On The Stochastic/Deterministic Numerical Solution Of .

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INTERNATIONAL JOURNAL OF MATHEMATICAL MODELS AND METHODS IN APPLIED SCIENCESVolume 9, 2015On the Stochastic/Deterministic Numerical Solutionof Composite Deterministic Elliptic PDE Problems*George Sarailidis1 and Manolis Vavalis2problems. For example the U.S.A. Department of Energyclaimed that Monte Carlo simulations have consistentlyconsumed up to a half of their high-performance cycles sincethe beginning of its super-computing facilities. Nevertheless,they have not be much utilized for linear PDE-based applications. They are generally considered as methods of last resortideally suitable only for problems either in high dimensionsor very complex geometries [23]. It is interesting to point outthat the Monte Carlo pioneer Mark Kac’s say ”You use MonteCarlo methods until you understand the problem” severalyears ago describes accurately how most of us currently viewMonte Carlo methods.PDE problems have been related to Monte Carlo in severalways (see [20] for a recent survey). The famous FeynmanKac formula for example, establishes an interesting linkbetween PDEs and stochastic processes. Monte Carlo methods has been, and to a great extent still remains, the onlycomputational choice for several non-linear problems whileit has been recognized as a good choice for many othercomputationally difficult non-linear problems. In additionthey seem to be a natural choice for any differential equationin which one or more of the terms is a stochastic process, thusresulting in a solution which is itself a stochastic process.This is clearly depicted by the plethora of very recent MonteCarlo based research efforts devoted to numerical solution ofsuch equations commonly known as stochastic differentialequations (see for example [37], [1] for time dependedproblems and [3], [25], [37], [2], [46] for elliptic problems).As already mentioned even fundamental linear PDEs arestrongly related to stochasticity. For example, it is known thatdiffusion is in fact a form of Brownian motion at microscopicscale. This provided enough motivation to the several attempts to develop and promote Monte Carlo based numericalsolvers for time depended PDEs (e.g. [19], [8], [17], [14] andin particular [20]). Linear non-stochastic elliptic boundaryvalue problems are also strongly connected to probability(rigorous measure theory). For example, integrals with respect to certain measure have been recognized as solutionsof certain parabolic or elliptic differential equations [9]. It isworth to mention that there are several recent research effortsconcerning probabilistic interpretations of harmonicity andof fundamental elliptic PDEs using Brownian motion andstochastic calculus (see [34] and reference therein).In this paper we restrict our investigation on the effectiveness of Monte Carlo methods for the numerical solutionof linear elliptic PDEs and we concentrate on the Poissonequation. It has to be pointed out that although there hasbeen, and currently exist, significant research activity onAbstract— We consider stochastic numerical solvers for deterministic elliptic Partial Differential Equation (PDE) problems.We concentrate on those that are characterized by their multidomain or/and multi-physics nature. In particular we considereither plain random walk on spheres methods or synergies ofconventional deterministic PDE solving methods and traditionalprobabilistic Monte Carlo approaches. Our main objectives aretwo. One is to clearly define the context and the practicalapproach concerning the use of deterministic components thatlead to effective numerical solvers for linear deterministic PDEs.The other is the design and implementation of a proof-ofconcept computational framework that allows experimentationin order to elucidate the capabilities and identify the emergingcomputational characteristics of the proposed approaches. Aclass of model problems in two and three space dimensionsare first considered and experimental results are presented anddiscussed.Keywords – Numerical solution of PDEs, MultidDomain MultiPhysics problems, Monte Carlo methods, RandomWalk on Spheres.I. INTRODUCTIONThe Monte Carlo method has the capability to provideapproximate solutions to a variety of mathematical problems,not necessarily with probabilistic content or structure, byperforming statistical sampling experiments. About a centuryhas been passed since the discovery of methods which basedon the Monte Carlo concept provide numerical approximations to Partial Differential Equation (PDE) problems. Thesemethods generate random numbers and by observing certainof their characteristics and behavior are capable of calculating approximations to the solutions. Specifically, it was [35]who first considered the relationship between stochasticprocesses and parabolic differential equations followed by[9] who proposed numerical procedures for elliptic PDEswhile [26] were the fist to dignify this stochastic approachwith a name referring to the gambling facilities available atthe Monte Carlo city and propose it as a generic term fornumerical methods that use sampling of random numbers.Since then Monte Carlo methods have been commonly,and in fact heavily, used and still are for many important*This research has been co-financed by the European Union (EuropeanSocial Fund ESF) and Greek national funds through the OperationalProgram Education and Lifelong Learning of the National Strategic Reference Framework (NSRF) - Research Funding Program: Thales. Investingin knowledge society through the European Social Fund.2 G. Sarailidis is a free lancer for Computational and Informational Science and Engineering, Athens, GREECE waxplain at gmail.com4 M. Vavalis is with the Department of Electrical & Computer Engineering, University of Thessaly, Gklavani 37, 38221 Volos, GREECE mav atuth.grISSN: 1998-0140740

INTERNATIONAL JOURNAL OF MATHEMATICAL MODELS AND METHODS IN APPLIED SCIENCESthis subject, the proposed methods have not attracted sofar the expected attention. Furthermore, one can find veryfew software components1 that are publicly available andappropriate to support the experimentation which is muchneeded for elucidating the characteristics and idiosyncrasyof the proposed methods and convincing both researchersand practitioners that can be effectively used for real-worldproblems as for example the one considered in[41].In this paper we restrict ourselves on rectangular multidomains in two and three dimensions and we focus on theimplementation of a computational framework that allowseasy experimentation with hybrid methods consisting of acombination of mainly two steps: Stochastic pre-processing: A Monte Carlo-based walkon spheres approach is utilized to decouple the originalPDE problem into a set of independent PDE subproblems. Deterministic solving: Any of the resulting subproblems is numerical solved independently by meansof selected finite element schemes.It is our believe that the proposed and implemented framework promotes an interesting new concept in solving deterministic PDEs and not only supports experimentation but ithas the potential to become a practical tool too.The rest of this paper is organized as follows. In section IIwe present a review of existing approaches for the numericalsolution of linear elliptic PDEs using Monte Carlo basedmethods. We also present the mathematical background andthe associated generic algorithm for our stochastic/deterministic solving framework and system and briefly comment onits characteristics. Implementation issues are addressed insection III which are coupled with installation and usagedetails. A summary of the numerical experiments performedcan be found in section IV. Our concluding remarks togetherwith our vision for future research actions are given insection V.from citation count at scopus) it has not been accepted aswidely as it should be according to our believe.It is interesting to mention that in our study we considerthe integration of stochastic solvers in the numerical solutionof PDEs only at continuous level. Specifically, we do notconsider studies like the one found in [44] which dealswith a Monte Carlo method for the numerical solution ofthe linear system that arises from the discretization of thePoisson equation on a 2-dimensional rectangular domainusing the 5-point-star finite difference scheme with uniformdiscretization step. We believe that approaches may havetheir value but do not fit into the meta-computing type ofsolvers we envision in our study. We should mention that(excluding just a few exceptions) most of the related workmentioned so far does not focus on the efficient implementation of Monte Carlo solvers in general and on modern parallelcomputing systems in particular. It is plausible in generalwhy the multicore available systems have not attracted MonteCarlo methods at least as much as expected2 .B. Stochastic/deterministic elliptic PDE solversWe consider the following elliptic boundary value problemLu(x) f (x) x D Rd ,(1)Bu(x) g(x) x D,(2)where L is an elliptic differential operator, B a boundaryoperator and d N. We assume that the regularity conditionsfor the closed domain D, the operators L and B and thegiven functions f (x) and g(x) are satisfied. These conditionsguarantee the existence and uniqueness of the solution u(x)in C2 (D D) of problem (1)–(2). We furthermore assumethat the domain D consists of (or can be splitted into) NDsubdomains, i.e.DD N(3)µ 1 Dµand that Lµ and fµ are the restrictions of L and f on Dµwhile Bµ and gµ are the restrictions of B and g on Dµ D.We finally define the interface between the two subdomainsDµ and Dν asII. M ATHEMATICAL BACKGROUNDA. Monte Carlo methods for linear elliptic PDESIµ,ν Dµ ( Dν Dν ) Rd 1 ,Model Carlo based stochastic-deterministic hybrid methods are not new. As mentioned above, Currant [9] was thefirst to mention the use of Monte Carlo methods for solvingnon-stochastic PDE problems. Nevertheless, it was Muller[31] who based on the, then classified, work of Metropolis[26] first proposed a particular associated numerical scheme.His work followed by others (see for example [13]) hasactually modivated researcher to build a special purposemachines [39] and also consider particular applications [38].Related recent work have recently appeared in the following papers [45], [5], [10], [27], [28], [11] and in particularthose in the past decade [22], [24], [17], [15], [30], [29],[12], [32], [18], [7], [37], [42], [33], [43], [41], [44]. Thisrecent excellent work have so far received minimal attentionfrom our scientific community. As it has been observed (e.g.µ, ν 1, . . . , ND .(4)Assuming µ 6 ν.Obviously we consider only those interfaces for which wehave that Iµ,ν 6 .It is important to point out that the above generic methodology becomes particularly attractive in several real-worldconfigurations, for example when the restrictions of theelliptic operator L is not the same in all subdomains, whenthere exist singularity points in some subdomains, whenthe PDE domain Ω is complex and can be simplified ifdecomposed in subdomains . . . . In such cases it is veryimportant that one selects the most appropriate local solvertailored to each particular subdomain and the restrictions ofthe operators and functions on it. Furthermore, the abovescheme offers us the possibility of computing the solution1 Searching, for example, with “Monte Carlo” as keyword in TOMSBibTeX bibliography results with just 10 items.ISSN: 1998-0140Volume 9, 20152 http://www.oxford-man.ox.ac.uk/gpuss741

INTERNATIONAL JOURNAL OF MATHEMATICAL MODELS AND METHODS IN APPLIED SCIENCESData: i1 , i2 , . . . , iN : the ids of the subdomains in whichwe wish to compute the solution.Result: ũµ , µ i1 , . . . , iN : computer approximationsof the restrictions of the exact solution u in thesubdomains Dµ , µ i1 , . . . , iN .The solver runs in parallel the computations for each ofthe points on the interface.4Our implementation is based on the walk-on-spheresmethod and follows the approach and the basic idea foundin [10] (Section II, pp. 126) and can be summarized asfollows. Assume that we want to estimate u(x0 ). Let s be thecurrent estimation of the solution, B(x) is the largest ball inthe domain centered at point x, q(y) is the right hand side ofthe problem, and a(d) is a function associated with Green’sfunction for the problem, which takes as input the radius ofthe B(x). One walk requires the following computations.step i: assign x0 to x; assign 0 to s;step ii: if x is close enough to the boundary, go to step v;step iii: find randomly a point y inside B(x), with respectto the density of B(x) (more on this later); assign to s,the sum of the previous value of s, plus the product ofq(y) multiplied by a(d);step iv: find randomly a point on the surface of B(x), assignthis point to x; go to step ii;step v: return s;This process is repeated for enough many times, and themean of the estimations at the end of each process is usedas the final estimation. A more detailed exposition is seen inthe associated listing in the appendix.Note that the first step in each walk is accomplished usinga quasi-random sequence (not evident in the listing). Webelieve that the first step determines considerably more thanthe rest of the steps, the region where the walk takes place;therefore, using a quasi-random sequence for the first stepsignificantly helps us to make a more uniform sampling,which in turn results in faster convergence.Let us now consider how we find randomly a pointy inside B(x), with respect to the density of B(x)(rand update y(x, y, d)).5 To calculate the new ywe need to calculate a new radius and angle of the vector toadd at the vector corresponding to the point x.The probability density function (PDF) of the radius andd2rthe angle is: ρ(r, θ) πd2 ln r , and because it is independentof the angle, we can choose an angle uniformly. Now we havetofind a new PDF (let’s say ρ(r)) for the radius: ρ(r) R 2 piρ(r, θ)dθ 2πρ(r, θ) d4r2 ln dr0We can choose a radius using the quantile function of ρ(r),i.e., the inverse of its cumulative distribution function). However, we cannot compute the quantile function analytically,therefore we use the rejection method [36]. 6Note that maxx (P DF (x)) 4/(e d)7 The rejectionmethod will work as follows.step i: choose uniformly a random x1 in (0, d), and arandom x2 in (0, 4/(e d)).// PHASE I: Estimate solution on theinterfaces;while Iµ,ν Nj 1 Dij doSelect control points xi Iµ,ν , i 1, 2, . . . , Mµ,ν ;Estimate the solution u at the control points xiusing a Monte Carlo method;Calculate the interpolant uIµ,ν of uµ, ν using thecontrol points xi ;end// PHASE II: Estimate solution in thesubdomains;for j 1, 2, . . . , N doSolve the PDE problem:;Lij uij (x) fij (x) x Dij ;Bij uij (x) gij (x) x Dij D ;Lij uij (x) hij (x) x Dij ;// hij (x)constructed using the uIµ,ν sendAlgorithm 1: The Generic Algorithm.only on selected subdomains that are of particular importanceto us.III. I MPLEMENTATION AND U SAGEWe start this section with a presentation of our basicimplementation3 of the algorithm described above. We notethat this basic implementation may be combined with eitherthe CPU/GPU or with the web services or a combination ofthem. In the rest of this paper and for the simplicity in thepresentation and due to lack of space we only describe thebasic implementation.Initially, the user needs to specify the problem (by programming it in the source code), i.e., the right hand sideof the Poisson’s equation and the boundary functions, thedomain, and the desired partitioning of the domain (used forthe parallelization).Then, the user needs to specify the resolution of theMonte Carlo estimations, i.e., the number of points along aninterface between two subdomains whereat the solver shouldestimate the solution using the walk-on-spheres method, thenumber of (independent) walks that should be used andultimately be averaged so as to get an estimation, and theboundary tolerance, i.e., the distance that signifies whethera point is close enough to the boundary so that the solvercan assume that the value of the solution on that point is thesame as that on the boundary.4 We could parallelize further by running all walks in parallel, but thespeed up would not be significant, especially if we take into account thecomputation costs of the finite-element solver that are to follow.5 The details correspond to the two-dimensional case.6 [MATLAB script (to see the ρ(r)): d 1; r 0 : .001 : d; y (4/d2 ) (r log(d) r. log(r)); plot(r, y);] The bell like form of ρ(r)means that the rejection method is going to be efficient.7 We have (d/dx)(P DF (x)) (4/d2 ) (lnd lnr 1) 0 lnr lnd lne r d/e, that is maxx (P DF (x)) max(2 pi ρ(r, θ)) 2 pi ρ(d/e, θ) 4/(e d).3 erical-PDE-solvers.ISSN: 1998-0140Volume 9, 2015742

INTERNATIONAL JOURNAL OF MATHEMATICAL MODELS AND METHODS IN APPLIED SCIENCESstep ii: check if (x1 , x2 ) is below the curve of PDF, that isif 2 pi ρ(x1, θ) x2. If it is, we found our radiusx1 , else go to step i.1) Interpolation: There is a significant difference in ourimplementation as regards to the interpolation between the2-dimensional and the 3-dimensional cases. In case of thethree dimensions we need 2-dimensional interpolation. Asthe latter is relatively complex in terms of computation weprecompute the interpolants and feed them to the finiteelement solver. We use Sintef’s Multilevel B-splines Library(MBA8 ) library is used. In particular we [21]. Here, too, thecomputations for each interpolant are executed in parallel.In the two dimensional case the computations are relatively simple and we have chosen not to pre-compute theinterpolants. Instead, we supply the finite-element solver withthe information needed to compute the required interpolantson spot. For the 1-dimensional interpolation we use JohnBurkardt’s SPLINE C library.Clearly, in both cases, the points used for the interpolationare the ones computed in the previous step of the MonteCarlo estimations.2) Finite Elements: The final step in the process is thesolution of each sub-problem (corresponding to each subdomain) using a finite-elements solver. Clearly, the computations for each sub-problem are executed in parallel. Weuse the state-of-the-art C library deal.II9 . This recentlydeveloped and already widely used library [4] offers adaptivefinite element solvers of high quality for the numericalsolution of partial differential equations.10Volume 9, 2015420 2 4 1Fig. 1.1 0.5000.51 1True solution of the PDE problem defined by (5)–(7).by interface lines drawn at x1 0 and y1 0.5, y2 0and y3 0.75, we solve only the PDE subproblems definedby subdomains Ω1,0 , Ω0,1 and Ω2,1 .We note here that besides the functions that define the PDEproblem (the right hand sides of the elliptic operator and ofthe boundary conditions, and perhaps the true solution if it isknown) the user needs to give other parameters as those aredepicted in the following listing 1 which is in accordance to agraphical user interface we develop. The detailed descriptionof this interface is beyond the scope of this paper.Listing 1. Listing of the configuration file for the 2D model problem.# IV. N UMERICAL E XPERIMENTS# General Parameters2 # Number o f d i m e n s i o n s4 # Maximum number o f t h r e a d sA. 2-dimensional ExperimentsWe start by considering the rectangular domain Ω [ 1, 1] [ 1, 1] and the Poisson equation22 u u 2 f (x, y), (x, y) Ω, x2 y(5)wheref (x, y) (1 π 2 ) (sin(πx) sinh(y) 4 cosh(2x) cos(2πy)) ,(6)subject to the following Dirichlet boundary conditionsu( 1, y) cosh( 2) cos(2πy) (x, y) Ω.u(x, 1) sin(πx) sinh( 1) cosh(2x),(7)The exact solution of the above problem is given byu(x, y) sin(πx) sinh(y) cosh(2x) cos(2πy).(8)# Dimension X l e n g t h# Dimension Y l e n g t h22# Number o f

On the Stochastic/Deterministic Numerical Solution of Composite Deterministic Elliptic PDE Problems* George Sarailidis1 and Manolis Vavalis2 Abstract—We consider stochastic numerical solvers for deter-ministic elliptic Partial Differential Equation (PDE) problems. We concentrate on those that are characterized by their multi-

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