In this work, we propose a simple yet generic preconditioned Krylov subspace method for a large class of nonsymmetric block Toeplitz all-at-once systems arising from discretizing evolutionary partial differential equations. Namely, our main result is a novel symmetric positive definite preconditioner, which can be efficiently diagonalized by the discrete sine transform matrix. More specifically, our approach is to first permute the original linear system to obtain a symmetric one, and subsequently develop a desired preconditioner based on the spectral symbol of the modified matrix. Then, we show that the eigenvalues of the preconditioned matrix sequences are clustered around $\pm 1$, which entails rapid convergence, when the minimal residual method is devised. Alternatively, when the conjugate gradient method on normal equations is used, we show that our preconditioner is effective in the sense that the eigenvalues of the preconditioned matrix sequence are clustered around the unity. An extension of our proposed preconditioned method is given for high-order backward difference time discretization schemes, which applies on a wide range of time-dependent equations. Numerical examples are given to demonstrate the effectiveness of our proposed preconditioner, which consistently outperforms an existing block circulant preconditioner discussed in the relevant literature.
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In this paper, an upwind GFDM is developed for the coupled heat and mass transfer problems in porous media. GFDM is a meshless method that can obtain the difference schemes of spatial derivatives by using Taylor expansion in local node influence domains and the weighted least squares method. The first-order single-point upstream scheme in the FDM/FVM-based reservoir simulator is introduced to GFDM to form the upwind GFDM, based on which, a sequential coupled discrete scheme of the pressure diffusion equation and the heat convection-conduction equation is solved to obtain pressure and temperature profiles. This paper demonstrates that this method can be used to obtain the meshless solution of the convection-diffusion equation with a stable upwind effect. For porous flow problems, the upwind GFDM is more practical and stable than the method of manually adjusting the influence domain based on the prior information of the flow field to achieve the upwind effect. Two types of calculation errors are analyzed, and three numerical examples are implemented to illustrate the good calculation accuracy and convergence of the upwind GFDM for heat and mass transfer problems in porous media, and indicate the increase of the radius of the node influence domain will increase the calculation error of temperature profiles. Overall, the upwind GFDM discretizes the computational domain using only a point cloud that is generated with much less topological constraints than the generated mesh, but achieves good computational performance as the mesh-based approaches, and therefore has great potential to be developed as a general-purpose numerical simulator for various porous flow problems in domains with complex geometry.
While algorithms for planar graphs have received a lot of attention, few papers have focused on the additional power that one gets from assuming an embedding of the graph is available. While in the classic sequential setting, this assumption gives no additional power (as a planar graph can be embedded in linear time), we show that this is far from being the case in other settings. We assume that the embedding is straight-line, but our methods also generalize to non-straight-line embeddings. Specifically, we focus on sublinear-time computation and massively parallel computation (MPC). Our main technical contribution is a sublinear-time algorithm for computing a relaxed version of an $r$-division. We then show how this can be used to estimate Lipschitz additive graph parameters. This includes, for example, the maximum matching, maximum independent set, or the minimum dominating set. We also show how this can be used to solve some property testing problems with respect to the vertex edit distance. In the second part of our paper, we show an MPC algorithm that computes an $r$-division of the input graph. We show how this can be used to solve various classical graph problems with space per machine of $O(n^{2/3+\epsilon})$ for some $\epsilon>0$, and while performing $O(1)$ rounds. This includes for example approximate shortest paths or the minimum spanning tree. Our results also imply an improved MPC algorithm for Euclidean minimum spanning tree.
We extend the Deep Galerkin Method (DGM) introduced in Sirignano and Spiliopoulos (2018)} to solve a number of partial differential equations (PDEs) that arise in the context of optimal stochastic control and mean field games. First, we consider PDEs where the function is constrained to be positive and integrate to unity, as is the case with Fokker-Planck equations. Our approach involves reparameterizing the solution as the exponential of a neural network appropriately normalized to ensure both requirements are satisfied. This then gives rise to nonlinear a partial integro-differential equation (PIDE) where the integral appearing in the equation is handled by a novel application of importance sampling. Secondly, we tackle a number of Hamilton-Jacobi-Bellman (HJB) equations that appear in stochastic optimal control problems. The key contribution is that these equations are approached in their unsimplified primal form which includes an optimization problem as part of the equation. We extend the DGM algorithm to solve for the value function and the optimal control \simultaneously by characterizing both as deep neural networks. Training the networks is performed by taking alternating stochastic gradient descent steps for the two functions, a technique inspired by the policy improvement algorithms (PIA).
Many existing algorithms for streaming geometric data analysis have been plagued by exponential dependencies in the space complexity, which are undesirable for processing high-dimensional data sets. In particular, once $d\geq\log n$, there are no known non-trivial streaming algorithms for problems such as maintaining convex hulls and L\"owner-John ellipsoids of $n$ points, despite a long line of work in streaming computational geometry since [AHV04]. We simultaneously improve these results to $\mathrm{poly}(d,\log n)$ bits of space by trading off with a $\mathrm{poly}(d,\log n)$ factor distortion. We achieve these results in a unified manner, by designing the first streaming algorithm for maintaining a coreset for $\ell_\infty$ subspace embeddings with $\mathrm{poly}(d,\log n)$ space and $\mathrm{poly}(d,\log n)$ distortion. Our algorithm also gives similar guarantees in the \emph{online coreset} model. Along the way, we sharpen results for online numerical linear algebra by replacing a log condition number dependence with a $\log n$ dependence, answering a question of [BDM+20]. Our techniques provide a novel connection between leverage scores, a fundamental object in numerical linear algebra, and computational geometry. For $\ell_p$ subspace embeddings, we give nearly optimal trade-offs between space and distortion for one-pass streaming algorithms. For instance, we give a deterministic coreset using $O(d^2\log n)$ space and $O((d\log n)^{1/2-1/p})$ distortion for $p>2$, whereas previous deterministic algorithms incurred a $\mathrm{poly}(n)$ factor in the space or the distortion [CDW18]. Our techniques have implications in the offline setting, where we give optimal trade-offs between the space complexity and distortion of subspace sketch data structures. To do this, we give an elementary proof of a "change of density" theorem of [LT80] and make it algorithmic.
The scattering and transmission of harmonic acoustic waves at a penetrable material are commonly modelled by a set of Helmholtz equations. This system of partial differential equations can be rewritten into boundary integral equations defined at the surface of the objects and solved with the boundary element method (BEM). High frequencies or geometrical details require a fine surface mesh, which increases the number of degrees of freedom in the weak formulation. Then, matrix compression techniques need to be combined with iterative linear solvers to limit the computational footprint. Moreover, the convergence of the iterative linear solvers often depends on the frequency of the wave field and the objects' characteristic size. Here, the robust PMCHWT formulation is used to solve the acoustic transmission problem. An operator preconditioner based on on-surface radiation conditions (OSRC) is designed that yields frequency-robust convergence characteristics. Computational benchmarks compare the performance of this novel preconditioned formulation with other preconditioners and boundary integral formulations. The OSRC preconditioned PMCHWT formulation effectively simulates large-scale problems of engineering interest, such as focused ultrasound treatment of osteoid osteoma.
This paper makes the first attempt to apply newly developed upwind GFDM for the meshless solution of two-phase porous flow equations. In the presented method, node cloud is used to flexibly discretize the computational domain, instead of complicated mesh generation. Combining with moving least square approximation and local Taylor expansion, spatial derivatives of oil-phase pressure at a node are approximated by generalized difference operators in the local influence domain of the node. By introducing the first-order upwind scheme of phase relative permeability, and combining the discrete boundary conditions, fully-implicit GFDM-based nonlinear discrete equations of the immiscible two-phase porous flow are obtained and solved by the nonlinear solver based on the Newton iteration method with the automatic differentiation, to avoid the additional computational cost and possible computational instability caused by sequentially coupled scheme. Two numerical examples are implemented to test the computational performances of the presented method. Detailed error analysis finds the two sources of the calculation error, roughly studies the convergence order thus find that the low-order error of GFDM makes the convergence order of GFDM lower than that of FDM when node spacing is small, and points out the significant effect of the symmetry or uniformity of the node collocation in the node influence domain on the accuracy of generalized difference operators, and the radius of the node influence domain should be small to achieve high calculation accuracy, which is a significant difference between the studied hyperbolic two-phase porous flow problem and the elliptic problems when GFDM is applied.
In this article we suggest two discretization methods based on isogeometric analysis (IGA) for planar linear elasticity. On the one hand, we apply the well-known ansatz of weakly imposed symmetry for the stress tensor and obtain a well-posed mixed formulation. Such modified mixed problems have been already studied by different authors. But we concentrate on the exploitation of IGA results to handle also curved boundary geometries. On the other hand, we consider the more complicated situation of strong symmetry, i.e. we discretize the mixed weak form determined by the so-called Hellinger-Reissner variational principle. We show the existence of suitable approximate fields leading to an inf-sup stable saddle-point problem. For both discretization approaches we prove convergence statements and in case of weak symmetry we illustrate the approximation behavior by means of several numerical experiments.
Multigrid is a powerful solver for large-scale linear systems arising from discretized partial differential equations. The convergence theory of multigrid methods for symmetric positive definite problems has been well developed over the past decades, while, for nonsymmetric problems, such theory is still not mature. As a foundation for multigrid analysis, two-grid convergence theory plays an important role in motivating multigrid algorithms. Regarding two-grid methods for nonsymmetric problems, most previous works focus on the spectral radius of iteration matrix or rely on convergence measures that are typically difficult to compute in practice. Moreover, the existing results are confined to two-grid methods with exact solution of the coarse-grid system. In this paper, we analyze the convergence of a two-grid method for nonsymmetric positive definite problems (e.g., linear systems arising from the discretizations of convection-diffusion equations). In the case of exact coarse solver, we establish an elegant identity for characterizing two-grid convergence factor, which is measured by a smoother-induced norm. The identity can be conveniently used to derive a class of optimal restriction operators and analyze how the convergence factor is influenced by restriction. More generally, we present some convergence estimates for an inexact variant of the two-grid method, in which both linear and nonlinear coarse solvers are considered.
We introduce a novel methodology for particle filtering in dynamical systems where the evolution of the signal of interest is described by a SDE and observations are collected instantaneously at prescribed time instants. The new approach includes the discretisation of the SDE and the design of efficient particle filters for the resulting discrete-time state-space model. The discretisation scheme converges with weak order 1 and it is devised to create a sequential dependence structure along the coordinates of the discrete-time state vector. We introduce a class of space-sequential particle filters that exploits this structure to improve performance when the system dimension is large. This is numerically illustrated by a set of computer simulations for a stochastic Lorenz 96 system with additive noise. The new space-sequential particle filters attain approximately constant estimation errors as the dimension of the Lorenz 96 system is increased, with a computational cost that increases polynomially, rather than exponentially, with the system dimension. Besides the new numerical scheme and particle filters, we provide in this paper a general framework for discrete-time filtering in continuous-time dynamical systems described by a SDE and instantaneous observations. Provided that the SDE is discretised using a weakly-convergent scheme, we prove that the marginal posterior laws of the resulting discrete-time state-space model converge to the posterior marginal posterior laws of the original continuous-time state-space model under a suitably defined metric. This result is general and not restricted to the numerical scheme or particle filters specifically studied in this manuscript.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
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