Scientific and engineering problems often involve parametric partial differential equations (PDEs), such as uncertainty quantification, optimizations, and inverse problems. However, solving these PDEs repeatedly can be prohibitively expensive, especially for large-scale complex applications. To address this issue, reduced order modeling (ROM) has emerged as an effective method to reduce computational costs. However, ROM often requires significant modifications to the existing code, which can be time-consuming and complex, particularly for large-scale legacy codes. Non-intrusive methods have gained attention as an alternative approach. However, most existing non-intrusive approaches are purely data-driven and may not respect the underlying physics laws during the online stage, resulting in less accurate approximations of the reduced solution. In this study, we propose a new non-intrusive bi-fidelity reduced basis method for time-independent parametric PDEs. Our algorithm utilizes the discrete operator, solutions, and right-hand sides obtained from the high-fidelity legacy solver. By leveraging a low-fidelity model, we efficiently construct the reduced operator and right-hand side for new parameter values during the online stage. Unlike other non-intrusive ROM methods, we enforce the reduced equation during the online stage. In addition, the non-intrusive nature of our algorithm makes it straightforward and applicable to general nonlinear time-independent problems. We demonstrate its performance through several benchmark examples, including nonlinear and multiscale PDEs.
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We discuss a system of stochastic differential equations with a stiff linear term and additive noise driven by fractional Brownian motions (fBms) with Hurst parameter H>1/2, which arise e. g., from spatial approximations of stochastic partial differential equations. For their numerical approximation, we present an exponential Euler scheme and show that it converges in the strong sense with an exact rate close to the Hurst parameter H. Further, based on [2], we conclude the existence of a unique stationary solution of the exponential Euler scheme that is pathwise asymptotically stable.
Block majorization-minimization (BMM) is a simple iterative algorithm for nonconvex constrained optimization that sequentially minimizes majorizing surrogates of the objective function in each block coordinate while the other coordinates are held fixed. BMM entails a large class of optimization algorithms such as block coordinate descent and its proximal-point variant, expectation-minimization, and block projected gradient descent. We establish that for general constrained nonconvex optimization, BMM with strongly convex surrogates can produce an $\epsilon$-stationary point within $O(\epsilon^{-2}(\log \epsilon^{-1})^{2})$ iterations and asymptotically converges to the set of stationary points. Furthermore, we propose a trust-region variant of BMM that can handle surrogates that are only convex and still obtain the same iteration complexity and asymptotic stationarity. These results hold robustly even when the convex sub-problems are inexactly solved as long as the optimality gaps are summable. As an application, we show that a regularized version of the celebrated multiplicative update algorithm for nonnegative matrix factorization by Lee and Seung has iteration complexity of $O(\epsilon^{-2}(\log \epsilon^{-1})^{2})$. The same result holds for a wide class of regularized nonnegative tensor decomposition algorithms as well as the classical block projected gradient descent algorithm. These theoretical results are validated through various numerical experiments.
We present new Dirichlet-Neumann and Neumann-Dirichlet algorithms with a time domain decomposition applied to unconstrained parabolic optimal control problems. After a spatial semi-discretization, we use the Lagrange multiplier approach to derive a coupled forward-backward optimality system, which can then be solved using a time domain decomposition. Due to the forward-backward structure of the optimality system, three variants can be found for the Dirichlet-Neumann and Neumann-Dirichlet algorithms. We analyze their convergence behavior and determine the optimal relaxation parameter for each algorithm. Our analysis reveals that the most natural algorithms are actually only good smoothers, and there are better choices which lead to efficient solvers. We illustrate our analysis with numerical experiments.
Partial differential equations (PDEs) have become an essential tool for modeling complex physical systems. Such equations are typically solved numerically via mesh-based methods, such as finite element methods, the outputs of which consist of the solutions on a set of mesh nodes over the spatial domain. However, these simulations are often prohibitively costly to survey the input space. In this paper, we propose an efficient emulator that simultaneously predicts the outputs on a set of mesh nodes, with theoretical justification of its uncertainty quantification. The novelty of the proposed method lies in the incorporation of the mesh node coordinates into the statistical model. In particular, the proposed method segments the mesh nodes into multiple clusters via a Dirichlet process prior and fits a Gaussian process model in each. Most importantly, by revealing the underlying clustering structures, the proposed method can extract valuable flow physics present in the systems that can be used to guide further investigations. Real examples are demonstrated to show that our proposed method has smaller prediction errors than its main competitors, with competitive computation time, and identifies interesting clusters of mesh nodes that exhibit coherent input-output relationships and possess physical significance, such as satisfying boundary conditions. An R package for the proposed methodology is provided in an open repository.
We introduce a new class of absorbing boundary conditions (ABCs) for the Helmholtz equation. The proposed ABCs can be derived from a certain simple class of perfectly matched layers using $L$ discrete layers and using the $Q_N$ Lagrange finite element in conjunction with the $N$-point Gauss-Legendre quadrature reduced integration rule. The proposed ABCs are classified by a tuple $(L,N)$, and achieve reflection error of order $O(R^{2LN})$ for some $R<1$. The new ABCs generalise the perfectly matched discrete layers proposed by Guddati and Lim [Int. J. Numer. Meth. Engng 66 (6) (2006) 949-977], including them as type $(L,1)$. An analysis of the proposed ABCs is performed motivated by the work of Ainsworth [J. Comput. Phys. 198 (1) (2004) 106-130]. The new ABCs facilitate numerical implementations of the Helmholtz problem with ABCs if $Q_N$ finite elements are used in the physical domain. Moreover, giving more insight, the analysis presented in this work potentially aids with developing ABCs in related areas.
We consider the solution of large stiff systems of ordinary differential equations with explicit exponential Runge--Kutta integrators. These problems arise from semi-discretized semi-linear parabolic partial differential equations on continuous domains or on inherently discrete graph domains. A series of results reduces the requirement of computing linear combinations of $\varphi$-functions in exponential integrators to the approximation of the action of a smaller number of matrix exponentials on certain vectors. State-of-the-art computational methods use polynomial Krylov subspaces of adaptive size for this task. They have the drawback that the required number of Krylov subspace iterations to obtain a desired tolerance increase drastically with the spectral radius of the discrete linear differential operator, e.g., the problem size. We present an approach that leverages rational Krylov subspace methods promising superior approximation qualities. We prove a novel a-posteriori error estimate of rational Krylov approximations to the action of the matrix exponential on vectors for single time points, which allows for an adaptive approach similar to existing polynomial Krylov techniques. We discuss pole selection and the efficient solution of the arising sequences of shifted linear systems by direct and preconditioned iterative solvers. Numerical experiments show that our method outperforms the state of the art for sufficiently large spectral radii of the discrete linear differential operators. The key to this are approximately constant numbers of rational Krylov iterations, which enable a near-linear scaling of the runtime with respect to the problem size.
We consider a linear implicit-explicit (IMEX) time discretization of the Cahn-Hilliard equation with a source term, endowed with Dirichlet boundary conditions. For every time step small enough, we build an exponential attractor of the discrete-in-time dynamical system associated to the discretization. We prove that, as the time step tends to 0, this attractor converges for the symmmetric Hausdorff distance to an exponential attractor of the continuous-in-time dynamical system associated with the PDE. We also prove that the fractal dimension of the exponential attractor (and consequently, of the global attractor) is bounded by a constant independent of the time step. The results also apply to the classical Cahn-Hilliard equation with Neumann boundary conditions.
We analyze a space-time hybridizable discontinuous Galerkin method to solve the time-dependent advection-diffusion equation on deforming domains. We prove stability of the discretization in the advection-dominated regime by using weighted test functions and derive a priori space-time error estimates. A numerical example illustrates the theoretical results.
We propose a general framework for solving forward and inverse problems constrained by partial differential equations, where we interpolate neural networks onto finite element spaces to represent the (partial) unknowns. The framework overcomes the challenges related to the imposition of boundary conditions, the choice of collocation points in physics-informed neural networks, and the integration of variational physics-informed neural networks. A numerical experiment set confirms the framework's capability of handling various forward and inverse problems. In particular, the trained neural network generalises well for smooth problems, beating finite element solutions by some orders of magnitude. We finally propose an effective one-loop solver with an initial data fitting step (to obtain a cheap initialisation) to solve inverse problems.
Differential geometric approaches are ubiquitous in several fields of mathematics, physics and engineering, and their discretizations enable the development of network-based mathematical and computational frameworks, which are essential for large-scale data science. The Forman-Ricci curvature (FRC) - a statistical measure based on Riemannian geometry and designed for networks - is known for its high capacity for extracting geometric information from complex networks. However, extracting information from dense networks is still challenging due to the combinatorial explosion of high-order network structures. Motivated by this challenge we sought a set-theoretic representation theory for high-order network cells and FRC, as well as their associated concepts and properties, which together provide an alternative and efficient formulation for computing high-order FRC in complex networks. We provide a pseudo-code, a software implementation coined FastForman, as well as a benchmark comparison with alternative implementations. Crucially, our representation theory reveals previous computational bottlenecks and also accelerates the computation of FRC. As a consequence, our findings open new research possibilities in complex systems where higher-order geometric computations are required.
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