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Pascal Heid

Publications and source records attributed to Pascal Heid.

17 recordsLinked to original sources

Iterative energy reduction Galerkin methods and variational adaptivity

Critical points of energy functionals, which are of broad interest, for instance, in physics and chemistry, in solid and quantum mechanics, in material science, or in general diffusion-reaction models arise as solutions to the associated Euler-Lagrange equations. While classical computational solution methods for such models typically focus solely on the underlying partial differential equations, we propose an approach that also incorporates the energy structure itself. Specifically, we examine (linearized) iterative Galerkin discretization schemes that ensure energy reduction at each step, and utilize the computable discrete residual to determine an appropriate stopping point. Additionally, we provide necessary conditions, which are applicable to a wide class of problems, that guarantee convergence to critical points of the PDE as the discrete spaces are enriched. Moreover, in the specific context of finite element discretizations, we present a very generally applicable adaptive mesh refinement strategy - the so-called variational adaptivity approach - which, rather than using classical a posteriori estimates, is based on exploiting local energy reductions. The theoretical results are validated for several computational experiments in the context of nonlinear diffusion-reaction models, thereby demonstrating the effectiveness of the proposed scheme.

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Gradient Flow Finite Element Discretisations with Energy-Based $hp$-Adaptivity for the Gross-Pitaevskii Equation with Angular Momentum

This article deals with the stationary Gross-Pitaevskii non-linear eigenvalue problem in the presence of a rotating magnetic field that is used to model macroscopic quantum effects such as Bose-Einstein condensates (BECs). In this regime, the ground-state wave-function can exhibit an a priori unknown number of quantum vortices at unknown locations, which necessitates the exploitation of adaptive numerical strategies. To this end, we consider the conforming finite element method in combination with a discrete Sobolev gradient descent, which is guided by the energy-topology of the problem, to address the nonlinearity. In addition, a key novelty of this work is an $hp$-adaptive strategy that is solely based on energy decay rather than a posteriori error estimators for the refinement process. Numerical results demonstrate that the $hp$-adaptive strategy is highly efficient in terms of accuracy to compute the ground-state wave function and energy for several test problems where we observe exponential convergence.

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Approximation Theory, Computing, and Deep Learning on the Wasserstein Space

The challenge of approximating functions in infinite-dimensional spaces from finite samples is widely regarded as formidable. We delve into the challenging problem of the numerical approximation of Sobolev-smooth functions defined on probability spaces. Our particular focus centers on the Wasserstein distance function, which serves as a relevant example. In contrast to the existing body of literature focused on approximating efficiently pointwise evaluations, we chart a new course to define functional approximants by adopting three machine learning-based approaches: 1. Solving a finite number of optimal transport problems and computing the corresponding Wasserstein potentials. 2. Employing empirical risk minimization with Tikhonov regularization in Wasserstein Sobolev spaces. 3. Addressing the problem through the saddle point formulation that characterizes the weak form of the Tikhonov functional's Euler-Lagrange equation. We furnish explicit and quantitative bounds on generalization errors for each of these solutions. We leverage the theory of metric Sobolev spaces and we combine it with techniques of optimal transport, variational calculus, and large deviation bounds. In our numerical implementation, we harness appropriately designed neural networks to serve as basis functions. These networks undergo training using diverse methodologies. This approach allows us to obtain approximating functions that can be rapidly evaluated after training. Our constructive solutions significantly enhance at equal accuracy the evaluation speed, surpassing that of state-of-the-art methods by several orders of magnitude. This allows evaluations over large datasets several times faster, including training, than traditional optimal transport algorithms. Our analytically designed deep learning architecture slightly outperforms the test error of state-of-the-art CNN architectures on datasets of images.

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A damped Ka\v{c}anov scheme for the numerical solution of a relaxed p(x)-Poisson equation

The focus of the present work is the (theoretical) approximation of a solution of the p(x)-Poisson equation. To devise an iterative solver with guaranteed convergence, we will consider a relaxation of the original problem in terms of a truncation of the nonlinearity from below and from above by using a pair of positive cut-off parameters. We will then verify that, for any such pair, a damped Ka\v{c}anov scheme generates a sequence converging to a solution of the relaxed equation. Subsequently, it will be shown that the solutions of the relaxed problems converge to the solution of the original problem in the discrete setting. Finally, the discrete solutions of the unrelaxed problem converge to the continuous solution. Our work will finally be rounded up with some numerical experiments that underline the analytical findings.

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Adaptive FEM with quasi-optimal overall cost for nonsymmetric linear elliptic PDEs

We consider a general nonsymmetric second-order linear elliptic PDE in the framework of the Lax-Milgram lemma. We formulate and analyze an adaptive finite element algorithm with arbitrary polynomial degree that steers the adaptive mesh-refinement and the inexact iterative solution of the arising linear systems. More precisely, the iterative solver employs, as an outer loop, the so-called Zarantonello iteration to symmetrize the system and, as an inner loop, a uniformly contractive algebraic solver, e.g., an optimally preconditioned conjugate gradient method or an optimal geometric multigrid algorithm. We prove that the proposed inexact adaptive iteratively symmetrized finite element method (AISFEM) leads to full linear convergence and, for sufficiently small adaptivity parameters, to optimal convergence rates with respect to the overall computational cost, i.e., the total computational time. Numerical experiments underline the theory.

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An adaptive damped Newton method for strongly monotone and Lipschitz continuous operator equations

We will consider the damped Newton method for strongly monotone and Lipschitz continuous operator equations in a variational setting. We will provide a very accessible justification why the undamped Newton method performs better than its damped counterparts in a vicinity of a solution. Moreover, in the given setting, an adaptive step-size strategy will be presented, which guarantees the global convergence and favours an undamped update if admissible.

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A numerical energy minimisation approach for semilinear diffusion-reaction boundary value problems based on steady state iterations

We present a novel energy-based numerical analysis of semilinear diffusion-reaction boundary value problems. Based on a suitable variational setting, the proposed computational scheme can be seen as an energy minimisation approach. More specifically, this procedure aims to generate a sequence of numerical approximations, which results from the iterative solution of related (stabilised) linearised discrete problems, and tends to a local minimum of the underlying energy functional. Simultaneously, the finite-dimensional approximation spaces are adaptively refined; this is implemented in terms of a new mesh refinement strategy in the context of finite element discretisations, which again relies on the energy structure of the problem under consideration, and does not involve any a posteriori error indicators. In combination, the resulting adaptive algorithm consists of an iterative linearisation procedure on a sequence of hierarchically refined discrete spaces, which we prove to converge towards a solution of the continuous problem in an appropriate sense. Numerical experiments demonstrate the robustness and reliability of our approach for a series of examples.

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A link between the steepest descent method and fixed-point iterations

We will make a link between the steepest descent method for an unconstrained minimisation problem and fixed-point iterations for its Euler-Lagrange equation. In this context, we shall rediscover the preconditioned nonlinear conjugate gradient method for the discretised problem. The benefit of the link between the two methods will be illustrated by a numerical experiment.

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Adaptive iterative linearised finite element methods for implicitly constituted incompressible fluid flow problems and its application to Bingham fluids

In this work, we introduce an iterative linearised finite element method for the solution of Bingham fluid flow problems. The proposed algorithm has the favourable property that a subsequence of the sequence of iterates generated converges weakly to a solution of the problem. This will be illustrated by two numerical experiments.

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A modified Ka\v{c}anov iteration scheme with application to quasilinear diffusion models

The classical Ka\v{c}anov scheme for the solution of nonlinear variational problems can be interpreted as a fixed point iteration method that updates a given approximation by solving a linear problem in each step. Based on this observation, we introduce a modified Ka\v{c}anov method, which allows for (adaptive) damping, and, thereby, to derive a new convergence analysis under more general assumptions and for a wider range of applications. For instance, in the specific context of quasilinear diffusion models, our new approach does no longer require a standard monotonicity condition on the nonlinear diffusion coefficient to hold. Moreover, we propose two different adaptive strategies for the practical selection of the damping parameters involved.

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On the convergence rate of the Ka\v{c}anov scheme for shear-thinning fluids

We explore the convergence rate of the Ka\v{c}anov iteration scheme for different models of shear-thinning fluids, including Carreau and power-law type explicit quasi-Newtonian constitutive laws. It is shown that the energy difference contracts along the sequence generated by the iteration. In addition, an a posteriori computable contraction factor is proposed, which improves, on finite-dimensional Galerkin spaces, previously derived bounds on the contraction factor in the context of the power-law model. Significantly, this factor is shown to be independent of the choice of the cut-off parameters whose use was proposed in the literature for the Ka\v{c}anov iteration applied to the power-law model. Our analytical findings are confirmed by a series of numerical experiments.

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Gradient flow finite element discretisations with energy-based adaptivity for excited states of Schr\"odingers equation

We present an effective numerical procedure, which is based on the computational scheme from [Heid et al., arXiv:1906.06954], for the numerical approximation of excited states of Schr\"odingers equation. In particular, this procedure employs an adaptive interplay of gradient flow iterations and local mesh refinements, leading to a guaranteed energy decay in each step of the algorithm. The computational tests highlight that this strategy is able to provide highly accurate results, with optimal convergence rate with respect to the number of degrees of freedom.

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Energy contraction and optimal convergence of adaptive iterative linearized finite element methods

We revisit a unified methodology for the iterative solution of nonlinear equations in Hilbert spaces. Our key observation is that the general approach from [Heid & Wihler, Math. Comp. 89 (2020), Calcolo 57 (2020)] satisfies an energy contraction property in the context of (abstract) strongly monotone problems. This property, in turn, is the crucial ingredient in the recent convergence analysis in [Gantner et al., arXiv:2003.10785]. In particular, we deduce that adaptive iterative linearized finite element methods (AILFEMs) lead to full linear convergence with optimal algebraic rates with respect to the degrees of freedom as well as the total computational time.

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Adaptive local minimax Galerkin methods for variational problems

In many applications of practical interest, solutions of partial differential equation models arise as critical points of an underlying (energy) functional. If such solutions are saddle points, rather than being maxima or minima, then the theoretical framework is non-standard, and the development of suitable numerical approximation procedures turns out to be highly challenging. In this paper, our aim is to present an iterative discretization methodology for the numerical solution of nonlinear variational problems with multiple (saddle point) solutions. In contrast to traditional numerical approximation schemes, which typically fail in such situations, the key idea of the current work is to employ a simultaneous interplay of a previously developed local minimax approach and adaptive Galerkin discretizations. We thereby derive an adaptive local minimax Galerkin (LMMG) method, which combines the search for saddle point solutions and their approximation in finite-dimensional spaces in a highly effective way. Under certain assumptions, we will prove that the generated sequence of approximate solutions converges to the solution set of the variational problem. This general framework will be applied to the specific context of finite element discretizations of (singularly perturbed) semilinear elliptic boundary value problems, and a series of numerical experiments will be presented.

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Gradient Flow Finite Element Discretizations with Energy-Based Adaptivity for the Gross-Pitaevskii Equation

We present an effective adaptive procedure for the numerical approximation of the steady-state Gross-Pitaevskii equation. Our approach is solely based on energy minimization, and consists of a combination of gradient flow iterations and adaptive finite element mesh refinements. Numerical tests show that this strategy is able to provide highly accurate results, with optimal convergence rates with respect to the number of freedom.

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On the Convergence of Adaptive Iterative Linearized Galerkin Methods

A wide variety of different (fixed-point) iterative methods for the solution of nonlinear equations exists. In this work we will revisit a unified iteration scheme in Hilbert spaces from our previous work that covers some prominent procedures (including the Zarantonello, Ka\v{c}anov and Newton iteration methods). In combination with appropriate discretization methods so-called (adaptive) iterative linearized Galerkin (ILG) schemes are obtained. The main purpose of this paper is the derivation of an abstract convergence theory for the unified ILG approach (based on general adaptive Galerkin discretization methods) proposed in our previous work. The theoretical results will be tested and compared for the aforementioned three iterative linearization schemes in the context of adaptive finite element discretizations of strongly monotone stationary conservation laws.

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Adaptive Iterative Linearization Galerkin Methods for Nonlinear Problems

A wide variety of (fixed-point) iterative methods for the solution of nonlinear equations (in Hilbert spaces) exists. In many cases, such schemes can be interpreted as iterative local linearization methods, which, as will be shown, can be obtained by applying a suitable preconditioning operator to the original (nonlinear) equation. Based on this observation, we will derive a unified abstract framework which recovers some prominent iterative schemes. In particular, for Lipschitz continuous and strongly monotone operators, we derive a general convergence analysis. Furthermore, in the context of numerical solution schemes for nonlinear partial differential equations, we propose a combination of the iterative linearization approach and the classical Galerkin discretization method, thereby giving rise to the so-called iterative linearization Galerkin (ILG) methodology. Moreover, still on an abstract level, based on two different elliptic reconstruction techniques, we derive a posteriori error estimates which separately take into account the discretization and linearization errors. Furthermore, we propose an adaptive algorithm, which provides an efficient interplay between these two effects. In addition, the ILG approach will be applied to the specific context of finite element discretizations of quasilinear elliptic equations, and some numerical experiments will be performed.

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