Richardson extrapolation and higher order QMC
Takashi Goda
School of Engineering, University of Tokyo
MCM 2019 Partly joint with Josef Dick and Takehito Yoshiki
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 1 / 61
Richardson extrapolation and higher order QMC Takashi Goda School - - PowerPoint PPT Presentation
Richardson extrapolation and higher order QMC Takashi Goda School of Engineering, University of Tokyo MCM 2019 Partly joint with Josef Dick and Takehito Yoshiki Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 1 / 61 Outline QMC
Takashi Goda
School of Engineering, University of Tokyo
MCM 2019 Partly joint with Josef Dick and Takehito Yoshiki
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 1 / 61
QMC and digital nets/sequences Classical QMC Higher order QMC Richardson extrapolation and QMC Application 1: Truncation of higher order nets and sequences Application 2: Extrapolated polynomial lattice rules
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 2 / 61
QMC and digital nets/sequences Classical QMC Higher order QMC Richardson extrapolation and QMC Application 1: Truncation of higher order nets and sequences Application 2: Extrapolated polynomial lattice rules
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 3 / 61
Approximate I(f ) = ∫
[0,1)s f (x) dx,
where f : [0, 1)s → R is integrable. Choose an N-element point set P ⊂ [0, 1)s and approximate I(f ) by QP(f ) = 1 N ∑
x∈P
f (x). This is called a quasi-Monte Carlo (QMC) integration over P.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 4 / 61
Let m, n ∈ N := {1, 2, . . .}. Let C1, . . . , Cs ∈ Fn×m
2
(F2 := {0, 1}, the two-element field).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 5 / 61
Let m, n ∈ N := {1, 2, . . .}. Let C1, . . . , Cs ∈ Fn×m
2
(F2 := {0, 1}, the two-element field). Denote the dyadic expansion of 0 ≤ h < 2m by h = (ηm−1 . . . η1η0)2.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 5 / 61
Let m, n ∈ N := {1, 2, . . .}. Let C1, . . . , Cs ∈ Fn×m
2
(F2 := {0, 1}, the two-element field). Denote the dyadic expansion of 0 ≤ h < 2m by h = (ηm−1 . . . η1η0)2. For 1 ≤ j ≤ s, let xj = (0.ξ(j)
1 . . . ξ(j) n 00 . . .)2,
where ξ(j)
1
. . . ξ(j)
n
= Cj η0 . . . ηm−1 ∈ Fn
2.
This gives a point x = (x1, . . . , xs) ∈ [0, 1)s.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 5 / 61
Let m, n ∈ N := {1, 2, . . .}. Let C1, . . . , Cs ∈ Fn×m
2
(F2 := {0, 1}, the two-element field). Denote the dyadic expansion of 0 ≤ h < 2m by h = (ηm−1 . . . η1η0)2. For 1 ≤ j ≤ s, let xj = (0.ξ(j)
1 . . . ξ(j) n 00 . . .)2,
where ξ(j)
1
. . . ξ(j)
n
= Cj η0 . . . ηm−1 ∈ Fn
2.
This gives a point x = (x1, . . . , xs) ∈ [0, 1)s. Running through all 0 ≤ h < 2m, we get a 2m-element point set P called a digital net over F2.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 5 / 61
Let C1, . . . , Cs ∈ FN×N
2
, where every column is assumed to have only finite non-zero elements. Denote the dyadic expansion of h ∈ N0 := N ∪ {0} by h = (. . . η1η0)2. where all but finite number of ηi are 0. For 1 ≤ j ≤ s, let xj = (0.ξ(j)
1 ξ(j) 2 . . .)2,
where ξ(j)
1
ξ(j)
2
. . . = Cj η0 η1 . . . ∈ FN
2 .
This gives a point x = (x1, . . . , xs) ∈ [0, 1)s. This way we get an infinite sequence of points S called a digital sequence over F2.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 6 / 61
“Goodness” (undefined) of digital nets/sequences is determined by generating matrices C1, . . . , Cs. For nets, m determines total number of points, while n determines precision of each point. For sequences, the assumption that every column has only finite non-zero elements is to ensure that each point has finite precision.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 7 / 61
For classical QMC where “goodness” is measured by discrepancy, it is usual to set n = m (square matrices) for nets, or consider upper-triangular matrices for sequences. For higher order QMC where “goodness” is measured by the worst-case error for a class of smooth functions, we need higher
smoothness of functions).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 8 / 61
For classical QMC where “goodness” is measured by discrepancy, it is usual to set n = m (square matrices) for nets, or consider upper-triangular matrices for sequences. For higher order QMC where “goodness” is measured by the worst-case error for a class of smooth functions, we need higher
smoothness of functions).
Aim of this talk
is to show that Richardson extrapolation can be used as a technique to reduce necessary precision of higher order QMC from αm to m.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 8 / 61
For classical QMC where “goodness” is measured by discrepancy, it is usual to set n = m (square matrices) for nets, or consider upper-triangular matrices for sequences. For higher order QMC where “goodness” is measured by the worst-case error for a class of smooth functions, we need higher
smoothness of functions).
Aim of this talk
is to show that Richardson extrapolation can be used as a technique to reduce necessary precision of higher order QMC from αm to m.
Implication
Possibility to try large values of α w/o suffering from round-off error. Search space for C1, . . . , Cs is significantly reduced.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 8 / 61
QMC and digital nets/sequences Classical QMC Higher order QMC Richardson extrapolation and QMC Application 1: Truncation of higher order nets and sequences Application 2: Extrapolated polynomial lattice rules
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 9 / 61
For an N-element point set P and y ∈ [0, 1)s, let ∆P(y) := 1 N ∑
x∈P
1x∈[0,y) − λ([0, y)), where λ denotes the Lebesgue measure.
y
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 10 / 61
For 1 ≤ p ≤ ∞, the Lp-discrepancy of P is defined by Lp(P) := (∫
[0,1)s |∆P(y)|p dy
)1/p . When p = ∞, the obvious modification is needed.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 11 / 61
For 1 ≤ p ≤ ∞, the Lp-discrepancy of P is defined by Lp(P) := (∫
[0,1)s |∆P(y)|p dy
)1/p . When p = ∞, the obvious modification is needed. The integration error is bounded by |QP(f ) − I(f )| ≤ VHK(f )L∞(P) where VHK(f ) is the Hardy-Krause variation of f .
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 11 / 61
For 1 ≤ p ≤ ∞, the Lp-discrepancy of P is defined by Lp(P) := (∫
[0,1)s |∆P(y)|p dy
)1/p . When p = ∞, the obvious modification is needed. The integration error is bounded by |QP(f ) − I(f )| ≤ VHK(f )L∞(P) where VHK(f ) is the Hardy-Krause variation of f .
Main focus on classical QMC
How to construct digital nets/sequences with small L∞(P).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 11 / 61
Let t be an integer such that, for any choice d1, . . . , ds ≥ 0 with d1 + · · · + ds = m − t, the first d1 rows of C1 . . . the first ds rows of Cs are linearly independent over F2. P is called a digital (t, m, s)-net.
... C1 C2 Cs
d1 d2 ds
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 12 / 61
An equi-distribution property of digital (t, m, s)-nets: every dyadic elementary box of the form
s
∏
j=1
[ aj 2cj , aj + 1 2cj ) with c1, . . . , cs ≥ 0, c1 + · · · + cs = m − t, 0 ≤ aj < 2cj contains exactly 2t points.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 13 / 61
An equi-distribution property of digital (t, m, s)-nets: every dyadic elementary box of the form
s
∏
j=1
[ aj 2cj , aj + 1 2cj ) with c1, . . . , cs ≥ 0, c1 + · · · + cs = m − t, 0 ≤ aj < 2cj contains exactly 2t points. Let t be an integer such that, for any m ≥ t, the first 2m points of S are a digital (t, m, s)-net. S is called a digital (t, s)-sequence.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 13 / 61
If P is a digital (t, m, s)-net over F2, L∞(P) ≤ Cs,t (log N)s−1 N with N = 2m. If P is the first N points of a digital (t, s)-sequence over F2, L∞(P) ≤ Ds,t (log N)s N , for all N ≥ 2.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 14 / 61
For s = 1, C1 can be the identity matrix, which generates the famous digital (0, 1)-sequence called van der Corput sequence.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 15 / 61
For s = 1, C1 can be the identity matrix, which generates the famous digital (0, 1)-sequence called van der Corput sequence. For s = 2, C1 and C2 can be C1 = 1 · · · 1 · · · . . . . . . ... . . . · · · 1 , C2 = · · · 1 · · · 1 . . . ... . . . . . . 1 · · · , which generates a digital (0, m, 2)-net, known as the Hammersley point set. Not extensible in m.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 15 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Figure: Hammersley point set for m = 6
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 16 / 61
Let p1, p2, . . . ∈ F2[x] be a sequence of distinct primitive/irreducible polynomials over F2 with e1 ≤ e2 ≤ · · · where ej = deg(pj).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 17 / 61
Let p1, p2, . . . ∈ F2[x] be a sequence of distinct primitive/irreducible polynomials over F2 with e1 ≤ e2 ≤ · · · where ej = deg(pj). For each j, Cj = (c(j)
k,l ) is given by the coefficients of the following
Laurent series: xej−1 pj(x) = c(j)
1,1
x + c(j)
1,2
x2 + · · · . . . 1 pj(x) = c(j)
ej,1
x + c(j)
ej,2
x2 + · · · xej−1 (pj(x))2 = c(j)
ej+1,1
x + c(j)
ej+1,2
x2 + · · · . . . (Sobol’ 1967; Niederreiter 1988; Tezuka 1993)
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 17 / 61
All matrices Cj ∈ FN×N
2
are upper triangular and generate a digital (t, s)-sequence with t = (e1 − 1) + · · · + (es − 1). (I used a C implementation for this sequence in at least more than 58636 dimensions due to Tomohiko Hironaka.) Figure: 2D projections of the first 26 points of the Niederreiter sequence.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 18 / 61
Let p ∈ F2[x] be irreducible with deg(p) = m Let q = (q1, . . . , qs) ∈ (F2[x])s with deg(qj) < m.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 19 / 61
Let p ∈ F2[x] be irreducible with deg(p) = m Let q = (q1, . . . , qs) ∈ (F2[x])s with deg(qj) < m. For each j, Cj is given by the square Hankel matrix Cj = a(j)
1
a(j)
2
· · · a(j)
m
a(j)
2
a(j)
3
. . . a(j)
m+1
. . . . . . ... . . . a(j)
m
a(j)
m+1
. . . a(j)
2m−1
∈ Fm×m
2
where a(j)
1 , a(j) 2 , . . . are the coefficients of the Laurent series
qj(x) p(x) = a(j)
1
x + a(j)
2
x2 + · · · .
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 19 / 61
Let p ∈ F2[x] be irreducible with deg(p) = m Let q = (q1, . . . , qs) ∈ (F2[x])s with deg(qj) < m. For each j, Cj is given by the square Hankel matrix Cj = a(j)
1
a(j)
2
· · · a(j)
m
a(j)
2
a(j)
3
. . . a(j)
m+1
. . . . . . ... . . . a(j)
m
a(j)
m+1
. . . a(j)
2m−1
∈ Fm×m
2
where a(j)
1 , a(j) 2 , . . . are the coefficients of the Laurent series
qj(x) p(x) = a(j)
1
x + a(j)
2
x2 + · · · . The resulting digital net is called a polynomial lattice point set P(p, q). Usually the vector q is constructed by a (fast) computer search algorithm (Nuyens & Cools, 2006;
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 19 / 61
Let p ∈ F2[x] be irreducible with deg(p) = m Let q = (q1, . . . , qs) ∈ (F2[x])s with deg(qj) < m. For each j, Cj is given by the square Hankel matrix Cj = a(j)
1
a(j)
2
· · · a(j)
m
a(j)
2
a(j)
3
. . . a(j)
m+1
. . . . . . ... . . . a(j)
m
a(j)
m+1
. . . a(j)
2m−1
∈ Fm×m
2
where a(j)
1 , a(j) 2 , . . . are the coefficients of the Laurent series
qj(x) p(x) = a(j)
1
x + a(j)
2
x2 + · · · . The resulting digital net is called a polynomial lattice point set P(p, q). Usually the vector q is constructed by a (fast) computer search algorithm (Nuyens & Cools, 2006; P. Kritzer, this afternoon!).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 19 / 61
QMC and digital nets/sequences Classical QMC Higher order QMC Richardson extrapolation and QMC Application 1: Truncation of higher order nets and sequences Application 2: Extrapolated polynomial lattice rules
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 20 / 61
In some applications, such as PDEs with random coefficients, f can be smooth. A proper design of QMC point sets enables higher order convergence of the integration error than O(1/N) as expected from the KH inequality. So far, QMC point sets achieving higher order convergence for non-periodic smooth functions are
1 Higher order digital nets/sequences (Dick, 2008; ...), and 2 Tent-transformed lattice point sets (Hickernell, 2002; ...). Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 21 / 61
In some applications, such as PDEs with random coefficients, f can be smooth. A proper design of QMC point sets enables higher order convergence of the integration error than O(1/N) as expected from the KH inequality. So far, QMC point sets achieving higher order convergence for non-periodic smooth functions are
1 Higher order digital nets/sequences (Dick, 2008; ...), and 2 Tent-transformed lattice point sets (Hickernell, 2002; ...).
In this talk, I will focus on higher order digital nets/sequences. The contents of this section are mostly developed by Dick (2008). Please refer to a recent review by G. & Suzuki (arXiv:1903.12353).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 21 / 61
Let α ∈ N. Let t be an integer such that, for any choice 1 ≤ dj,vj < · · · < dj,1 ≤ αm, 0 ≤ vj ≤ αm, 1 ≤ j ≤ s, with
s
∑
j=1 min(vj,α)
∑
i=1
dj,i = αm − t, the d1,v1, . . . , d1,1-th rows of C1 . . . the ds,vs, . . . , ds,1-th rows of Cs are linearly independent over F2. P is called an order α digital (t, m, s)-net.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 22 / 61
Order α digital (t, m, s)-nets hold equi-distribution properties: union
later visually).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 23 / 61
Order α digital (t, m, s)-nets hold equi-distribution properties: union
later visually). Let t be an integer such that, for any αm ≥ t, the first 2m points of S are an order α digital (t, m, s)-net. S is called an order α digital (t, s)-sequence.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 23 / 61
Define Dα : [0, 1)α → [0, 1) by x1 = (0.ξ(1)
1 ξ(1) 2 ξ(1) 3
. . .)2 x2 = (0.ξ(2)
1 ξ(2) 2 ξ(2) 3
. . .)2 . . . xα = (0.ξ(α)
1
ξ(α)
2
ξ(α)
3
. . .)2 → (0. ξ(1)
1 ξ(2) 1
. . . ξ(α)
1
ξ(1)
2 ξ(2) 2
. . . ξ(α)
2
. . .)2.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 24 / 61
Define Dα : [0, 1)α → [0, 1) by x1 = (0.ξ(1)
1 ξ(1) 2 ξ(1) 3
. . .)2 x2 = (0.ξ(2)
1 ξ(2) 2 ξ(2) 3
. . .)2 . . . xα = (0.ξ(α)
1
ξ(α)
2
ξ(α)
3
. . .)2 → (0. ξ(1)
1 ξ(2) 1
. . . ξ(α)
1
ξ(1)
2 ξ(2) 2
. . . ξ(α)
2
. . .)2. For x ∈ [0, 1)αs, let Dα(x) = (Dα(x1, . . . , xα), Dα(xα+1, . . . , x2α), . . . , Dα(xα(s−1)+1, . . . , xαs)) ∈ [0, 1)s.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 24 / 61
Define Dα : [0, 1)α → [0, 1) by x1 = (0.ξ(1)
1 ξ(1) 2 ξ(1) 3
. . .)2 x2 = (0.ξ(2)
1 ξ(2) 2 ξ(2) 3
. . .)2 . . . xα = (0.ξ(α)
1
ξ(α)
2
ξ(α)
3
. . .)2 → (0. ξ(1)
1 ξ(2) 1
. . . ξ(α)
1
ξ(1)
2 ξ(2) 2
. . . ξ(α)
2
. . .)2. For x ∈ [0, 1)αs, let Dα(x) = (Dα(x1, . . . , xα), Dα(xα+1, . . . , x2α), . . . , Dα(xα(s−1)+1, . . . , xαs)) ∈ [0, 1)s. For a digital (t, m, αs)-net P, we write Dα(P) = {Dα(x) | x ∈ P}.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 24 / 61
Let P be a digital (t, m, αs)-net with C1, . . . , Cαs ∈ Fm×m
2
. We write
C1 = c(1)
1
. . . c(1)
m
, C2 = c(2)
1
. . . c(2)
m
, . . . , Cα = c(α)
1
. . . c(α)
m
, . . . .
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 25 / 61
Let P be a digital (t, m, αs)-net with C1, . . . , Cαs ∈ Fm×m
2
. We write
C1 = c(1)
1
. . . c(1)
m
, C2 = c(2)
1
. . . c(2)
m
, . . . , Cα = c(α)
1
. . . c(α)
m
, . . . .
Dα(P) is a digital net with D1, . . . , Ds ∈ Fαm×m
2
where
D1 = c(1)
1
c(2)
1
. . . c(α)
1
. . . c(1)
m
c(2)
m
. . . c(α)
m
, D2 = c(α+1)
1
c(α+2)
1 .
. . c(2α)
1.
. . c(α+1)
m
c(α+2)
m
. . . c(2α)
m
, . . . .
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 25 / 61
For a digital (t, m, αs)-net P, Dα(P) is an order α digital (t′, m, s)-net with t′ ≤ α min { m, t + ⌊s(α − 1) 2 ⌋} . For a digital (t, αs)-sequences S, Dα(S) is an order α digital (t′, s)-sequences with t′ ≤ αt + sα(α − 1) 2 .
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 26 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 27 / 61
Let p ∈ F2[x] be irreducible with deg(p) = m, and let q = (q1, . . . , qαs) ∈ (F2[x])αs with deg(qj) < m. An interlaced polynomial lattice point set is just Dα(P(p, q)).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 28 / 61
Let p ∈ F2[x] be irreducible with deg(p) = m, and let q = (q1, . . . , qαs) ∈ (F2[x])αs with deg(qj) < m. An interlaced polynomial lattice point set is just Dα(P(p, q)). The vector q can be constructed component by component. In the simplest case, the necessary construction cost is of O(αsN log N) with O(N) memory (G. & Dick, 2015; G., 2015). In applications to PDEs with random coefficients, the criterion sometimes becomes a bit complicated, requiring O(αsN log N + α2s2N) construction cost with O(αsN) memory (Dick, Kuo, Le Gia, Nuyens & Schwab, 2014).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 28 / 61
QMC and digital nets/sequences Classical QMC Higher order QMC Richardson extrapolation and QMC Application 1: Truncation of higher order nets and sequences Application 2: Extrapolated polynomial lattice rules
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 29 / 61
For k = (. . . κ1κ0)2 ∈ N0, the k-th Walsh function is defined by walk(x) = (−1)κ0ξ1+κ1ξ2+···, where x = (0.ξ1ξ2 . . .)2 ∈ [0, 1), unique in the sense that infinitely many ξi are equal to 0.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 30 / 61
For k = (. . . κ1κ0)2 ∈ N0, the k-th Walsh function is defined by walk(x) = (−1)κ0ξ1+κ1ξ2+···, where x = (0.ξ1ξ2 . . .)2 ∈ [0, 1), unique in the sense that infinitely many ξi are equal to 0. For s ≥ 1 and k = (k1, . . . , ks) ∈ Ns
0, the k-th Walsh function is
defined by walk(x) =
s
∏
j=1
walkj(xj).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 30 / 61
Figure: The k-th Walsh functions for k = 0, 1, 2, 3
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 31 / 61
Figure: The k-th Walsh functions for k = 4, 5, 6, 7
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 32 / 61
Every Walsh function is a piecewise constant function.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 33 / 61
Every Walsh function is a piecewise constant function. Importantly the system of Walsh functions {walk | k ∈ Ns
0} is a
complete orthonormal basis in L2([0, 1)s). Thus we have a Walsh series of f : ∑
k∈Ns
ˆ f (k)walk(x) where ˆ f (k) = ∫
[0,1)s f (x)walk(x) dx.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 33 / 61
For a digital net P with C1, . . . , Cs ∈ Fn×m
2
, the dual net is defined by P⊥ = k ∈ Ns
1
κ1,0 . . . κ1,n−1 ⊕ · · · ⊕ C ⊤
s
κs,0 . . . κs,n−1 = 0 ∈ Fm
2
, where we write kj = (. . . κj,1κj,0)2.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 34 / 61
For a digital net P with C1, . . . , Cs ∈ Fn×m
2
, the dual net is defined by P⊥ = k ∈ Ns
1
κ1,0 . . . κ1,n−1 ⊕ · · · ⊕ C ⊤
s
κs,0 . . . κs,n−1 = 0 ∈ Fm
2
, where we write kj = (. . . κj,1κj,0)2.
Trivial fact
k ∈ P⊥ if 2n | k, i.e., 2n | kj for all j = 1, . . . , s.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 34 / 61
Most of the Walsh functions can be integrated exactly: 1 2m ∑
x∈P
walk(x) = { 1 if k ∈ P⊥,
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 35 / 61
Most of the Walsh functions can be integrated exactly: 1 2m ∑
x∈P
walk(x) = { 1 if k ∈ P⊥,
I will also use the following fact: 1 2n
2n−1
∑
i=0
walk ( i 2n ) = 1 2n ∑
ξ0,...,ξn−1∈{0,1} n
∏
i=1
(−1)κi−1ξi = 1 2n
n
∏
i=1
∑
ξi∈{0,1}
(−1)κi−1ξi = { 1 if κ0 = . . . = κn−1 = 0, i.e., if 2n | k,
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 35 / 61
For a digital net P with C1, . . . , Cs ∈ Fn×m
2
, we have QP(f ) − I(f ) = 1 2m ∑
x∈P
∑
k∈Ns
ˆ f (k)walk(x) − ˆ f (0)
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 36 / 61
For a digital net P with C1, . . . , Cs ∈ Fn×m
2
, we have QP(f ) − I(f ) = 1 2m ∑
x∈P
∑
k∈Ns
ˆ f (k)walk(x) − ˆ f (0) = ∑
k∈Ns
ˆ f (k) 1 2m ∑
x∈P
walk(x) − ˆ f (0)
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 36 / 61
For a digital net P with C1, . . . , Cs ∈ Fn×m
2
, we have QP(f ) − I(f ) = 1 2m ∑
x∈P
∑
k∈Ns
ˆ f (k)walk(x) − ˆ f (0) = ∑
k∈Ns
ˆ f (k) 1 2m ∑
x∈P
walk(x) − ˆ f (0) = ∑
k∈P⊥\{0}
ˆ f (k)
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 36 / 61
For a digital net P with C1, . . . , Cs ∈ Fn×m
2
, we have QP(f ) − I(f ) = 1 2m ∑
x∈P
∑
k∈Ns
ˆ f (k)walk(x) − ˆ f (0) = ∑
k∈Ns
ˆ f (k) 1 2m ∑
x∈P
walk(x) − ˆ f (0) = ∑
k∈P⊥\{0}
ˆ f (k) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + ∑
k∈P⊥\{0} 2n|k
ˆ f (k)
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 36 / 61
For a digital net P with C1, . . . , Cs ∈ Fn×m
2
, we have QP(f ) − I(f ) = 1 2m ∑
x∈P
∑
k∈Ns
ˆ f (k)walk(x) − ˆ f (0) = ∑
k∈Ns
ˆ f (k) 1 2m ∑
x∈P
walk(x) − ˆ f (0) = ∑
k∈P⊥\{0}
ˆ f (k) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + ∑
k∈P⊥\{0} 2n|k
ˆ f (k) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + ∑
k∈Ns
0\{0}
2n|k
ˆ f (k).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 36 / 61
QP(f ) − I(f ) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + ∑
k∈Ns
0\{0}
2n|k
ˆ f (k) The second term is...
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 37 / 61
QP(f ) − I(f ) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + ∑
k∈Ns
0\{0}
2n|k
ˆ f (k) The second term is... ∑
k∈Ns
0\{0}
2n|k
ˆ f (k) = ∑
k∈Ns
ˆ f (k) 1 2ns
2n−1
∑
i1,...,is=0
walk ( i1 2n , . . . , is 2n ) − ˆ f (0) = 1 2ns
2n−1
∑
i1,...,is=0
∑
k∈Ns
ˆ f (k)walk ( i1 2n , . . . , is 2n ) − I(f ) = 1 2ns
2n−1
∑
i1,...,is=0
f ( i1 2n , . . . , is 2n ) − I(f ) the integration error for a regular grid!
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 37 / 61
QP(f ) − I(f ) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + 1 2ns
2n−1
∑
i1,...,is=0
f ( i1 2n , . . . , is 2n ) − I(f )
Figure: Hammersley point set for m = n = 6 with regular grid
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 38 / 61
If f has partial mixed derivatives up to order α in each variable, 1 2ns
2n−1
∑
i1,...,is=0
f ( i1 2n , . . . , is 2n ) − I(f ) = c1(f ) 2n + · · · + cα−1(f ) 2(α−1)n + O(2−αn), where cτ(f ) = ∑
τ1,...,τs≥0 τ1+···+τs=τ
I(f (τ1,...,τs))
s
∏
j=1 τj>0
bτj with bi denoting the i-th Bernoulli number divided by i!. For a detailed proof of this claim, see Dick, G. & Yoshiki (2019).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 39 / 61
Using this result, we have QP(f ) − I(f ) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + c1(f ) 2n + · · · + cα−1(f ) 2(α−1)n + O(2−αn).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 40 / 61
Using this result, we have QP(f ) − I(f ) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + c1(f ) 2n + · · · + cα−1(f ) 2(α−1)n + O(2−αn). Consider high precision, say n = αm. Noting that N = 2m, the first term becomes dominant since QP(f ) − I(f ) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + c1(f ) Nα + · · · + cα−1(f ) Nα(α−1) + O(N−α2). Remark: For functions with dominating mixed smoothness α, the integration error cannot be better than O(N−α) in general.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 40 / 61
Consider the case n = m. Let us simplify the situation for a moment and consider the following expansions for successive values of m:
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 41 / 61
Consider the case n = m. Let us simplify the situation for a moment and consider the following expansions for successive values of m: I (1)
m−α+1 := c0 +
c1 2m−α+1 + c2 22(m−α+1) + · · · + cα−1 2(α−1)(m−α+1) . . . I (1)
m−1 := c0 +
c1 2m−1 + c2 22(m−1) + · · · + cα−1 2(α−1)(m−1) I (1)
m
:= c0 + c1 2m + c2 22m + · · · + cα−1 2(α−1)m Problem: Estimate c0 from values of I (0)
m−α+1, . . . , I (0) m
as precisely as possible (without knowing c1, . . . , cα−1).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 41 / 61
Do the following recursion: For τ = 1, . . . , α − 1, compute I (τ+1)
n
:= 2τI (τ)
n
− I (τ)
n−1
2τ − 1 for n = m − α + τ + 1, . . . , m Schematically this recursion goes like
I (1)
m−α+1
I (1)
m−α+2
· · · I (1)
m−1
I (1)
m
↘ ↓ ↘ · · · ↓ ↘ ↓ I (2)
m−α+2
· · · I (2)
m−1
I (2)
m
↘ · · · ↓ ↘ ↓ ... . . . I (α−1)
m−1
I (α−1)
m
↘ ↓ I (α)
m
We will end up with I (α)
m
= c0. In reality, we have other terms...
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 42 / 61
For m − α < n ≤ m, let Pn be a digital net with C1, . . . , Cs ∈ Fn×n
2
. Here we do NOT require Pm−α+1 ⊂ Pm−α+2 ⊂ · · · ⊂ Pm. Richardson extrapolation can push out the intermediate terms of the expansion QPn(f ) − I(f ) = ∑
k∈P⊥
n \{0}
2n∤k
ˆ f (k) + c1(f ) 2n + · · · + cα−1(f ) 2(α−1)n + O(2−αn) without knowing c1(f ), . . . , cα−1(f ).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 43 / 61
This way we arrive at an extrapolated QMC rule which satisfies
m
∑
n=m−α+1
wnQPn(f ) − I(f ) =
m
∑
n=m−α+1
wn ∑
k∈P⊥
n \{0}
2n∤k
ˆ f (k) + O(2−αm), where wn’s depend only on α,
m
∑
n=m−α+1
wn = 1 and
m
∑
n=m−α+1
|wn| ≤
α−1
∏
i=1
2i + 1 2i − 1. NOTE: The total number of points is 2m−α+1 + · · · + 2m < 2m+1.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 44 / 61
m
∑
n=m−α+1
wnQPn(f ) − I(f ) =
m
∑
n=m−α+1
wn ∑
k∈P⊥
n \{0}
2n∤k
ˆ f (k) + O(2−αm), If we have digital nets with C1, . . . , Cs ∈ Fn×n
2
which satisfy ∑
k∈P⊥
n \{0}
2n∤k
ˆ f (k) = O(2−(α−ε)n) with arbitrarily small ε > 0, extrapolated QMC rule achieves the almost optimal rate of convergence for smooth functions.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 45 / 61
QMC and digital nets/sequences Classical QMC Higher order QMC Richardson extrapolation and QMC Application 1: Truncation of higher order nets and sequences Application 2: Extrapolated polynomial lattice rules
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 46 / 61
For x = (0.ξ1ξ2 . . .)2 ∈ [0, 1), define the map trm(x) := (0.ξ1ξ2 . . . ξm00 . . .)2, For a point set P ⊂ [0, 1)s, we write trm(P) = {trm(x) | x ∈ P}, where trm is applied componentwise. If P is a digital net with C1, . . . , Cs ∈ Fn×m
2
for n ≥ m, trm(P) is a digital net with upper m × m submatrices of C1, . . . , Cs.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 47 / 61
Theorem
Let P be an order α digital (t, m, s)-net. For functions with dominating mixed smoothness α ≥ 2, we have ∑
k∈(trm(P))⊥\{0} 2m∤k
ˆ f (k) = O ((log N)αs Nα ) , with N = 2m. Compare: ∑
k∈P⊥\{0}
ˆ f (k) = O ((log N)αs Nα ) but ∑
k∈(trm(P))⊥\{0}
ˆ f (k) = O ( 1 N )
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 48 / 61
Figure: Interlaced Sobol’ point sets: original (left) and after truncation (right)
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 49 / 61
Univariate test function: f (x) = x3 (log x + 0.25) . Interlaced Sobol’ sequences: If αm > 52, tr52 is applied.
5 10 15 20 25 log
2N
log
2(absolute integration error) Order 2 Sobol' Order 3 Sobol' N-2 N-3
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 50 / 61
QP(f ) − I(f ) = ∑
k∈P⊥\{0} 2n∤k
ˆ f (k) + c1(f ) 2n + · · · + cα−1(f ) 2(α−1)n + O(2−αn). Extrapolation applied to truncated interlaced Sobol’ sequences: order 2 (left) and order 3 (right)
5 10 15 20 25 log
2N
log
2(absolute integration error) Im (1) Im (2) N-1 N-2
5 10 15 20 25 log
2N
log
2(absolute integration error) Im (1) Im (2) Im (3) N-1 N-2 N-3
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 51 / 61
Test function: f (x) =
s
∏
j=1
[ 1 + γj ( xc
j −
1 c + 1 )] , with s = 100, c = 1.3 and γj = j−2.
5 10 15 20 log
2N
log
2(absolute integration error) Im (2) Jm (2) Order 2 Sobol' N-2
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 52 / 61
QMC and digital nets/sequences Classical QMC Higher order QMC Richardson extrapolation and QMC Application 1: Truncation of higher order nets and sequences Application 2: Extrapolated polynomial lattice rules
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 53 / 61
Theorem
Let p ∈ F2[x] be irreducible with deg(p) = m. Component-by-component algorithm based on a computable criterion can find good q ∈ (F2[x])s which satisfies ∑
k∈P(p,q)⊥\{0} 2m∤k
ˆ f (k) = O(2−(α−ε)m) with arbitrarily small ε > 0, for functions with dominating mixed smoothness α. Here “a computable criterion” has been provided by Baldeaux, Dick, Leobacher, Nuyens & Pillichshammer (2012), which stems from the decay of Walsh coefficients for smooth functions.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 54 / 61
Since we do NOT require Pm−α+1 ⊂ Pm−α+2 ⊂ · · · ⊂ Pm, polynomial lattice point set of each size can be constructed independently. Construction cost of each is of O((s + α)n2n). In total, the cost will be of order
m
∑
n=m−α+1
(s + α)n2n ≤ (s + α)N log2 N, where N = 2m−α+1 + · · · + 2m. This is better than interlaced polynomial lattice point sets for which we need O(αsN log N).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 55 / 61
In some applications, we want to estimate the integral of the form ∫
[0,1)s f (Ax) dx.
In terms of computational cost, computing Ax can be dominant. Even if A does not have any special structure, this computation can be made fast by using (polynomial) lattice point sets (Dick, Kuo, Le Gia, Schwab, 2015). This strategy does not work for interlaced polynomial lattice rules, whereas it does work for extrapolated polynomial lattice rules.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 56 / 61
Test function: f (x) =
s
∏
j=1
[ 1 + γj 1 + γjx2
j
] , with s = 100 and γj = j−2. Extrapolated rule with α = 2 (red), interlaced rule with α = 2 (green)
4 6 8 10 12 14 16 log
2N
10-12 10-10 10-8 10-6 10-4 10-2 100
Absolute error
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 57 / 61
Test function: f (x) =
s
∏
j=1
[ 1 + γj 1 + γjx2
j
] , with s = 100 and γj = j−2. Extrapolated rule with α = 3 (red), interlaced rule with α = 3 (green)
4 6 8 10 12 14 16 log
2N
10-12 10-10 10-8 10-6 10-4 10-2 100
Absolute error
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 58 / 61
As far as I know, this is the first attempt to apply an extrapolation technique to QMC. Roughly speaking, Richardson extrapolation is shown useful for reducing necessary precision significantly. Two results are obtained so far
1
truncation of higher order digital nets/sequences: high-order convergence can be recovered by applying Richardson extrapolation.
2
introduction of extrapolated polynomial lattice rules: without relying on interlacing, we can construct high-order convergent QMC-based rules.
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 59 / 61
As far as I know, this is the first attempt to apply an extrapolation technique to QMC. Roughly speaking, Richardson extrapolation is shown useful for reducing necessary precision significantly. Two results are obtained so far
1
truncation of higher order digital nets/sequences: high-order convergence can be recovered by applying Richardson extrapolation.
2
introduction of extrapolated polynomial lattice rules: without relying on interlacing, we can construct high-order convergent QMC-based rules.
Do we have another good application of extrapolation? What about lattice rules? Can we randomize extrapolated QMC rule? Partially yes, if the same randomly chosen digital shift is applied. What about scrambling?
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 59 / 61
If you are interested, please refer to
lattice rules, SIAM Journal on Numerical Analysis, 57(1):44-69, 2019. TG: Richardson extrapolation allows truncation of higher order digital nets and sequences, IMA Journal of Numerical Analysis, online (arXiv:1805.09490).
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 60 / 61
Takashi Goda (U. Tokyo) Extrapolation and HOQMC MCM 2019 61 / 61