arXiv subjects

Dirk Nuyens

Publications and source records attributed to Dirk Nuyens.

At least 37 records · Page 2Linked to original sources

arXiv2021

Lattice meets lattice: Application of lattice cubature to models in lattice gauge theory

High dimensional integrals are abundant in many fields of research including quantum physics. The aim of this paper is to develop efficient recursive strategies to tackle a class of high dimensional integrals having a special product structure with low order couplings, motivated by models in lattice gauge theory from quantum field theory. A novel element of this work is the potential benefit in using lattice cubature rules. The group structure within lattice rules combined with the special structure in the physics integrands may allow efficient computations based on Fast Fourier Transforms. Applications to the quantum mechanical rotor and compact $U(1)$ lattice gauge theory in two and three dimensions are considered.

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arXiv2020

Function integration, reconstruction and approximation using rank-1 lattices

We consider rank-1 lattices for integration and reconstruction of functions with series expansion supported on a finite index set. We explore the connection between the periodic Fourier space and the non-periodic cosine space and Chebyshev space, via tent transform and then cosine transform, to transfer known results from the periodic setting into new insights for the non-periodic settings. Fast discrete cosine transform can be applied for the reconstruction phase. To reduce the size of the auxiliary index set in the associated component-by-component (CBC) construction for the lattice generating vectors, we work with a bi-orthonormal set of basis functions, leading to three methods for function reconstruction in the non-periodic settings. We provide new theory and efficient algorithmic strategies for the CBC construction. We also interpret our results in the context of general function approximation and discrete least-squares approximation.

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arXiv2020

Strang splitting in combination with rank-$1$ and rank-$r$ lattices for the time-dependent Schrödinger equation

We approximate the solution for the time dependent Schrödinger equation (TDSE) in two steps. We first use a pseudo-spectral collocation method that uses samples of functions on rank-1 or rank-r lattice points with unitary Fourier transforms. We then get a system of ordinary differential equations in time, which we solve approximately by stepping in time using the Strang splitting method. We prove that the numerical scheme proposed converges quadratically with respect to the time step size, given that the potential is in a Korobov space with the smoothness parameter greater than $9/2$. Particularly, we prove that the required degree of smoothness is independent of the dimension of the problem. We demonstrate our new method by comparing with results using sparse grids from [12], with several numerical examples showing large advantage for our new method and pushing the examples to higher dimensionality. The proposed method has two distinctive features from a numerical perspective: (i) numerical results show the error convergence of time discretization is consistent even for higher-dimensional problems; (ii) by using the rank-$1$ lattice points, the solution can be efficiently computed (and further time stepped) using only $1$-dimensional Fast Fourier Transforms.

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arXiv2020

Digit-by-digit and component-by-component constructions of lattice rules for periodic functions with unknown smoothness

Lattice rules are among the most prominently studied quasi-Monte Carlo methods to approximate multivariate integrals. A rank-1 lattice rule to approximate an $s$-dimensional integral is fully specified by its generating vector $\mathbf{z} \in \mathbb{Z}^s$ and its number of points $N$. While there are many results on the existence of "good" rank-1 lattice rules, there are no explicit constructions for good generating vectors for dimensions $s \ge 3$. This is why one usually resorts to computer search algorithms. Motivated by earlier work of Korobov from 1963 and 1982, we present two variants of search algorithms for good lattice rules and show that the resulting rules exhibit a convergence rate in weighted function spaces that can be arbitrarily close to the optimal rate. Moreover, contrary to most other algorithms, we do not need to know the smoothness of our integrands in advance, the generating vector will still recover the convergence rate associated with the smoothness of the particular integrand, and, under appropriate conditions on the weights, the error bounds can be stated without dependence on $s$. The search algorithms presented in this paper are two variants of the well-known component-by-component (CBC) construction, one of which is combined with a digit-by-digit (DBD) construction. We present numerical results for both algorithms using fast construction algorithms in the case of product weights. They confirm our theoretical findings.

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arXiv2019

Fast component-by-component construction of lattice algorithms for multivariate approximation with POD and SPOD weights

In a recent paper by the same authors, we provided a theoretical foundation for the component-by-component (CBC) construction of lattice algorithms for multivariate $L_2$ approximation in the worst case setting, for functions in a periodic space with general weight parameters. The construction led to an error bound that achieves the best possible rate of convergence for lattice algorithms. Previously available literature covered only weights of a simple form commonly known as product weights. In this paper we address the computational aspect of the construction. We develop fast CBC construction of lattice algorithms for special forms of weight parameters, including the so-called POD weights and SPOD weights which arise from PDE applications, making the lattice algorithms truly applicable in practice. With $d$ denoting the dimension and $n$ the number of lattice points, we show that the construction cost is $\mathcal{O}(d\,n\log(n) + d^2\log(d)\,n)$ for POD weights, and $\mathcal{O}(d\,n\log(n) + d^3σ^2\,n)$ for SPOD weights of degree $σ\ge 2$. The resulting lattice generating vectors can be used in other lattice-based approximation algorithms, including kernel methods or splines.

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arXiv2019

Lattice algorithms for multivariate approximation in periodic spaces with general weight parameters

This paper provides the theoretical foundation for the construction of lattice algorithms for multivariate $L_2$ approximation in the worst case setting, for functions in a periodic space with general weight parameters. Our construction leads to an error bound that achieves the best possible rate of convergence for lattice algorithms. This work is motivated by PDE applications in which bounds on the norm of the functions to be approximated require special forms of weight parameters (so-called POD weights or SPOD weights), as opposed to the simple product weights covered by the existing literature. Our result can be applied to other lattice-based approximation algorithms, including kernel methods or splines.

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arXiv2019

Enhanced Multi-Index Monte Carlo by means of Multiple Semi-Coarsened Multigrid for Anisotropic Diffusion Problems

In many models used in engineering and science, material properties are uncertain or spatially varying. For example, in geophysics, and porous media flow in particular, the uncertain permeability of the material is modelled as a random field. These random fields can be highly anisotropic. Efficient solvers, such as the Multiple Semi-Coarsened Multigrid (MSG) method, see [15, 16, 17], are required to compute solutions for various realisations of the uncertain material. The MSG method is an extension of the classic Multigrid method, that uses additional coarse grids that are coarsened in only a single coordinate direction. In this sense, it closely resembles the extension of Multilevel Monte Carlo (MLMC) [6] to Multi-Index Monte Carlo (MIMC) [9]. We present an unbiased MIMC method that reuses the MSG coarse solutions, similar to the work in [11]. Our formulation of the estimator can be interpreted as the problem of learning the unknown distribution of the number of samples across all indices, and unifies the previous work on adaptive MIMC [19] and unbiased estimation [18]. We analyse the cost of this new estimator theoretically and present numerical experiments with various anisotropic random fields, where the unknown coefficients in the covariance model are considered as hyperparameters. We illustrate its robustness and superiority over unbiased MIMC without sample reuse.

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arXiv2019

Rank-1 lattices and higher-order exponential splitting for the time-dependent Schrödinger equation

In this paper, we propose a numerical method to approximate the solution of the time-dependent Schrödinger equation with periodic boundary condition in a high-dimensional setting. We discretize space by using the Fourier pseudo-spectral method on rank-$1$ lattice points, and then discretize time by using a higher-order exponential operator splitting method. In this scheme the convergence rate of the time discretization depends on properties of the spatial discretization. We prove that the proposed method, using rank-$1$ lattice points in space, allows to obtain higher-order time convergence, and, additionally, that the necessary condition on the space discretization can be independent of the problem dimension $d$. We illustrate our method by numerical results from 2 to 8 dimensions which show that such higher-order convergence can really be obtained in practice.

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arXiv2019

Constructing QMC finite element methods for elliptic PDEs with random coefficients by a reduced CBC construction

In the analysis of using quasi-Monte Carlo (QMC) methods to approximate expectations of a linear functional of the solution of an elliptic PDE with random diffusion coefficient the sensitivity w.r.t. the parameters is often stated in terms of product-and-order-dependent (POD) weights. The (offline) fast component-by-component (CBC) construction of an $N$-point QMC method making use of these POD weights leads to a cost of $\mathcal{O}(s N \log(N) + s^2 N)$ with $s$ the parameter truncation dimension. When $s$ is large this cost is prohibitive. As an alternative Herrmann and Schwab introduced an analysis resulting in product weights to reduce the construction cost to $\mathcal{O}(s N \log(N))$. We here show how the reduced CBC method can be used for POD weights to reduce the cost to $\mathcal{O}(\sum_{j=1}^{\min\{s,s^*\}} (m-w_j+j) \, b^{m-w_j})$, where $N=b^m$ with prime $b$, $w_1 \le \cdots \le w_s$ are nonnegative integers and $s^*$ can be chosen much smaller than $s$ depending on the regularity of the random field expansion as such making it possible to use the POD weights directly. We show a total error estimate for using randomly shifted lattice rules constructed through the reduced CBC construction.

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arXiv2018

Efficient implementations of the Multivariate Decomposition Method for approximating infinite-variate integrals

In this paper we focus on efficient implementations of the Multivariate Decomposition Method (MDM) for approximating integrals of $\infty$-variate functions. Such $\infty$-variate integrals occur for example as expectations in uncertainty quantification. Starting with the anchored decomposition $f = \sum_{\mathfrak{u}\subset\mathbb{N}} f_\mathfrak{u}$, where the sum is over all finite subsets of $\mathbb{N}$ and each $f_\mathfrak{u}$ depends only on the variables $x_j$ with $j\in\mathfrak{u}$, our MDM algorithm approximates the integral of $f$ by first truncating the sum to some `active set' and then approximating the integral of the remaining functions $f_\mathfrak{u}$ term-by-term using Smolyak or (randomized) quasi-Monte Carlo (QMC) quadratures. The anchored decomposition allows us to compute $f_\mathfrak{u}$ explicitly by function evaluations of $f$. Given the specification of the active set and theoretically derived parameters of the quadrature rules, we exploit structures in both the formula for computing $f_\mathfrak{u}$ and the quadrature rules to develop computationally efficient strategies to implement the MDM in various scenarios. In particular, we avoid repeated function evaluations at the same point. We provide numerical results for a test function to demonstrate the effectiveness of the algorithm.

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arXiv2018

Lattice rules with random $n$ achieve nearly the optimal $\mathcal{O}(n^{-α-1/2})$ error independently of the dimension

We analyze a new random algorithm for numerical integration of $d$-variate functions over $[0,1]^d$ from a weighted Sobolev space with dominating mixed smoothness $α\ge 0$ and product weights $1\geγ_1\geγ_2\ge\cdots>0$, where the functions are continuous and periodic when $α>1/2$. The algorithm is based on rank-$1$ lattice rules with a random number of points~$n$. For the case $α>1/2$, we prove that the algorithm achieves almost the optimal order of convergence of $\mathcal{O}(n^{-α-1/2})$, where the implied constant is independent of the dimension~$d$ if the weights satisfy $\sum_{j=1}^\infty γ_j^{1/α}<\infty$. The same rate of convergence holds for the more general case $α>0$ by adding a random shift to the lattice rule with random $n$. This shows, in particular, that the exponent of strong tractability in the randomized setting equals $1/(α+1/2)$, if the weights decay fast enough. We obtain a lower bound to indicate that our results are essentially optimal. This paper is a significant advancement over previous related works with respect to the potential for implementation and the independence of error bounds on the problem dimension. Other known algorithms which achieve the optimal error bounds, such as those based on Frolov's method, are very difficult to implement especially in high dimensions. Here we adapt a lesser-known randomization technique introduced by Bakhvalov in 1961. This algorithm is based on rank-$1$ lattice rules which are very easy to implement given the integer generating vectors. A simple probabilistic approach can be used to obtain suitable generating vectors.

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arXiv2018

Recycling Samples in the Multigrid Multilevel (Quasi-)Monte Carlo Method

The Multilevel Monte Carlo method is an efficient variance reduction technique. It uses a sequence of coarse approximations to reduce the computational cost in uncertainty quantification applications. The method is nowadays often considered to be the method of choice for solving PDEs with random coefficients when many uncertainties are involved. When using Full Multigrid to solve the deterministic problem, coarse solutions obtained by the solver can be recycled as samples in the Multilevel Monte Carlo method, as was pointed out by Kumar, Oosterlee and Dwight [Int. J. Uncertain. Quantif., 7 (2017), pp. 57--81]. In this article, an alternative approach is considered, using Quasi-Monte Carlo points, to speed up convergence. Additionally, our method comes with an improved variance estimate which is also valid in case of the Monte Carlo based approach. The new method is illustrated on the example of an elliptic PDE with lognormal diffusion coefficient. Numerical results for a variety of random fields with different smoothness parameters in the Matérn covariance function show that sample recycling is more efficient when the input random field is nonsmooth.

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arXiv2018

Circulant embedding with QMC -- analysis for elliptic PDE with lognormal coefficients

In a previous paper (J. Comp. Phys. 230 (2011), 3668--3694), the authors proposed a new practical method for computing expected values of functionals of solutions for certain classes of elliptic partial differential equations with random coefficients. This method was based on combining quasi-Monte Carlo (QMC) methods for computing the expected values with circulant embedding methods for sampling the random field on a regular grid. It was found capable of handling fluid flow problems in random heterogeneous media with high stochastic dimension, but a convergence theory was missing. This paper provides a convergence analysis for the method in the case when the QMC method is a specially designed randomly shifted lattice rule. The convergence result depends on the eigenvalues of the underlying nested block circulant matrix and can be independent of the number of stochastic variables under certain assumptions. In fact the QMC analysis applies to general factorisations of the covariance matrix to sample the random field. The error analysis for the underlying fully discrete finite element method allows for locally refined meshes (via interpolation from a regular sampling grid of the random field). Numerical results on a non-regular domain with corner singularities in two spatial dimensions and on a regular domain in three spatial dimensions are included.

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arXiv2018

Analysis of circulant embedding methods for sampling stationary random fields

In this paper we prove, under mild conditions, that the positive definiteness of the circulant matrix appearing in the circulant embedding method is always guaranteed, provided the enclosing cube is sufficiently large. We examine in detail the case of the Matérn covariance, and prove (for fixed correlation length) that, as $h_0\rightarrow 0$, positive definiteness is guaranteed when the random field is sampled on a cube of size order $(1 + ν^{1/2} \log h_0^{-1})$ times larger than the size of the physical domain. (Here $h_0$ is the mesh spacing of the regular grid and $ν$ the Matérn smoothness parameter.) We show that the sampling cube can become smaller as the correlation length decreases when $h_0$ and $ν$ are fixed. Our results are confirmed by numerical experiments. We prove several results about the decay of the eigenvalues of the circulant matrix. These lead to the conjecture, verified by numerical experiment, that they decay with the same rate as the Karhunen--Loève eigenvalues of the covariance operator.

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arXiv2018

Multivariate integration over $\R^s$ with exponential rate of convergence

In this paper we analyze the approximation of multivariate integrals over the Euclidean plane for functions which are analytic. We show explicit upper bounds which attain the exponential rate of convergence. We use an infinite grid with different mesh sizes and lengths in each direction to sample the function, and then truncate it. In our analysis, the mesh sizes and the truncated domain are chosen by optimally balancing the truncation error and the discretization error. This paper derives results in comparable function space settings, extended to $\R^s$, as which were recently obtained in the unit cube by Dick, Larcher, Pillichshammer and Wo{ź}niakowski (2011). They showed that both lattice rules and regular grids, with different mesh sizes in each direction, attain exponential rates, hence motivating us to analyze only cubature formula based on regular meshes. We further also amend the analysis of older publications, e.g., Sloan and Osborn (1987) and Sugihara (1987), using lattice rules on $\R^s$ by taking the truncation error into account and extending them to take the anisotropy of the function space into account.

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arXiv2017

Successive Coordinate Search and Component-by-Component Construction of Rank-1 Lattice Rules

The (fast) component-by-component (CBC) algorithm is an efficient tool for the construction of generating vectors for quasi-Monte Carlo rank-1 lattice rules in weighted reproducing kernel Hilbert spaces. We consider product weights, which assigns a weight to each dimension. These weights encode the effect a certain variable (or a group of variables by the product of the individual weights) has. Smaller weights indicate less importance. Kuo (2003) proved that the CBC algorithm achieves the optimal rate of convergence in the respective function spaces, but this does not imply the algorithm will find the generating vector with the smallest worst-case error. In fact it does not. We investigate a generalization of the component-by-component construction that allows for a general successive coordinate search (SCS), based on an initial generating vector, and with the aim of getting closer to the smallest worst-case error. The proposed method admits the same type of worst-case error bounds as the CBC algorithm, independent of the choice of the initial vector. Under the same summability conditions on the weights as in [Kuo,2003] the error bound of the algorithm can be made independent of the dimension $d$ and we achieve the same optimal order of convergence for the function spaces from [Kuo,2003]. Moreover, a fast version of our method, based on the fast CBC algorithm by Nuyens and Cools, is available, reducing the computational cost of the algorithm to $O(d \, n \log(n))$ operations, where $n$ denotes the number of function evaluations. Numerical experiments seeded by a Korobov-type generating vector show that the new SCS algorithm will find better choices than the CBC algorithm and the effect is better when the weights decay slower.

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arXiv2017

Hot new directions for quasi-Monte Carlo research in step with applications

This article provides an overview of some interfaces between the theory of quasi-Monte Carlo (QMC) methods and applications. We summarize three QMC theoretical settings: first order QMC methods in the unit cube $[0,1]^s$ and in $\mathbb{R}^s$, and higher order QMC methods in the unit cube. One important feature is that their error bounds can be independent of the dimension $s$ under appropriate conditions on the function spaces. Another important feature is that good parameters for these QMC methods can be obtained by fast efficient algorithms even when $s$ is large. We outline three different applications and explain how they can tap into the different QMC theory. We also discuss three cost saving strategies that can be combined with QMC in these applications. Many of these recent QMC theory and methods are developed not in isolation, but in close connection with applications.

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arXiv2017

Application of quasi-Monte Carlo methods to PDEs with random coefficients -- an overview and tutorial

This article provides a high-level overview of some recent works on the application of quasi-Monte Carlo (QMC) methods to PDEs with random coefficients. It is based on an in-depth survey of a similar title by the same authors, with an accompanying software package which is also briefly discussed here. Embedded in this article is a step-by-step tutorial of the required analysis for the setting known as the uniform case with first order QMC rules. The aim of this article is to provide an easy entry point for QMC experts wanting to start research in this direction and for PDE analysts and practitioners wanting to tap into contemporary QMC theory and methods.

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