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Research Article

A search for short-period Tausworthe generators over Fb with application to Markov chain quasi-Monte Carlo

Pages 2040-2062 | Received 31 Mar 2023, Accepted 25 Jan 2024, Published online: 07 Feb 2024

Abstract

A one-dimensional sequence u0,u1,u2,[0,1) is said to be completely uniformly distributed (CUD) if overlapping s-blocks (ui,ui+1,,ui+s1), i=0,1,2,, are uniformly distributed for every dimension s1. This concept naturally arises in Markov chain quasi-Monte Carlo (QMC). However, the definition of CUD sequences is not constructive, and thus there remains the problem of how to implement the Markov chain QMC algorithm in practice. Harase [A table of short-period Tausworthe generators for Markov chain quasi-Monte Carlo. J Comput Appl Math. 2021;384:Paper No. 113136, 12.] focussed on the t-value, which is a measure of uniformity widely used in the study of QMC, and implemented short-period Tausworthe generators (i.e. linear feedback shift register generators) over the two-element field F2 that approximate CUD sequences by running for the entire period. In this paper, we generalize a search algorithm over F2 to that over arbitrary finite fields Fb with b elements and conduct a search for Tausworthe generators over Fb with t-values zero (i.e. optimal) for dimension s = 3 and small for s 4, especially in the case where b = 3, 4, and 5. We provide a parameter table of Tausworthe generators over F4, and report a comparison between our new generators over F4 and existing generators over F2 in numerical examples using Markov chain QMC.

1. Introduction

We study the problem of calculating the expectation Eπ[f(X)] using Markov chain Monte Carlo (MCMC) methods for a target distribution π on a state space X and some function f:XR, where X is a π-distributed random variable on X. We are interested in improving the accuracy by replacing IID uniform random points with quasi-Monte Carlo (QMC) points. However, traditional QMC points (e.g.Sobol', Niederreiter–Xing, Faure, and Halton) are not straightforwardly applicable. Motivated by a simulation study conducted by Liao [Citation1], Owen and Tribble [Citation2] and Chen et al. [Citation3] theoretically showed that Markov chain QMC remains consistent if the driving sequences are completely uniformly distributed (CUD). A one-dimensional sequence u0,u1,u2, [0,1) is said to be CUD if overlapping s-blocks (ui,ui+1,,ui+s1), i=0,1,2,, are uniformly distributed for every dimension s1. Levin [Citation4] proposed some constructions of CUD sequences, but they are not suitable to implement. Thus, there remains the problem of how we implement the Markov chain QMC algorithm, in particular, how we construct suitable driving sequences in practice.

Tribble and Owen [Citation5] and Tribble [Citation6] proposed an implementation method to obtain point sets that approximate CUD sequences by using short-period linear congruential and Tausworthe generators (i.e.linear feedback shift register generators over the two-element field F2:={0,1}) that run for the entire period. Moreover, Chen et al. [Citation7] implemented short-period Tausworthe generators in terms of the equidistribution property, which is a coarse measure of uniformity in the area of pseudorandom number generation [Citation8].

In a previous study, Harase [Citation9] implemented short-period Tausworthe generators over F2 that approximate CUD sequences in terms of the t-value, which is a central measure in the theory of (t,m,s)-nets and (t,s)-sequences. The key technique was to use a polynomial analogue of Fibonacci numbers and their continued fraction expansion, which was originally proposed by Tezuka and Fushimi [Citation10]. More precisely, we can view Tausworthe generators as a polynomial analogue of Korobov lattice rules with a denominator polynomial p(x)F2[x] and a numerator polynomial q(x)F2[x] (cf. [Citation11,Citation12]), and hence, the t-value is zero (i.e. optimal) for dimension s = 2 if and only if the partial quotients in the continued fraction of q(x)/p(x) are all of degree one [Citation10,Citation13]. By enumerating such pairs of polynomials (p(x),q(x)) efficiently, Harase [Citation9] conducted an exhaustive search of Tausworthe generators over F2 with t-values zero for s = 2 and small (but not zero) for s3, and demonstrated the effectiveness in numerical examples using Gibbs sampling.

From the theoretical and practical perspective, the most interesting case is the t-value zero. However, Kajiura et al. [Citation14] proved that there exists no maximal-period Tausworthe generator over F2 with t-value zero for s = 3. In fact, in finite fields Fb of prime power order b3, we can find maximal-period Tausworthe generators with t-value zero for s = 3, for some combinations of b and m.

In this paper, our aim is to conduct an exhaustive search of maximal-period Tausworthe generators over Fb with t-values zero for dimension s = 3, in addition to s = 2, especially in the case where b = 3, 4, and 5. For this purpose, we generalize the search algorithms of Tezuka and Fushimi [Citation10] and Harase [Citation9] over F2 to those over Fb. We provide a parameter table of Tausworthe generators over F4 with t-values zero for s = 3 and small for s4 to implement the Markov chain QMC algorithm. Accordingly, we report a comparison between our new Tausworthe generators over F4 and existing generators [Citation7,Citation9] over F2 in numerical examples using Markov chain QMC.

The rest of this paper is organized as follows: In Section 2, we recall the definitions of CUD sequences, Tausworthe generators, and the t-value, and recall a connection between the t-value and continued fraction expansion. In Section 3, we discuss our main results: In Section 3.1, we investigate the number of polynomials q(x) for which the partial quotients of the continued fraction expansion of q(x)/p(x) all have degree one for a given irreducible polynomial p(x) over Fb. In Section 3.2, we describe a search algorithm of Tausworthe generators over Fb. In Section 3.3, we conduct an exhaustive search in the case where b = 3, 4, and 5, and provide tables. In Section 4, we present numerical examples, such as Gibbs sampling and a simulation of a queuing system, in which both Tausworthe generators over F2 and F4 optimized in terms of the t-value perform comparable to or better than Tausworthe generators [Citation7] optimized in terms of the equidistribution property. In Section 5, we conclude this paper.

2. Preliminaries

We refer the reader to [Citation8,Citation9,Citation11,Citation13,Citation15] for general information.

2.1. Discrepancy and completely uniformly distributed sequences

Let Ps={u0,u1,,uN1}[0,1)s be an s-dimensional point set of N elements in the sense of a multiset. Let us recall the definition of discrepancy DNs(Ps) as a measure of uniformity.

Definition 2.1

Discrepancy

For a point set Ps={u0,u1,,uN1}[0,1)s, the (star) discrepancy is defined as DNs(Ps):=supJ|ν(J;Ps)Nvol(J)|,where the supremum is taken over all intervals J of the form j=1s[0,tj) for 0<tj1, ν(J;Ps) denotes the number of i with 0iN1 for which uiJ, and vol(J):=j=1stj denotes the volume of J.

We define the CUD property for a one-dimensional sequence {ui}i=0 in [0,1), which is known as one of the definitions of random number sequences in [Citation16, Chapter 3.5].

Definition 2.2

CUD sequences

A one-dimensional infinite sequence u0,u1, u2, [0,1) is said to be completely uniformly distributed (CUD) if overlapping s-blocks satisfy limNDNs((u0,,us1),(u1,,us),,(uN1,,uN+s2))=0for every dimension s1; in short, the sequence of s-blocks (ui,,ui+s1), i=0,1,, is uniformly distributed in [0,1)s for every dimension s1.

In the study of Markov chain QMC, it is desirable that DNs converges to zero as fast as possible if N (cf. [Citation17,Citation18]). As a necessary and sufficient condition of Definition 2.2, Chentsov [Citation19] proved the following theorem:

Theorem 2.3

[Citation19]

A one-dimensional infinite sequence u0,u1, u2, [0,1) is CUD if and only if non-overlapping s-blocks satisfy (1) limNDNs((u0,,us1),(us,,u2s1),,(u(N1)s,,uNs1))=0(1) for every dimension s1.

We thus use a sequence {ui}i=0 in [0,1) for Markov chain QMC in this order.

2.2. Tausworthe generators over Fb

Let Fb be a finite field with b elements, where b is a prime power, and perform addition and multiplication over Fb. We define Tausworhe generators over Fb, which are usually defined over F2 [Citation8,Citation20–22].

Definition 2.4

Tausworthe generators over Fb

Let p(x):=xmc1xm1cm1xcmFb[x], where cm0. We consider the linear recurrence over Fb given by (2) ai:=c1ai1++cmaimFb,i=0,1,2,,(2) whose characteristic polynomial is p(x). Let σ be a step size and w a digit number. We define the output ui[0,1) at step i as (3) ui:=j=0w1η(a+j)bj1[0,1),i=0,1,2,,(3) where η:FbZb:={0,1,,b1} is a bijection with η(0)=0. If p(x) is primitive, (a0,,am1)(0,,0), 0<σ<bm1, and gcd(σ,bm1)=1, then the sequences (Equation2) and (Equation3) are both purely periodic with maximal period bm1. Throughout this paper, we assume these maximal-period conditions. We call a generator in such a class a Tausworthe generator over Fb (or a linear feedback shift register generator over Fb).

Similar to the case of F2, Tausworthe generators over Fb can be viewed as a polynomial analogue of linear congruential generators (LCGs): Xi(x):=q(x)Xi1(x)modp(x),Xi(x)/p(x)=ax1+a+1x2+a+2x3+Fb((x1))where Xi(x)Fb[x],i=0,1,2,, is a sequence of polynomials, p(x),q(x)Fb[x] represent a modulus and multiplier, respectively, and the step size σ satisfies q(x)=xσmodp(x) and 0<σ<bm1. Then, the output ui in (Equation3) is expressed as ui=νw(Xi(x)/p(x)), where a map νw:Fb((x1))[0,1) is given by j=j0kjxj1j=max{0,j0}w1η(kj)bj1, which transforms a formal power series in Fb((x1)) into a b-adic expansion with w digits in [0,1).

Moreover, similar to LCGs, Tausworthe generators have a lattice structure. Let N:=bm. We consider a sequence (4) u0,u1,,uN2,uN1=u0,u1,[0,1)(4) generated by a Tausworthe generator (Equation3) with period length N−1. We set s-dimensional overlapping points ui=(ui,,ui+s1) for i=0,1,,N2, that is, u0=(u0,,us1),u1=(u1,,us),,uN2=(uN2,u0,,us2). We construct a QMC point set (5) Ps={0}{ui}i=0N2[0,1)s,(5) adding the origin {0}. Note that the cardinality is #Ps=bm. Then, a point set Ps in (Equation5) can be viewed as a polynomial analogue of Korobov lattice rules: (6) Ps={νw(h(x)p(x)(1,q(x),q(x)2,,q(x)s1))| deg(h(x))<m},(6) where the map νw is applied component-wise and m=deg(p(x)); see [Citation11,Citation12] for details.

A pair of polynomials (p(x),q(x)) is a parameter set of Tausworthe generators. Thus, in accordance with Definition 2.2, we would like to find a pair of polynomials (p(x),q(x)) with small discrepancy DNs(Ps) for each s1.

2.3. t-value and continued fraction expansion

A point set Ps in (Equation5) and (Equation6) generated by a Tausworthe generator (Equation3) is a digital net. Hence, we can compute the t-value, which is closely related to DNs(Ps) for N=bm.

Definition 2.5

(t,m,s)-nets

Let s1 and 0tm denote integers. A point set Ps of bm points in [0,1)s is said to be a (t,m,s)-net in base b if every interval of the form E=j=1s[rj/bdj,(rj+1)/bdj) in [0,1)s with integers dj0 and 0rj<bdj and of volume btm contains exactly bt points from Ps.

For a given dimension s, the smallest value t for which Ps is a (t,m,s)-net is said to be the t-value. For a (t,m,s)-net Ps in base b, we have an upper bound DNs(Ps)Cb,sbt(logN)s1/N, where the constant Cb,s>0 only depends on s and b; hence a small t-value is desirable. Therefore, we adopt the t-value as a measure of uniformity instead of the direct calculation of DNs(Ps) to obtain low-discrepancy point sets.

Furthermore, in the case s = 2, there is a connection between the t-value of a polynomial Korobov lattice rule (Equation6) and the continued fraction expansion of q(x)/p(x). Let q(x)/p(x) be a rational function over Fb with gcd(p(x),q(x))=1 and deg(p(x))1. Then, q(x)/p(x) has a unique regular continued fraction expansion q(x)/p(x)=Av+1(x)+1/(Av(x)+1/(Av1(x)++1/A1(x)))=[Av+1(x);Av(x),Av1(x),,A1(x)]with a polynomial part Av+1(x)Fb[x] and partial quotients Ak(x)Fb[x] satisfying deg(Ak(x))1 for 1kv. Under this condition, we put K(q/p):=max1kvdeg(Ak(x)). We have the following theorem:

Theorem 2.6

[Citation10,Citation13]

Let p(x)Fb[x] with m=deg(p(x)). Let q(x)Fb[x] with deg(q(x))<m. Suppose that gcd(p(x),q(x))=1. Then, the two-dimensional point set (7) P2={νw(h(x)p(x)(1,q(x)))| deg(h(x))<m}(7) is a (t,m,2)-net in base b with t=K(q/p)1, which is exactly the t-value. In particular, P2 has the t-value zero if and only if K(q/p)=1, so deg(Ak(x))=1 for all 1kv and v = m.

Using the continued fraction expansion based on the above theorem, Tezuka and Fushimi [Citation10] proposed an algorithm to search for Tausworthe generators over F2 having pairs of polynomials (p(x),q(x)) with t-value zero for s = 2 and small for s3. Harase [Citation9] recently indicated that their technique is applicable to QMC points that approximate CUD sequences and conducted an exhaustive search over F2 removing some conditions.

Remark 2.1

In previous studies, L'Ecuyer and Lemieux [Citation12,Citation23] constructed short-period Tausworthe generators for QMC numerical integration in general-purpose use. To assess the uniformity of QMC points, they took into account the quality of the projections and developed several figures of merit using the equidistribution property, which are often used for selecting pseudorandom number generators with very long period [Citation20,Citation21,Citation24]. These figures of merit are implemented in LatNet Builder [Citation25], a software tool to find good parameters, and are probably useful in our study, but they are not so closely related to the discrepancy DNs as the t-value because the condition of the equidistribution property is sometimes weaker than that of the t-value. The CUD sequences are defined via the discrepancy DNs in Definition 2.1, so we adopt the t-value as a primary criterion. We also note that our study is aimed at an application to Markov chain QMC, not usual pseudorandom number generation.

3. Main results

In the theory of (t,m,s)-nets and (t,s)-sequences, the most interesting case is the t-value zero. Kajiura et al. [Citation14] proved that there exists no maximal-period Tausworthe generator over F2 with t-value zero for dimension s = 3. Thus, we conduct a search of Tausworthe generators over Fb with t-value zero for s = 3, especially in the case where b = 3, 4, and 5.

3.1. Orthogonal multiplicity

To obtain a pair of polynomials (p(x),q(x)) with t-value zero for s=3, it is necessary to satisfy at least K(q/p)=1 in Theorem 2.6. Thus, we first investigate how many polynomials q(x) satisfying K(q/p)=1 exist for each irreducible polynomial p(x)Fb[x]. For a given irreducible p(x), we define the number M(p):=#{q(x)Fb[x] | deg(q(x))<deg(p(x)) and K(q/p)=1}.The number M(p) is called the orthogonal multiplicity of p(x) in [Citation26]. Specializing the proof for the case F2, Mesirov and Sweet [Citation27] proved that every irreducible polynomial p(x)F2[x] has exactly M(p)=2 for deg(p(x))2, that is, there exist only two polynomials q(x) for which the partial quotients of q(x)/p(x) have all degree one. Moreover, such polynomials are q(x) and its inverse element q1(x)modp(x), and hence, they yield exactly the same lattice point set Ps. This result asserts the existence of P2 with t-value zero for every irreducible polynomial p(x)F2[x] in Theorem 2.6 but also asserts that there is no degree of freedom to select such q(x) for each p(x).

In fact, in the case Fb for b3, Blackburn [Citation26] indicated that the situation is different far from the case F2. More precisely, the orthogonal multiplicities M(p) are not always the same number but are often much greater than two. Figure  shows some histograms of orthogonal multiplicities M(p) for all monic irreducible polynomials p(x)Fb[x] with deg(p(x))=m. No clear regularity as in F2 has been observed. Additionally, for arbitrary Fb with b3, it is not even known whether there exist irreducible polynomials p(x)Fb[x] with M(p)=0 in general (see Remark 3.1). Thus, using computer calculations, we checked the existence of M(p)>0 as follows:

Figure 1. Distribution of orthogonal multiplicities M(p) for all monic irreducible polynomials p(x)Fb[x] with deg(p(x))=m.

Figure 1. Distribution of orthogonal multiplicities M(p) for all monic irreducible polynomials p(x)∈Fb[x] with deg⁡(p(x))=m.

Theorem 3.1

Let Fb be a finite field with b elements. Every monic irreducible polynomial p(x)Fb with deg(p(x))=m has M(p)>0, at least under the following conditions:

  • 1m15 for b = 3;

  • 1m12 for b = 4;

  • 1m10 for b = 5.

Remark 3.1

Let p(x)Fb[x] be an irreducible polynomial over Fb. Assume that 0<deg(p(x))<b, that is, deg(p(x)) is less than the order b of Fb. Under this condition, Friesen [Citation28, Theorem 2] proved that every irreducible p(x)Fb[x] has M(p)>0, that is, every irreducible p(x) has M(p)>0 provided the order b of Fb is sufficiently large. This result is an improvement of that in the study by Blackburn [Citation26, Theorem 2]. However, the assumption deg(p(x))<b is significantly restrictive compared with the numerical results, and there has been no progress on the study of orthogonal multiplicities M(p) since Friesen's study. Thus, we numerically checked the existence of M(p)>0 only in the range required for our study.

3.2. A search algorithm using Fibonacci polynomials over Fb

Tausworthe generators associated with (p(x),q(x)) attain the t-value zero for s = 3 only if K(q/p)=1 in Theorem 2.6. Our strategy is to choose (p(x),q(x)) with t-value zero for s = 3 among pairs satisfying K(q/p)=1. Thus, we generalize the search algorithms of Tezuka and Fushimi [Citation10] and Harase [Citation9] over F2 to those over arbitrary finite fields Fb.

Recall that Fibonacci numbers Fk,k=1,2, are defined by the recurrence Fk=Fk1+Fk2, where we choose the starting values F1=0,F0=1. Then, the continued fraction expansion of the ratio of two successive Fibonacci numbers Fk1/Fk is given by Fk1/Fk=[0;1,1,,1] with partial quotients that are all one. As a polynomial analogue, we consider a sequence of polynomials Fk(x),k=1,2,, defined as (8) Fk(x)=Ak(x)Fk1(x)+Fk2(x),(8) (9) F1(x)=0,F0(x)=1,(9) (10) Ak(x)=βx+γ,(10) where βFb:=Fb{0} and γFb so that deg(Ak(x))=1. Similarly, we have the continued fraction expansion Fk1(x)/Fk(x)=[0;Ak(x),Ak1(x),,A1(x)], so K(Fk1/Fk)=1 holds. The polynomials Fk(x),k=0,1,2,, are called Fibonacci polynomials over Fb (cf. [Citation29]). Figure  shows an example of the initial part of a tree of Fibonacci polynomials over F3. Note that there exist {(b1)b}m different pairs (Fm(x),Fm1(x)) of Fibonacci polynomials over Fb. Among pairs (Fm(x),Fm1(x)), we choose a suitable pair of (p(x),q(x)) with t-values zero for s = 3 and small for s4 satisfying Definition 2.4.

Figure 2. Initial part of the tree of Fibonacci polynomials over F3.

Figure 2. Initial part of the tree of Fibonacci polynomials over F3.

We now generalize the algorithms [Citation9,Citation10] over F2 to those over Fb. Let lc(Fm(x)) denote the leading coefficient of Fm(x) and smax denote a given maximum dimensionality. Our algorithm proceeds as follows:

Before we begin our algorithm, we create a lookup table of primitive polynomials over Fb in advance to avoid repeated computation in Step 3. In Step 2, Fm(x) generated by (Equation8) is not always monic over arbitrary finite fields Fb except for F2, so it is necessary to divide Fm(x) and Fm1(x) by the leading coefficient lc(Fm(x)). In Steps 5 and 6, we compute the t-values using Gaussian elimination [Citation30]. For some combinations of b and m, (Fm(x),Fm1(x)) might not exist with t-value zero for s = 3 in Step 5. In this case, we skip Steps 6–9 and terminate the algorithm.

Remark 3.2

Tezuka and Fushimi [Citation10] and Harase [Citation9] dealt with the search algorithms that are similar to Algorithm 1 but restricted to the special case F2. We now note that there are several differences between the cases F2 and Fb for b3. With regard to Equation (Equation10), we have only two polynomials Ak(x) with degree one in the case F2, that is, Ak(x)=x or x + 1; but we have many polynomials with degree one in general cases Fb (e.g. see Figure ). Thus, the patterns of continued fraction expansions [0;Ak(x),Ak1(x),,A1(x)] drastically increase as opposite to the case F2. Moreover, every polynomial over F2 is always monic, and hence, Step 2 in Algorithm 1 is not appeared in the existing algorithms. Once again, as mentioned in Section 3.1, there are only two polynomials q(x) for which the partial quotients of q(x)/p(x) have all degree one over F2, but many polynomials q(x) with such property exist in the case Fb. Therefore, our generalization would not be straightforward and simple when we search for parameters in practice.

3.3. Specific parameters

We conduct an exhaustive search of short-period Tausworthe generators over F3, F4, and F5 using Algorithm 1. We set smax=20. If b is a prime number (i.e, b = 3 or 5), we identify Fb with Zb and set a bijection η:FbZb as the identity map. If b = 4, we set F4={0,1,α,α2} with α2=α+1 and α3=1 and set a bijection η:F4Z4 consisting of 00,11,α2,α2=α+13.Table  summarizes the number of maximal-period Tausworthe generators with t-value zero for dimension s = 3. We observe that a very few pairs of polynomials (p(x),q(x)) exist over F3; however, many pairs exist over F4 and F5, at least within the range described in the table. From the viewpoint of applications, we tabulate specific parameters of pairs of polynomials (p(x),q(x)) over F4 and step sizes σ for 2m11 in Table . In Table , each first and second row shows the coefficients of p(x) and q(x) respectively; for example, α2 1 1 means α2+x+x2. Table  shows the t-values in the range of 1s20. Throughout our search, we find several parameters with the same t-values, so we choose one from them.

Table 1. Number of pairs of polynomials (p(x),q(x)) that attain maximal-period Tausworthe generators with t-value zero for dimension s=3.

Table 2. Specific parameters of pairs of polynomials (p(x),q(x)) over F4 and step sizes σ.

Table 3. The t-values for good Tausworthe generators over F4.

For the implementation, we introduce a reasonably fast algorithm to generate the output values (Equation3) from Tausworthe generators over F4. Assume that mw. Let x~i=(a,a+1,,a+m1,a+m,,a+w1)Fbw denote a state vector at step i ( means ‘transposed’). We can define a state-space representation x~i+1=B~x~i, where (11) B~=(b~0b~1b~m100)(11) is a w×w state transition matrix in Fb that consists of m column vectors b~0,b~1,, b~m1Fbw and wm zero column vectors 0Fbw. We now set b = 4 and decompose aiF4, i=0,1,, into ai=a¯iα+a_i with a¯i,a_iF2 since a set {1,α} is a basis of F4 over F2. Then, we can write x~i+1=a¯(αb~0)+a_b~0+a¯+1(αb~1)+a_+1b~1++a¯+m1(αb~m1)+a_+m1b~m1, that is, a linear combination of 2m column vectors αb~j,b~jF4w, j=0,1,,m1, with coefficients in F2. From this, we can calculate x~i+1 by only adding vectors αb~j if a¯+j=1 and b~j if a_+j=1 for each j. Moreover, the elements 0,1,α,α+1F4 can be represented as column vectors (0 0),(0 1),(1 0),(1 1)F22, respectively, and hence, αb~j,b~j,x~i+1F4w can be viewed as column vectors in F22w. Using this property, we can generate {ui}i=0 in (Equation3) with reasonable speed, as if we performed additions over F2. The sample code is available at https://github.com/sharase/cud-f4.

Remark 3.3

Kajiura et al. [Citation14] proved that there exists no Tausworthe generator over F2 with both maximal periodicity and t-value zero for s = 3 if m3. More precisely, they proved that F2-linear generators, which are a general class of linear pseudorandom number generators over F2 including Tausworthe generators (cf. [Citation8,Citation11]), have the t-value zero for s=3 only if the period length is exactly three. Their proof was specialized for the case F2; for example, they used the property LmUm={Im} in [Citation14, Proof of Theorem 1], where Im denotes the identity matrix of order m, and Lm and Um denote a set of non-singular m×m lower-triangular and upper-triangular matrices, respectively. This is false in the fields Fb except for F2. Indeed, Harase [Citation9] obtained Tausworthe generators over F2 with t-value two or three for s = 3, but they were not optimal with respect to the t-value. Thus, we conducted a search over Fb, whose restrictions are looser than those over F2.

Remark 3.4

We consider a reason why there are a very few pairs of polynomials (p(x),q(x)) with the t-value zero for s = 3 over F3 in Table . Assume that mw. Let A0 denote the (m×m)-transpose companion matrix of p(x) in Fb given by A0=(11cmcm1c1),where blank entries in this matrix mean zeros. We set an (m×m)-matrix A=A0σ. According to [Citation8, Section 5.1], we can obtain the state transition matrix B~ in (Equation11) by expanding A, that is, if m = w, then we put B~=A, and if m<w, for j=m+1,,w, we attach (c1(j),,cm(j)) as the jth row vector, where the coefficients ci(j) are given by the relation a+j=c1(j)ai1++cm(j)aim, and add wm columns of the zero vector 0. Thus, the t-value for dimension s is determined by the the maximum number of linear independence of leading row vectors of s generating matrices (Im, A,,As1); see [Citation13, Theorem 4.28] or [Citation15, Theorem 4.52] for details. In our construction scheme, one can only change the parameter values c1,,cm and σ, so that the search space is restricted.

As an alternative, we have conducted a numerical experiment for which we discard the structure of Tausworthe generators and take general (m×m)-full rank matrices A, not given by A0σ, as described in [Citation14, Equ. (4)]. (Here, we may assume without loss of generality that the row vectors (c1(j),,cm(j)) are arbitrary.) Our goal here is to find a full rank matrix A such that a digital net generated by (I,A,A2) has the t-value zero for s = 3 and the multiplicative order of A is bm1. For this, we generate full rank matrices A at random and check the above conditions. In computer search, we have confirmed the existence of such A in F3 for 2m10. It might be expected that the existence holds true for every m in arbitrary Fb except for F2. However, this approach seems to be significantly inefficient and time-consuming because it is not so easy to find matrices A that generate the digital nets with the t-value zero even for s = 2 if m is large for small b. Therefore, it would be desirable to design some mathematical structure of A in advance before we conduct a search. In contrast, our algorithm always ensures the t-value zero for s = 2. In this paper, we conduct an exhaustive search, but our algorithm has the advantage that we can easily switch from an exhaustive search to a random search by generating Ak(x) in (Equation10) randomly.

4. Numerical examples

We provide numerical examples to confirm the performance of Markov chain QMC. In our examples, we estimate the expectation Eπ[f(X)] and compare the following driving sequences:

  1. New: our new Tausworthe generators over F4;

  2. Harase: Tausworthe generators over F2 developed by Harase [Citation9];

  3. Chen: Tausworthe generators over F2 developed by Chen et al. [Citation7]; and

  4. IID: Mersenne Twister [Citation31].

We briefly explain how to use Tausworthe generators over Fb. Recall that N=bm and the period length is N−1. For the output values (Equation3) generated by Tausworthe generators, if gcd(s,N1)=1, we simply define s-dimensional non-overlapping points starting from the origin: (12) (0,,0),(u0,,us1),(us,,u2s1),,(u(N2)s,,u(N1)s1).(12) If gcd(s,N1)=d>1, instead of (Equation12), we generate d distinct short loops of s-dimensional points, that is, (13) (uj,,uj+s1),(uj+s,,uj+2s1),,(uj+(((N1)/d)1)s,,uj+((N1)/d)s1),(13) for j=0,,d1, and concatenate them starting from the origin (0,,0) in this order. For these points, we apply b-adic digital shifts, that is, we add (z1,,zs) to each s-dimensional point using the digit-wise addition b (see Remark 4.1), where z1,,zs are IID samples from U(0,1), that is, the continuous uniform distribution over (0,1). We use the resulting points as input for Markov chain QMC; see Remark 4.3 and [Citation2,Citation5,Citation6,Citation32] for more details. We set w = 32 over F2 and w = 16 over F4 as a digit number in Definition 2.4.

Remark 4.1

We recall the definition of digital shifts. For x=j=0ξjbj1[0,1) and z=j=0ζjbj1(0,1) with ξj,ζjZb, we define the b-adic digitally shifted point x~(0,1) as x~=xbz:=j=0ψjbj1, where ψj:=η(η1(ξj)+η1(ζj)) with ψjb1 for infinitely many j and ‘+’ represents the addition in Fb. For higher dimensions s>1, let z=(z1,,zs)(0,1)s. For x=(x1,,xs), we similarly define the b-adic digitally shifted point x~(0,1)s as x~=xbz:=(x1bz1,,xsbzs).

4.1. Gaussian Gibbs sampling

Our first example is a systematic Gibbs sampling scheme to generate the s-dimensional multivariate Gaussian (normal) distribution X=(X1  Xs)N(μ,Σ) for a mean vector μ=(μ1  μs) and covariance matrix Σ=(σij). This can be implemented as (14) Xk|XkN(μk+Σk,kΣk,k1(Xkμk),Σk,kΣk,kΣk,k1Σk,k),(14) for k=1,,s, which reduces to the iteration of the calculation of the one-dimensional normal distribution. (Here, for simplicity of notation, the indices k and k represent the kth component and the components except for the kth component, respectively; e.g.Σk,k=(σk,1,,σk,k1,σk,k+1,,σk,s) and so on.) Thus, we apply the inverse transform method in (Equation14). We set the parameter values s = 3 and μ=(000),Σ=(10.30.20.310.50.20.51),which were used in [Citation6, Chapter 6.1].

First, we estimate E[X1],E[X2], and E[X3] with true value 0 by taking the sample mean. Figure  shows a summary of the root-mean-square errors (RMSEs) in log2 scale for sample sizes N from 210 to 220 using 300 digital shifts. In all cases, the Tausworthe generators (labeled ‘New’ and ‘Harase’) optimized in terms of the t-value have almost the same accuracy and outperform Chen's generators.

Figure 3. RMSEs for E[X1], E[X2], and E[X3] with true value 0.

Figure 3. RMSEs for E[X1], E[X2], and E[X3] with true value 0.

Furthermore, we estimate the second-order moments E[X1X2], E[X1X3], E[X2X3] and the third-order moment E[X1X2X3] using 300 digital shifts, respectively. Figures  and  show summaries of the RMSEs. In Figure , we observe that Chen's generators are unstable and have several bumps when we estimate E[X1X2X3].

Figure 4. RMSEs for E[X1X2], E[X1X3], and E[X2X3] with true values 0.3, −0.2, and 0.5.

Figure 4. RMSEs for E[X1X2], E[X1X3], and E[X2X3] with true values 0.3, −0.2, and 0.5.

Figure 5. RMSEs for E[X1X2X3] with true value 0.

Figure 5. RMSEs for E[X1X2X3] with true value 0.

4.2. M/M/1 queuing system

Our second example is an M/M/1 queuing model, which has the same setting as that in [Citation32, Chapter 8.3.2]. Consider a single-server queuing model, where the customers arrive as a Poisson process with intensity λ>0 and the service time is exponentially distributed with intensity μ>0. Assume that μ>λ for system stability. Let Wj denote the waiting time of the jth customer, Sj denote the service time of the jth customer, and Tj denote the time interval between the jth customer and the (j1)th customer. Then, we have the Lindley recurrence: (15) W0=0,Wj=max(Wj1+Sj1Tj,0),(15) (16) Sj1Exp(μ),TjExp(λ),(16) for j1, where Exp() denotes the exponential distribution. Under stationarity, the average waiting time is known as (17) E[Wj]=λμ(μλ)(17) (cf. [Citation33]). We estimate the average waiting time (Equation17) by taking the sample mean (W1++WN)/N via Equations (Equation15)–(Equation16). Note that we need 2N random points (S0,T1),,(SN1,TN) for N customers. Note also that the function max(,0) is unsmooth at 0.

We set the parameters λ=0.5 and μ=1. Figure  shows the RMSEs for the average waiting time using 300 digital shifts. The three types of QMC points have almost the same performance, except for Chen's generator at N=213. The bump of Chen's generator coincides with that in [Citation32, Figure 8.2].

Figure 6. RMSEs for the average waiting time of the M/M/1 queuing model.

Figure 6. RMSEs for the average waiting time of the M/M/1 queuing model.

4.3. A linear regression model

In the third example, we consider a linear regression model yi=xiβ+ϵi,ϵiIIDN(0,τ2) (i=1,,n),where yi is the ith observation on the response variable, xi=(1,xi,1,,xi,k) is a (k+1)×1 vector of 1 and ith observations on the k explanatory variables, β=(β0,β1,,βk) is a (k+1)×1 vector of regression coefficients, and the error term ϵi is IID normal with mean zero and common variance τ2. Let X=(x1,,xn) be an n×(k+1) design matrix (with rank k + 1<n) and y=(y1,,yn) an n×1 vector.

We now consider Bayesian inference as follows: We assume that the parameters β and τ2 are independent and have the prior distributions βN(b0,B0),τ2IG(n02,s02),where IG(α1,α2) denotes the inverse gamma distribution with shape parameter α1>0 and rate parameter α2>0, and (k+1)-dimensional mean vector b0, ((k+1)×(k+1))-covariance matrix B0, n0, and s0 are hyperparameters. Then, according to [Citation34,Citation35], sampling from the joint posterior distribution of (β,τ2) can be generated through sampling from the full conditional distributions (18) β|τ2,yN(b1,B1),(18) (19) τ2|β,yIG(n12,s12),(19) where b1=B1(B01b0+τ2Xy),B11=B01+τ2XX,n1=n0+n,s1=s0+(yXβ)(yXβ).Thus, we calculate E[β] and E[τ2] by taking the sample mean using the Gibbs sampler based on (Equation18) and (Equation19). We generate β in (Equation18) via L(Φ1(uj), ,Φ1(uj+k)) for uj,,uj+k(0,1), where B1=LL is the Cholesky decomposition and Φ() is the cumulative distribution function of the standard normal distribution.

As a numerical example, we use the Boston housing data analysed in [Citation36]. To investigate the demand for clean air, Harrison and Rubinfeld [Citation36] built a linear regression model given by (20) log(MEDV)=β0+β1CRIM+β2ZN+β3INDUS+β4CHAS+β5NOX2+β6RM2+β7AGE+β8log(DIS)+β9log(RAD)+β10TAX+β11PTRATIO+β12B+β13log(LSTAT)+ϵ,ϵN(0,τ2),(20) where the housing price MEDV is a response variable, and CRIM, ZN, INDUS, CHAS, NOX, RM, AGE, DIS, RAD, TAX, PTRATIO, B, and LSTAT are 13 explanatory variables (i.e. k = 13); see [Citation36, Table IV] for more details about the variables. In our experiment, we estimate the same linear regression model as in (Equation20). Note that the state vector (β,τ2) has 15 dimensions (i.e.s = 15).

We set the hyperparameter values b0=0, B0=100Is, n0=5, s0=0.01, and run the Gibbs sampler for 5000 iterations using random numbers as a burn-in period. Then, we calculate E[β] and E[τ2] by running the Gibbs sampler for N=212, 214, 216, and 218 iterations. Table  shows a summary of sample variances of posterior mean estimates using 300 digital shifts. In both cases F2 and F4, Tausworthe generators optimized in terms of the t-value provide comparable to or better results than Chen's Tausworthe generators optimized in terms of the equidistribution property, excluding some exceptions (e.g. β6,,β13 for N=214 estimated by Tausworthe generators over F2). Furthermore, we plot the histograms of β0 and β8 using 214 IID uniform random points and QMC points generated by our new generator over F4 in Figure . In the case β0, the sampling using our new QMC points tends to converge to the posterior distribution faster than the sampling using IID uniform random points, but in the case β8, the difference seems to be unclear. From this, the estimation of β8 might be more difficult than that of β0 when we apply QMC. Overall, our experiment implies that the t-value is a good measure of uniformity in the study of Markov chain QMC.

Figure 7. Histograms of β0 and β8 using 214 IID uniform random points and QMC points generated by our new generator over F4.

Figure 7. Histograms of β0 and β8 using 214 IID uniform random points and QMC points generated by our new generator over F4.

Table 4. Variances of posterior mean estimates for β=(β0,,β13) and τ2.

Remark 4.2

According to some heuristic arguments in [Citation6, Chapter 7.1], it is expected that Markov chain QMC drastically improves the rate of convergence when the dependence of states on the past decays quickly. To investigate such phenomena, we plot the sample paths and autocorrelation functions (ACFs) of β0,β1,β2, and τ2 in Figure  using 214 IID uniform random points, after a burn-in period with 5000 iterations. The ACF plots imply that the dependence of states on the past decays very quickly (i.e. at one step) and has negligible effect on the current state. Moreover, it is believed that QMC methods in high-dimensional problems are successful especially in the case where the problems are dominated by the first leading variables or well approximated by a sum of functions of at most one or two variables (cf. [Citation37]). Our linear regression example is probably included in such a class of problems, and hence, all the three Tausworthe generators drastically improve the rate of convergence. On the other hand, in more complicated applications in practice, the difference among these generators might not become clear, but we expect that Tausworthe generators optimized in terms of the t-value would be at worst superior to IID uniform random points.

Figure 8. Sample paths and ACFs of β0,β1,β2, and τ2 using 214 IID uniform random points.

Figure 8. Sample paths and ACFs of β0,β1,β2, and τ2 using 214 IID uniform random points.

Remark 4.3

The generation scheme in (Equation13) was originally used in [Citation2,Citation5]. However, if gcd(s,N1)=d>1, then we have d−1 skips in (Equation13) through the entire period. To avoid such irregular skips, Tribble [Citation6] and Chen [Citation32] suggested a strategy in which the skips are the same between every pair of non-overlapping s-blocks: Let r be the smallest integer rs such that gcd(r,N1)=1. Then, instead of (Equation13), we can consider s-dimensional non-overlapping points starting from the origin: (21) (0,,0),(u0,,us1),(ur,,ur+s1),(u2r,,u2r+s1),,(u(N2)r,,u(N2)r+s1),(21) which maintain balance (i.e. every r steps) in each coordinate by discarding rs points between each block. We also implemented the strategy (Equation21) and conducted the same experiments as in Section 4. We obtained almost similar results with a slight fluctuation. In this paper, we optimized Tausworthe generators in terms of the t-value for consecutive output values, so we adopted the scheme (Equation13) without discarding rs points, which seems to be closer to the condition (Equation1). We refer the reader to [Citation6, Chapter 5] and [Citation32, Chapter 8.2] for more details.

5. Conclusion

We attempted to search for short-period Tausworthe generators over arbitrary finite fields Fb for Markov chain QMC in terms of the t-value. To achieve this, we generalized the search algorithms [Citation9,Citation10] over F2 to those over Fb. We conducted an exhaustive search, especially in the case where b = 3, 4, and 5, and implemented Tausworthe generators over F4 with t-values zero for dimension s = 3, in addition to s = 2, and small for s4. We also reported numerical examples in which both Tausworthe generators over F2 and F4 optimized in terms of the t-value perform comparable to or better than Tausworthe generators [Citation7] optimized in terms of the equidistribution property.

The two-element field F2 is the most important finite field in applications, but has some restrictions that do not occur over other fields Fb. Therefore, in future work, it would be interesting to study implementations of other types of QMC points over Fb, such as polynomial lattice rules [Citation13,Citation15,Citation30] and irreducible Sobol'–Niderreiter sequences [Citation38], which are closely related to the t-value. Furthermore, we are also planning to apply our new generators, including [Citation9], to a large variety of Bayesian computation using real-life data.

To conclude this paper, we mention some recent related works. In past a decade, the application of QMC methods to computational statistics has received a lot of attention for researchers and many novel studies have been proposed. For example, Gerber and Chopin [Citation39] present a class of algorithms where a sequential Monte Carlo strategy is implemented with QMC. Buchholz and Chopin [Citation40] derive approximate Bayesian computation (ABC) algorithms based on QMC for dealing with models with an intractable likelihood. As another direction, research on kernel density estimation using QMC has been actively conducted. We refer the reader to the survey paper [Citation41] for recent progress in this topic.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by JSPS KAKENHI Grant Numbers JP22K11945, JP18K18016.

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