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Barbara Wohlmuth

Publications and source records attributed to Barbara Wohlmuth.

At least 91 records · Page 5Linked to original sources

The surrogate matrix methodology: a priori error estimation

We give the first mathematically rigorous analysis of an emerging approach to finite element analysis (see, e.g., Bauer et al. [Appl. Numer. Math., 2017]), which we hereby refer to as the surrogate matrix methodology. This methodology is based on the piece-wise smooth approximation of the matrices involved in a standard finite element discretization. In particular, it relies on the projection of smooth so-called stencil functions onto high-order polynomial subspaces. The performance advantage of the surrogate matrix methodology is seen in constructions where each stencil function uniquely determines the values of a significant collection of matrix entries. Such constructions are shown to be widely achievable through the use of locally-structured meshes. Therefore, this methodology can be applied to a wide variety of physically meaningful problems, including nonlinear problems and problems with curvilinear geometries. Rigorous a priori error analysis certifies the convergence of a novel surrogate method for the variable coefficient Poisson equation. The flexibility of the methodology is also demonstrated through the construction of novel methods for linear elasticity and nonlinear diffusion problems. In numerous numerical experiments, we demonstrate the efficacy of these new methods in a matrix-free environment with geometric multigrid solvers. In our experiments, up to a twenty-fold decrease in computation time is witnessed over the classical method with an otherwise identical implementation.

math.NA↗

On the relation between parameters and discharge data for a lumped karst aquifer model

Hydrological models of karst aquifers are often semi-distributed, and physical processes such as infiltration and spring discharge generation are described in a lumped way. Several works have previously addressed the problems associated with the calibration of such models, highlighting in particular the issue of model parameter estimation and model equifinality. In this work, we investigate the problem of model calibration using the active subspace (AS) method, a novel tool for model parameter dimension reduction. We apply the method to a newly proposed hydrological model for karst aquifers, LuKARS, to investigate if the AS framework identifies catchment-specific characteristics or if the results only depend on the chosen model structure. Therefore, we consider four different case studies, three synthetic and one real case (Kerschbaum springshed in Waidhofen a.d. Ybbs, Austria), with varying hydrotope distributions and properties. We find that both the hydrotope area coverage and the catchment characteristics have major impacts on parameter sensitivities. While model parameters are similarly informed in scenarios with less varying catchment characteristics, we find significant differences in parameter sensitivities when the applied hydrotopes were different from each other. Our results show that the AS method can be used to investigate the relation between the model structure, the area of a hydrotope, the physical properties of a catchment and the discharge data. Finally, we successfully effectively reduce the parameter dimensions of the LuKARS model for the Kerschbaum case study using the AS method. The model with reduced parameter dimensions is able to reproduce the observed impacts of land use changes in the Kerschbaum springshed, highlighting the robustness of the hydrotope-based modeling approach of LuKARS and its applicability for land use change impact studies in karstic systems.

physics.geo-ph↗

Splitting method for elliptic equations with line sources

In this paper, we study the mathematical structure and numerical approximation of elliptic problems posed in a (3D) domain $Ω$ when the right-hand side is a (1D) line source $Λ$. The analysis and approximation of such problems is known to be non-standard as the line source causes the solution to be singular. Our main result is a splitting theorem for the solution; we show that the solution admits a split into an explicit, low regularity term capturing the singularity, and a high-regularity correction term $w$ being the solution of a suitable elliptic equation. The splitting theorem states the mathematical structure of the solution; in particular, we find that the solution has anisotropic regularity. More precisely, the solution fails to belong to $H^1$ in the neighbourhood of $Λ$, but exhibits piecewise $H^2$-regularity parallel to $Λ$. The splitting theorem can further be used to formulate a numerical method in which the solution is approximated via its correction function $w$. This approach has several benefits. Firstly, it recasts the problem as a 3D elliptic problem with a 3D right-hand side belonging to $L^2$, a problem for which the discretizations and solvers are readily available. Secondly, it makes the numerical approximation independent of the discretization of $Λ$; thirdly, it improves the approximation properties of the numerical method. We consider here the Galerkin finite element method, and show that the singularity subtraction then recovers optimal convergence rates on uniform meshes, i.e., without needing to refine the mesh around each line segment. The numerical method presented in this paper is therefore well-suited for applications involving a large number of line segments. We illustrate this by treating a dataset (consisting of $\sim 3000$ line segments) describing the vascular system of the brain.

math.NA↗

Analysis of boundary effects on PDE-based sampling of Whittle-Matérn random fields

We consider the generation of samples of a mean-zero Gaussian random field with Matérn covariance function. Every sample requires the solution of a differential equation with Gaussian white noise forcing, formulated on a bounded computational domain. This introduces unwanted boundary effects since the stochastic partial differential equation is originally posed on the whole $\mathbb{R}^d$, without boundary conditions. We use a window technique, whereby one embeds the computational domain into a larger domain, and postulates convenient boundary conditions on the extended domain. To mitigate the pollution from the artificial boundary it has been suggested in numerical studies to choose a window size that is at least as large as the correlation length of the Matérn field. We provide a rigorous analysis for the error in the covariance introduced by the window technique, for homogeneous Dirichlet, homogeneous Neumann, and periodic boundary conditions. We show that the error decays exponentially in the window size, independently of the type of boundary condition. We conduct numerical experiments in 1D and 2D space, confirming our theoretical results.

math.NA↗

Efficient parameter estimation for a methane hydrate model with active subspaces

Methane gas hydrates have increasingly become a topic of interest because of their potential as a future energy resource. There are significant economical and environmental risks associated with extraction from hydrate reservoirs, so a variety of multiphysics models have been developed to analyze prospective risks and benefits. These models generally have a large number of empirical parameters which are not known a priori. Traditional optimization-based parameter estimation frameworks may be ill-posed or computationally prohibitive. Bayesian inference methods have increasingly been found effective for estimating parameters in complex geophysical systems. These methods often are not viable in cases of computationally expensive models and high-dimensional parameter spaces. Recently, methods have been developed to effectively reduce the dimension of Bayesian inverse problems by identifying low-dimensional structures that are most informed by data. Active subspaces is one of the most generally applicable methods of performing this dimension reduction. In this paper, Bayesian inference of the parameters of a state-of-the-art mathematical model for methane hydrates based on experimental data from a triaxial compression test with gas hydrate-bearing sand is performed in an efficient way by utilizing active subspaces. Active subspaces are used to identify low-dimensional structure in the parameter space which is exploited by generating a cheap regression-based surrogate model and implementing a modified Markov chain Monte Carlo algorithm. Posterior densities having means that match the experimental data are approximated in a computationally efficient way.

math.NA↗

A stencil scaling approach for accelerating matrix-free finite element implementations

We present a novel approach to fast on-the-fly low order finite element assembly for scalar elliptic partial differential equations of Darcy type with variable coefficients optimized for matrix-free implementations. Our approach introduces a new operator that is obtained by appropriately scaling the reference stiffness matrix from the constant coefficient case. Assuming sufficient regularity, an a priori analysis shows that solutions obtained by this approach are unique and have asymptotically optimal order convergence in the $H^1$- and the $L^2$-norm on hierarchical hybrid grids. For the pre-asymptotic regime, we present a local modification that guarantees uniform ellipticity of the operator. Cost considerations show that our novel approach requires roughly one third of the floating-point operations compared to a classical finite element assembly scheme employing nodal integration. Our theoretical considerations are illustrated by numerical tests that confirm the expectations with respect to accuracy and run-time. A large scale application with more than a hundred billion ($1.6\cdot10^{11}$) degrees of freedom executed on 14,310 compute cores demonstrates the efficiency of the new scaling approach.

math.NA↗

Well-posedness and numerical treatment of the Blackstock equation in nonlinear acoustics

We study the Blackstock equation which models the propagation of nonlinear sound waves through dissipative fluids. Global well-posedness of the model with homogeneous Dirichlet boundary conditions is shown for small initial data. To this end, we employ a fixed-point technique coupled with well-posedness results for a linearized model and appropriate energy estimates. Furthermore, we obtain exponential decay for the energy of the solution. We present additionally a finite element-based method for solving the Blackstock equation and illustrate the behavior of solutions through several numerical experiments.

math.AP↗

A hybrid isogeometric approach on multi-patches with applications to Kirchhoff plates and eigenvalue problems

We present a systematic study on higher-order penalty techniques for isogeometric mortar methods. In addition to the weak-continuity enforced by a mortar method, normal derivatives across the interface are penalized. The considered applications are fourth order problems as well as eigenvalue problems for second and fourth order equations. The hybrid coupling enables the discretization of fourth order problems in a multi-patch setting as well as a convenient implementation of natural boundary conditions. For second order eigenvalue problems, the pollution of the discrete spectrum - typically referred to as 'outliers' - can be avoided. Numerical results illustrate the good behaviour of the proposed method in simple systematic studies as well as more complex multi-patch mapped geometries for linear elasticity and Kirchhoff plates.

math.NA↗

Biorthogonal splines for optimal weak patch-coupling in isogeometric analysis with applications to finite deformation elasticity

A new construction of biorthogonal splines for isogeometric mortar methods is proposed. The biorthogonal basis has a local support and, at the same time, optimal approximation properties, which yield optimal results with mortar methods. We first present the univariate construction, which has an inherent crosspoint modification. The multivariate construction is then based on a tensor product for weighted integrals, whereby the important properties are inherited from the univariate case. Numerical results including large deformations confirm the optimality of the newly constructed biorthogonal basis.

math.NA↗

Adaptive control in rollforward recovery for extreme scale multigrid

With the increasing number of compute components, failures in future exa-scale computer systems are expected to become more frequent. This motivates the study of novel resilience techniques. Here, we extend a recently proposed algorithm-based recovery method for multigrid iterations by introducing an adaptive control. After a fault, the healthy part of the system continues the iterative solution process, while the solution in the faulty domain is re-constructed by an asynchronous on-line recovery. The computations in both the faulty and healthy subdomains must be coordinated in a sensitive way, in particular, both under and over-solving must be avoided. Both of these waste computational resources and will therefore increase the overall time-to-solution. To control the local recovery and guarantee an optimal re-coupling, we introduce a stopping criterion based on a mathematical error estimator. It involves hierarchical weighted sums of residuals within the context of uniformly refined meshes and is well-suited in the context of parallel high-performance computing. The re-coupling process is steered by local contributions of the error estimator. We propose and compare two criteria which differ in their weights. Failure scenarios when solving up to $6.9\cdot10^{11}$ unknowns on more than 245\,766 parallel processes will be reported on a state-of-the-art peta-scale supercomputer demonstrating the robustness of the method.

cs.MS↗

Goal-oriented adaptive surrogate construction for stochastic inversion

Stochastic inverse problems are generally solved by some form of finite sampling of a space of uncertain parameters. For computationally expensive models, surrogate response surfaces are often employed to increase the number of samples used in approximating the solution. The result is generally a trade off in errors where the stochastic error is reduced at the cost of an increase in deterministic/discretization errors in the evaluation of the surrogate. Such stochastic errors pollute predictions based on the stochastic inverse. In this work, we formulate a method for adaptively creating a special class of surrogate response surfaces with this stochastic error in mind. Adjoint techniques are used to enhance the local approximation properties of the surrogate allowing the construction of a higher-level enhanced surrogate. Using these two levels of surrogates, appropriately derived local error indicators are computed and used to guide refinement of both levels of the surrogates. Three types of refinement strategies are presented and combined in an iterative adaptive surrogate construction algorithm. Numerical examples, including a complex vibroacoustics application, demonstrate how this adaptive strategy allows for accurate predictions under uncertainty for a much smaller computational cost than uniform refinement.

math.NA↗

Operator splitting technique using streamline projection for two-phase flow in highly heterogeneous and anisotropic porous media

In this paper, we present a fast streamline-based numerical method for the two-phase flow equations in high-rate flooding scenarios for incompressible fluids in heterogeneous and anisotropic porous media. A fractional flow formulation is adopted and a discontinuous Galerkin method (DG) is employed to solve the pressure equation. Capillary effects can be neglected in high-rate flooding scenarios. This allows us to present an improved streamline approach in combination with the one-dimensional front tracking method to solve the transport equation. To handle the high computational costs of the DG approximation, domain decomposition is applied combined with an algebraic multigrid preconditioner to solve the linear system. Special care at the interior interfaces is required and the streamline tracer has to include a dynamic communication strategy. The method is validated in various two- and three-dimensional tests, where comparisons of the solutions in terms of approximation of flow front propagation with standard fully-implicit finite volume methods are provided.

math.NA↗

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.

cs.CE↗

Isogeometric shape optimization for nonlinear ultrasound focusing

The goal of this work is to improve focusing of high-intensity ultrasound by modifying the geometry of acoustic lenses through shape optimization. The shape optimization problem is formulated by introducing a tracking-type cost functional to match a desired pressure distribution in the focal region. Westervelt's equation, a nonlinear acoustic wave equation, is used to model the pressure field. We apply the optimize first, then discretize approach, where we first rigorously compute the shape derivative of our cost functional. A gradient-based optimization algorithm is then developed within the concept of isogeometric analysis, where the geometry is exactly represented by splines at every gradient step and the same basis is used to approximate the equations. Numerical experiments in a 2D setting illustrate our findings.

math.OC↗

Testing a coupled hydro-thermo-chemo-geomechanical model for gas hydrate bearing sediments using triaxial compression lab experiments

Natural gas hydrates are considered a potential resource for gas production on industrial scales. Gas hydrates contribute to the strength and stiffness of the hydrate-bearing sediments. During gas production, the geomechanical stability of the sediment is compromised. Due to the potential geotechnical risks and process management issues, the mechanical behavior of the gas hydrate-bearing sediments needs to be carefully considered. In this study, we describe a coupling concept that simplifies the mathematical description of the complex interactions occuring during gas production by isolating the effects of sediment deformation and hydrate phase changes. Central to this coupling concept is the assumption that the soil grains form the load-bearing solid skeleton, while the gas hydrate enhances the mechanical properties of this skeleton. We focus on testing this coupling concept in capturing the overall impact of geomechanics on gas production behavior though numerical simulation of a high-pressure isotropic compression experiment combined with methane hydrate formation and dissociation. We consider a linear-elastic stress-strain relationship because it is uniquely defined and easy to calibrate. Since, in reality, the geomechanical response of the hydrate bearing sediment is typically inelastic and is characterized by a significant shear-volumetric coupling, we control the experiment very carefully in order to keep the sample deformations small and well within the assumptions of poro-elasticity. The closely co-ordinated experimental and numerical procedures enable us to validate the proposed simplified geomechanics-to-flow coupling, and set an important precursor towards enhancing our coupled hydro-geomechanical hydrate reservoir simulator with more suitable elasto-plastic constitutive models.

math.NA↗

Higher order energy-corrected finite element methods

The regularity of the solution of elliptic partial differential equa- tions in a polygonal domain with re-entrant corners is, in general, reduced compared to the one on a smooth convex domain. This results in a best approximation property for standard norms which depend on the re-entrant corner but does not increase with the polynomial degree. Standard Galerkin approximations are moreover affected by a global pollution effect. Even in the far field no optimal error reduction can be observed. Here, we generalize the energy-correction method for higher order finite elements. It is based on a parameter-dependent local modification of the stiffness matrix. We will show firstly that for such modified finite element approximation the pollution effect does not occur and thus optimal order estimates in weighted L2-norms can be obtained. Two different modification techniques are introduced and illustrated numerically. Secondly we propose a simple post-processing step such that even with respect to the standard L2-norm optimal order convergence can be recovered.

math.NA↗

On the analysis of block smoothers for saddle point problems

In this article, we discuss several classes of Uzawa smoothers for the application in multigrid methods in the context of saddle point problems. Beside commonly used variants, such as the inexact and block factorization version, we also introduce a new symmetric method, belonging to the class of Uzawa smoothers. For these variants we unify the analysis of the smoothing properties, which is an important part in the multigrid convergence theory. These methods are applied to the Stokes problem for which all smoothers are implemented as pointwise relaxation methods. Several numerical examples illustrate the theoretical results.

math.NA↗

Model reduction for calibration of American options

American put options are among the most frequently traded single stock options, and their calibration is computationally challenging since no closed-form expression is available. Due to the higher flexibility in comparison to European options, the mathematical model involves additional constraints, and a variational inequality is obtained. We use the Heston stochastic volatility model to describe the price of a single stock option. In order to speed up the calibration process, we apply two model reduction strategies. Firstly, a reduced basis method (RBM) is used to define a suitable low-dimensional basis for the numerical approximation of the parameter-dependent partial differential equation ($μ$PDE) model. By doing so the computational complexity for solving the $μ$PDE is drastically reduced, and applications of standard minimization algorithms for the calibration are significantly faster than working with a high-dimensional finite element basis. Secondly, so-called de-Americanization strategies are applied. Here, the main idea is to reformulate the calibration problem for American options as a problem for European options and to exploit closed-form solutions. Both reduction techniques are systematically compared and tested for both synthetic and market data sets.

math.NA↗