arXiv subjects

Georg Stadler

Publications and source records attributed to Georg Stadler.

50 records · Page 3Linked to original sources

arXiv2017

Mitigating the Influence of the Boundary on PDE-based Covariance Operators

Gaussian random fields over infinite-dimensional Hilbert spaces require the definition of appropriate covariance operators. The use of elliptic PDE operators to construct covariance operators allows to build on fast PDE solvers for manipulations with the resulting covariance and precision operators. However, PDE operators require a choice of boundary conditions, and this choice can have a strong and usually undesired influence on the Gaussian random field. We propose two techniques that allow to ameliorate these boundary effects for large-scale problems. The first approach combines the elliptic PDE operator with a Robin boundary condition, where a varying Robin coefficient is computed from an optimization problem. The second approach normalizes the pointwise variance by rescaling the covariance operator. These approaches can be used individually or can be combined. We study properties of these approaches, and discuss their computational complexity. The performance of our approaches is studied for random fields defined over simple and complex two- and three-dimensional domains.

stat.ME↗

arXiv2017

Mean-variance risk-averse optimal control of systems governed by PDEs with random parameter fields using quadratic approximations

We present a method for optimal control of systems governed by partial differential equations (PDEs) with uncertain parameter fields. We consider an objective function that involves the mean and variance of the control objective, leading to a risk-averse optimal control problem. To make the problem tractable, we invoke a quadratic Taylor series approximation of the control objective with respect to the uncertain parameter. This enables deriving explicit expressions for the mean and variance of the control objective in terms of its gradients and Hessians with respect to the uncertain parameter. The risk-averse optimal control problem is then formulated as a PDE-constrained optimization problem with constraints given by the forward and adjoint PDEs defining these gradients and Hessians. The expressions for the mean and variance of the control objective under the quadratic approximation involve the trace of the (preconditioned) Hessian and are thus prohibitive to evaluate. To address this, we employ trace estimators that only require a modest number of Hessian-vector products. We illustrate our approach with two problems: the control of a semilinear elliptic PDE with an uncertain boundary source term, and the control of a linear elliptic PDE with an uncertain coefficient field. For the latter problem, we derive adjoint-based expressions for efficient computation of the gradient of the risk-averse objective with respect to the controls. Our method ensures that the cost of computing the risk-averse objective and its gradient with respect to the control, measured in the number of PDE solves, is independent of the (discretized) parameter and control dimensions, and depends only on the number of random vectors employed in the trace estimation. Finally, we present a comprehensive numerical study of an optimal control problem for fluid flow in a porous medium with uncertain permeability field.

math.OC↗

arXiv2017

A-optimal encoding weights for nonlinear inverse problems, with applications to the Helmholtz inverse problem

The computational cost of solving an inverse problem governed by PDEs, using multiple experiments, increases linearly with the number of experiments. A recently proposed method to decrease this cost uses only a small number of random linear combinations of all experiments for solving the inverse problem. This approach applies to inverse problems where the PDE solution depends linearly on the right-hand side function that models the experiment. As this method is stochastic in essence, the quality of the obtained reconstructions can vary, in particular when only a small number of combinations are used. We develop a Bayesian formulation for the definition and computation of encoding weights that lead to a parameter reconstruction with the least uncertainty. We call these weights A-optimal encoding weights. Our framework applies to inverse problems where the governing PDE is nonlinear with respect to the inversion parameter field. We formulate the problem in infinite dimensions and follow the optimize-then-discretize approach, devoting special attention to the discretization and the choice of numerical methods in order to achieve a computational cost that is independent of the parameter discretization. We elaborate our method for a Helmholtz inverse problem, and derive the adjoint-based expressions for the gradient of the objective function of the optimization problem for finding the A-optimal encoding weights. The proposed method is potentially attractive for real-time monitoring applications, where one can invest the effort to compute optimal weights offline, to later solve an inverse problem repeatedly, over time, at a fraction of the initial cost.

math.OC↗

arXiv2017

Weighted BFBT Preconditioner for Stokes Flow Problems with Highly Heterogeneous Viscosity

We present a weighted BFBT approximation (w-BFBT) to the inverse Schur complement of a Stokes system with highly heterogeneous viscosity. When used as part of a Schur complement-based Stokes preconditioner, we observe robust fast convergence for Stokes problems with smooth but highly varying (up to 10 orders of magnitude) viscosities, optimal algorithmic scalability with respect to mesh refinement, and only a mild dependence on the polynomial order of high-order finite element discretizations ($Q_k \times P_{k-1}^{disc}$, order $k \ge 2$). For certain difficult problems, we demonstrate numerically that w-BFBT significantly improves Stokes solver convergence over the widely used inverse viscosity-weighted pressure mass matrix approximation of the Schur complement. In addition, we derive theoretical eigenvalue bounds to prove spectral equivalence of w-BFBT. Using detailed numerical experiments, we discuss modifications to w-BFBT at Dirichlet boundaries that decrease the number of iterations. The overall algorithmic performance of the Stokes solver is governed by the efficacy of w-BFBT as a Schur complement approximation and, in addition, by our parallel hybrid spectral-geometric-algebraic multigrid (HMG) method, which we use to approximate the inverses of the viscous block and variable-coefficient pressure Poisson operators within w-BFBT. Building on the scalability of HMG, our Stokes solver achieves a parallel efficiency of 90% while weak scaling over a more than 600-fold increase from 48 to all 30,000 cores of TACC's Lonestar 5 supercomputer.

math.NA↗

arXiv2015

A Fast and Scalable Method for A-Optimal Design of Experiments for Infinite-dimensional Bayesian Nonlinear Inverse Problems

We address the problem of optimal experimental design (OED) for Bayesian nonlinear inverse problems governed by PDEs. The goal is to find a placement of sensors, at which experimental data are collected, so as to minimize the uncertainty in the inferred parameter field. We formulate the OED objective function by generalizing the classical A-optimal experimental design criterion using the expected value of the trace of the posterior covariance. We seek a method that solves the OED problem at a cost (measured in the number of forward PDE solves) that is independent of both the parameter and sensor dimensions. To facilitate this, we construct a Gaussian approximation to the posterior at the maximum a posteriori probability (MAP) point, and use the resulting covariance operator to define the OED objective function. We use randomized trace estimation to compute the trace of this (implicitly defined) covariance operator. The resulting OED problem includes as constraints the PDEs characterizing the MAP point, and the PDEs describing the action of the covariance operator to vectors. The sparsity of the sensor configurations is controlled using sparsifying penalty functions. We elaborate our OED method for the problem of determining the sensor placement to best infer the coefficient of an elliptic PDE. Adjoint methods are used to compute the gradient of the PDE-constrained OED objective function. We provide numerical results for inference of the permeability field in a porous medium flow problem, and demonstrate that the number of PDE solves required for the evaluation of the OED objective function and its gradient is essentially independent of both the parameter and sensor dimensions. The number of quasi-Newton iterations for computing an OED also exhibits the same dimension invariance properties.

math.OC↗

arXiv2015

Scalable and efficient algorithms for the propagation of uncertainty from data through inference to prediction for large-scale problems, with application to flow of the Antarctic ice sheet

The majority of research on efficient and scalable algorithms in computational science and engineering has focused on the forward problem: given parameter inputs, solve the governing equations to determine output quantities of interest. In contrast, here we consider the broader question: given a (large-scale) model containing uncertain parameters, (possibly) noisy observational data, and a prediction quantity of interest, how do we construct efficient and scalable algorithms to (1) infer the model parameters from the data (the deterministic inverse problem), (2) quantify the uncertainty in the inferred parameters (the Bayesian inference problem), and (3) propagate the resulting uncertain parameters through the model to issue predictions with quantified uncertainties (the forward uncertainty propagation problem)? We present efficient and scalable algorithms for this end-to-end, data-to-prediction process under the Gaussian approximation and in the context of modeling the flow of the Antarctic ice sheet and its effect on sea level. The ice is modeled as a viscous, incompressible, creeping, shear-thinning fluid. The observational data come from InSAR satellite measurements of surface ice flow velocity, and the uncertain parameter field to be inferred is the basal sliding parameter. The prediction quantity of interest is the present-day ice mass flux from the Antarctic continent to the ocean. We show that the work required for executing this data-to-prediction process is independent of the state dimension, parameter dimension, data dimension, and number of processor cores. The key to achieving this dimension independence is to exploit the fact that the observational data typically provide only sparse information on model parameters. This property can be exploited to construct a low rank approximation of the linearized parameter-to-observable map.

math.OC↗

arXiv2015

Solution of nonlinear Stokes equations discretized by high-order finite elements on nonconforming and anisotropic meshes, with application to ice sheet dynamics

Motivated by the need for efficient and accurate simulation of the dynamics of the polar ice sheets, we design high-order finite element discretizations and scalable solvers for the solution of nonlinear incompressible Stokes equations. We focus on power-law, shear thinning rheologies used in modeling ice dynamics and other geophysical flows. We use nonconforming hexahedral meshes and the conforming inf-sup stable finite element velocity-pressure pairings $\mathbb{Q}_k\times \mathbb{Q}^\text{disc}_{k-2}$ or $\mathbb{Q}_k \times \mathbb{P}^\text{disc}_{k-1}$. To solve the nonlinear equations, we propose a Newton-Krylov method with a block upper triangular preconditioner for the linearized Stokes systems. The diagonal blocks of this preconditioner are sparse approximations of the (1,1)-block and of its Schur complement. The (1,1)-block is approximated using linear finite elements based on the nodes of the high-order discretization, and the application of its inverse is approximated using algebraic multigrid with an incomplete factorization smoother. This preconditioner is designed to be efficient on anisotropic meshes, which are necessary to match the high aspect ratio domains typical for ice sheets. We develop and make available extensions to two libraries---a hybrid meshing scheme for the p4est parallel AMR library, and a modified smoothed aggregation scheme for PETSc---to improve their support for solving PDEs in high aspect ratio domains. In a numerical study, we find that our solver yields fast convergence that is independent of the element aspect ratio, the occurrence of nonconforming interfaces, and of mesh refinement, and that depends only weakly on the polynomial finite element order. We simulate the ice flow in a realistic description of the Antarctic ice sheet derived from field data, and study the parallel scalability of our solver for problems with up to 383M unknowns.

math.NA↗

arXiv2015

Comparison of Multigrid Algorithms for High-order Continuous Finite Element Discretizations

We present a comparison of different multigrid approaches for the solution of systems arising from high-order continuous finite element discretizations of elliptic partial differential equations on complex geometries. We consider the pointwise Jacobi, the Chebyshev-accelerated Jacobi and the symmetric successive over-relaxation (SSOR) smoothers, as well as elementwise block Jacobi smoothing. Three approaches for the multigrid hierarchy are compared: 1) high-order $h$-multigrid, which uses high-order interpolation and restriction between geometrically coarsened meshes; 2) $p$-multigrid, in which the polynomial order is reduced while the mesh remains unchanged, and the interpolation and restriction incorporate the different-order basis functions; and 3), a first-order approximation multigrid preconditioner constructed using the nodes of the high-order discretization. This latter approach is often combined with algebraic multigrid for the low-order operator and is attractive for high-order discretizations on unstructured meshes, where geometric coarsening is difficult. Based on a simple performance model, we compare the computational cost of the different approaches. Using scalar test problems in two and three dimensions with constant and varying coefficients, we compare the performance of the different multigrid approaches for polynomial orders up to 16. Overall, both $h$- and $p$-multigrid work well; the first-order approximation is less efficient. For constant coefficients, all smoothers work well. For variable coefficients, Chebyshev and SSOR smoothing outperforms Jacobi smoothing. While all of the tested methods converge in a mesh-independent number of iterations, none of them behaves completely independent of the polynomial order. When multigrid is used as a preconditioner in a Krylov method, the iteration number decreases significantly compared to using multigrid as a solver.

math.NA↗

arXiv2014

A-optimal design of experiments for infinite-dimensional Bayesian linear inverse problems with regularized $\ell_0$-sparsification

We present an efficient method for computing A-optimal experimental designs for infinite-dimensional Bayesian linear inverse problems governed by partial differential equations (PDEs). Specifically, we address the problem of optimizing the location of sensors (at which observational data are collected) to minimize the uncertainty in the parameters estimated by solving the inverse problem, where the uncertainty is expressed by the trace of the posterior covariance. Computing optimal experimental designs (OEDs) is particularly challenging for inverse problems governed by computationally expensive PDE models with infinite-dimensional (or, after discretization, high-dimensional) parameters. To alleviate the computational cost, we exploit the problem structure and build a low-rank approximation of the parameter-to-observable map, preconditioned with the square root of the prior covariance operator. This relieves our method from expensive PDE solves when evaluating the optimal experimental design objective function and its derivatives. Moreover, we employ a randomized trace estimator for efficient evaluation of the OED objective function. We control the sparsity of the sensor configuration by employing a sequence of penalty functions that successively approximate the $\ell_0$-"norm"; this results in binary designs that characterize optimal sensor locations. We present numerical results for inference of the initial condition from spatio-temporal observations in a time-dependent advection-diffusion problem in two and three space dimensions. We find that an optimal design can be computed at a cost, measured in number of forward PDE solves, that is independent of the parameter and sensor dimensions. We demonstrate numerically that $\ell_0$-sparsified experimental designs obtained via a continuation method outperform $\ell_1$-sparsified designs.

stat.CO↗

arXiv2014

A computational framework for infinite-dimensional Bayesian inverse problems: Part II. Stochastic Newton MCMC with application to ice sheet flow inverse problems

We address the numerical solution of infinite-dimensional inverse problems in the framework of Bayesian inference. In the Part I companion to this paper (arXiv.org:1308.1313), we considered the linearized infinite-dimensional inverse problem. Here in Part II, we relax the linearization assumption and consider the fully nonlinear infinite-dimensional inverse problem using a Markov chain Monte Carlo (MCMC) sampling method. To address the challenges of sampling high-dimensional pdfs arising from Bayesian inverse problems governed by PDEs, we build on the stochastic Newton MCMC method. This method exploits problem structure by taking as a proposal density a local Gaussian approximation of the posterior pdf, whose construction is made tractable by invoking a low-rank approximation of its data misfit component of the Hessian. Here we introduce an approximation of the stochastic Newton proposal in which we compute the low-rank-based Hessian at just the MAP point, and then reuse this Hessian at each MCMC step. We compare the performance of the proposed method to the original stochastic Newton MCMC method and to an independence sampler. The comparison of the three methods is conducted on a synthetic ice sheet inverse problem. For this problem, the stochastic Newton MCMC method with a MAP-based Hessian converges at least as rapidly as the original stochastic Newton MCMC method, but is far cheaper since it avoids recomputing the Hessian at each step. On the other hand, it is more expensive per sample than the independence sampler; however, its convergence is significantly more rapid, and thus overall it is much cheaper. Finally, we present extensive analysis and interpretation of the posterior distribution, and classify directions in parameter space based on the extent to which they are informed by the prior or the observations.

stat.ME↗

arXiv2013

Discretely exact derivatives for hyperbolic PDE-constrained optimization problems discretized by the discontinuous Galerkin method

This paper discusses the computation of derivatives for optimization problems governed by linear hyperbolic systems of partial differential equations (PDEs) that are discretized by the discontinuous Galerkin (dG) method. An efficient and accurate computation of these derivatives is important, for instance, in inverse problems and optimal control problems. This computation is usually based on an adjoint PDE system, and the question addressed in this paper is how the discretization of this adjoint system should relate to the dG discretization of the hyperbolic state equation. Adjoint-based derivatives can either be computed before or after discretization; these two options are often referred to as the optimize-then-discretize and discretize-then-optimize approaches. We discuss the relation between these two options for dG discretizations in space and Runge-Kutta time integration. Discretely exact discretizations for several hyperbolic optimization problems are derived, including the advection equation, Maxwell's equations and the coupled elastic-acoustic wave equation. We find that the discrete adjoint equation inherits a natural dG discretization from the discretization of the state equation and that the expressions for the discretely exact gradient often have to take into account contributions from element faces. For the coupled elastic-acoustic wave equation, the correctness and accuracy of our derivative expressions are illustrated by comparisons with finite difference gradients. The results show that a straightforward discretization of the continuous gradient differs from the discretely exact gradient, and thus is not consistent with the discretized objective. This inconsistency may cause difficulties in the convergence of gradient based algorithms for solving optimization problems.

math.NA↗

arXiv2013

A computational framework for infinite-dimensional Bayesian inverse problems. Part I: The linearized case, with application to global seismic inversion

We present a computational framework for estimating the uncertainty in the numerical solution of linearized infinite-dimensional statistical inverse problems. We adopt the Bayesian inference formulation: given observational data and their uncertainty, the governing forward problem and its uncertainty, and a prior probability distribution describing uncertainty in the parameter field, find the posterior probability distribution over the parameter field. The prior must be chosen appropriately in order to guarantee well-posedness of the infinite-dimensional inverse problem and facilitate computation of the posterior. Furthermore, straightforward discretizations may not lead to convergent approximations of the infinite-dimensional problem. And finally, solution of the discretized inverse problem via explicit construction of the covariance matrix is prohibitive due to the need to solve the forward problem as many times as there are parameters. Our computational framework builds on the infinite-dimensional formulation proposed by Stuart (A. M. Stuart, Inverse problems: A Bayesian perspective, Acta Numerica, 19 (2010), pp. 451-559), and incorporates a number of components aimed at ensuring a convergent discretization of the underlying infinite-dimensional inverse problem. The framework additionally incorporates algorithms for manipulating the prior, constructing a low rank approximation of the data-informed component of the posterior covariance operator, and exploring the posterior that together ensure scalability of the entire framework to very high parameter dimensions. We demonstrate this computational framework on the Bayesian solution of an inverse problem in 3D global seismic wave propagation with hundreds of thousands of parameters.

math.NA↗

arXiv2004

Quantum control of electron--phonon scatterings in artificial atoms

The phonon-induced dephasing dynamics in optically excited semiconductor quantum dots is studied within the frameworks of the independent Boson model and optimal control. We show that appropriate tailoring of laser pulses allows a complete control of the optical excitation despite the phonon dephasing, a finding in marked contrast to other environment couplings.

cond-mat.mes-hall↗

arXiv2002

Optimal quantum control in nanostructures: Theory and application to generic three-level system

Coherent carrier control in quantum nanostructures is studied within the framework of Optimal Control. We develop a general solution scheme for the optimization of an external control (e.g., lasers pulses), which allows to channel the system's wavefunction between two given states in its most efficient way; physically motivated constraints, such as limited laser resources or population suppression of certain states, can be accounted for through a general cost functional. Using a generic three-level scheme for the quantum system, we demonstrate the applicability of our approach and identify the pertinent calculation and convergence parameters.

cond-mat.mes-hall↗