‘˜ with support in [โˆ’๐‘Š , ๐‘Š] on the basis of the densities๐œ“๐‘ก

p via an application of Equation (2.15).

F5 Complete the frequency domain portion of the algorithm by evaluating, at each pointr โˆˆ R, the frequency-domain solution๐‘ˆslow

๐‘˜ (r, ๐œ”๐‘—) in Equation (2.16) by numerical evaluation of the layer potential integral in that equation, using the density values๐œ“slow

๐‘˜ (r0, ๐œ”๐‘—)at boundary pointsr0 โˆˆ C.

In order to evaluate the solution๐‘ขfor all points in the setR, and for all times in the setT, the algorithm proceeds by transforming each windowed solution back to the time domain using the quadrature methods presented in Section 6. The following prescriptions thus complete the overall hybrid solver.

T0 For ๐‘˜ =1 to๐พ and for eachrโˆˆ R do:

T1 a) (3D case) Obtain the coefficients ๐‘๐‘š = ๐‘๐‘š(r) of the Fourier series expansions of the form (2.22) for the functions ๐น(๐œ”) = ๐‘ˆslow

๐‘˜ (r, ๐œ”) in the interval๐œ” โˆˆ [โˆ’๐‘Š , ๐‘Š].

b) (2D case) Obtain the coefficients๐‘๐‘š(1) =๐‘๐‘š(1)(r)and๐‘๐‘š(2) =๐‘๐‘š(2)(r)of the Fourier series expansions of the form (2.22) for the functions ๐น(๐œ”) = ๐‘ˆslow

๐‘˜ (r, ๐œ”)in the domains [โˆ’๐‘Š ,โˆ’๐œ”๐‘] and [๐œ”๐‘, ๐‘Š], respectively. (n.b.

Fsmoothis a discretization of the set[โˆ’๐‘Š ,โˆ’๐œ”๐‘] โˆช [๐œ”๐‘, ๐‘Š].)

T2 a) (3D case) Evaluate the discrete scaled convolution using the fast algo- rithms described in Section 6.1.2 with coefficients๐‘๐‘š =๐‘๐‘š(r)obtained in (T1a) which, on account of Equations (2.13) and (2.20), yields๐‘ข๐‘˜(r, ๐‘ก) for๐‘ก โˆˆ T.

b) (2D case) Evaluate two discrete scaled convolutions using the fast al- gorithms described in Section 6.1.2 with coefficients๐‘๐‘š = ๐‘(๐‘š1)(r) and ๐‘๐‘š = ๐‘(๐‘š2)(r) to produce, for all ๐‘ก โˆˆ T, ๐ผโˆ’ = ๐ผโˆ’(๐‘ก) and ๐ผ+ = ๐ผ+(๐‘ก) for ๐น =๐‘ˆslow

๐‘˜ as in Section 6.2.

c) (2D case continued) Evaluate the singular integral approximation ๐ผ

0

using the methods in Section 6.2 with the frequency points inFsing. d) (2D case continued) Evaluate๐‘ข๐‘˜(r, ๐‘ก) = ๐ผโˆ’(๐‘ก) +๐ผ

0(๐‘ก) +๐ผ+(๐‘ก) for๐‘ก โˆˆ T (cf. (2.28)).

T4 End do

T5 Evaluate๐‘ข=ร๐พ

๐‘˜=1๐‘ข๐‘˜(r, ๐‘ก)(cf. Equation (2.10), (2.32)).

T6 End

Remark 13. Calling๐‘ข๐‘Š ,๐ฝ

๐‘˜ the numerical approximations to the functions ๐‘ข๐‘˜ pro- duced under the finite bandwidth๐‘Š and on the basis of the ๐ฝ quadrature points in F, the equation in algorithm step [T5] can more precisely be expressed in the form

๐‘ข(r, ๐‘ก) โ‰ˆ

๐พ

ร•

๐‘˜=1

๐‘ข๐‘Š ,๐ฝ

๐‘˜ (r, ๐‘ก). (2.32)

The errors๐‘’=๐‘’(๐‘Š , ๐ฝ)inherent in this approximation decay superalgebraically fast uniformly inrand๐‘ก as๐‘Š grows (see Remark4). The frequency-quadrature errors resulting from the methodology described in Section6for the integral in(2.13), fur- ther, decay superalgebraically fast (or, in the two-dimensional case, with prescribed high-order) as ๐ฝ increases, uniformly in๐‘ก (see Section6.1.1and Section 6.2for a full discussion of frequency-quadrature errors). Solutions with quadrature errors uniform inrcan be obtained either on the basis of the time-domain single layer po- tential for(1.6)(Kirchhoff formula) for the time-dependent density๐œ“๐‘˜, or by means of an adequate treatment of the high-frequency oscillations in frequency-domain space that, in accordance with Equation(2.16), arise for large values of|r|.

8 Numerical results

After a brief demonstration of the proposed quadrature rule in a simple context (Section 8.1), this section demonstrates the convergence of the overall algorithm (Section 8.2) and it presents solutions produced by the solver in the two- and three- dimensional contexts (Sections 8.3 to 8.4). In particular, Section 8.3 presents a

few spatial screenshots of long-time propagation experiments (enabled by the time- partitioning methodology described in Section 5, see Figure 2.5), as well as, in Fig- ure 2.6, results for a configuration which gives rise to significant numbers of multiple- scattering events. Section 8.4, finally, presents a variety of three-dimensional exam- ples, including accuracy as well as computational- and memory-cost comparisons with results produced by means of recently introduced convolution-quadrature and time-domain integral-equation algorithms. Section 8.4 also illustrates the applica- bility of the methods introduced in this thesis to a scattering surface provided in the form of a CAD description (Computer Aided Design).