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Erik von Schwerin

Publications and source records attributed to Erik von Schwerin.

14 recordsLinked to original sources

Goal-Oriented Adaptive Finite Element Multilevel Quasi-Monte Carlo

The efficient approximation of quantities of interest derived from PDEs with lognormal diffusivity is a central challenge in uncertainty quantification. This paper targets a problem class that combines four analytical difficulties: a geometric boundary singularity, a lognormal coefficient field without a deterministic positive lower bound, sample-dependent mesh selection that introduces parameter-space discontinuities, and infinitely many discontinuity locations that preclude classical pre-integration smoothing. In this study, we propose a multilevel quasi-Monte Carlo framework to approximate deterministic, real-valued, bounded linear functionals that depend on the solution of a linear elliptic PDE with a lognormal diffusivity coefficient parameterized by a multi-dimensional Gaussian random vector and deterministic geometric singularities in bounded domains of $\mathbb{R}^d$. We analyze the parametric regularity and develop the multilevel implementation based on a sequence of adaptive meshes, developed in our earlier work "Goal-oriented adaptive finite element multilevel Monte Carlo with convergence rates", CMAME, 402 (2022), p. 115582. For further variance reduction, we incorporate importance sampling and introduce a level-0 control variate within the multilevel hierarchy. Introducing such a control variate can alter the optimal choice for the initial mesh, further highlighting the advantages of adaptive meshes. On a 2-D slit benchmark discretized with bilinear, quadrilateral Q1-FEM, numerical experiments show that, in the parameter range explored, the proposed adaptive MLQMC algorithm achieves a prescribed accuracy at markedly lower computational cost than a standard multilevel Monte Carlo estimator on the same mesh hierarchy.

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Pontryagin-Based Solver with Smoothed Hamiltonian, Adaptive $Δt$, and PA-Bundle Refinement

We present a Pontryagin-based numerical solver for deterministic optimal control problems in Bolza form. The solver regularizes the generally nonsmooth Hamiltonian using a log-sum-exp smoothing of a concave piecewise-affine bundle surrogate, yielding a smoothed Hamiltonian $H_δ$ that is $C^\infty$ and concave in the costate and $C^{1,1}$ in the state. The resulting two-point boundary value problem is discretized by a symplectic Euler scheme and solved by damped Newton iteration on the full-space nonlinear system in the discrete state and costate variables. A unified adaptive outer loop jointly controls the time-step distribution $Δt$, the number of planes in the bundle surrogate, and the smoothing parameter $δ$. The time-adaptation strategy follows the error-density framework of Karlsson, Larsson, Sandberg, and Tempone (2015). Related approaches include Pontryagin shooting, Hamilton--Jacobi--Bellman methods, occupation-measure relaxations, max-plus approximations, and direct collocation. Numerical examples, including nonsmooth, singular, hypersensitive, and quadratic-programming-oracle benchmarks, demonstrate the roles of time refinement, bundle enrichment, and smoothing continuation. A linear--quadratic regulator with a closed-form Riccati solution is used as a calibration check.

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Convergence for adaptive resampling of random Fourier features

The machine learning random Fourier feature method for data in high dimension is computationally and theoretically attractive since the optimization is based on a convex standard least squares problem and independent sampling of Fourier frequencies. The challenge is to sample the Fourier frequencies well. This work proves convergence of a data adaptive method based on resampling the frequencies asymptotically optimally, as the number of nodes and amount of data tend to infinity. Numerical results based on resampling and adaptive random walk steps together with approximations of the least squares problem by conjugate gradient iterations confirm the analysis for regression and classification problems.

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A Pontryagin Maximum Principle on the Belief Space for Continuous-Time Optimal Control with Discrete Observations

We study a continuous time stochastic optimal control problem under partial observations that are available only at discrete time instants. This hybrid setting, with continuous dynamics and intermittent noisy measurements, arises in applications ranging from robotic exploration and target tracking to epidemic control. We formulate the problem on the space of beliefs (information states), treating the controller's posterior distribution of the state as the state variable for decision making. On this belief space we derive a Pontryagin maximum principle that provides necessary conditions for optimality. The analysis carefully tracks both the continuous evolution of the state between observation times and the Bayesian jump updates of the belief at observation instants. A key insight is a relationship between the adjoint process in our maximum principle and the gradient of the value functional on the belief space, which links the optimality conditions to the dynamic programming approach on the space of probability measures. The resulting optimality system has a prediction and update structure that is closely related to the unnormalised Zakai equation and the normalised Kushner-Stratonovich equation in nonlinear filtering. Building on this analysis, we design a particle based numerical scheme to approximate the coupled forward (filter) and backward (adjoint) system. The scheme uses particle filtering to represent the evolving belief and regression techniques to approximate the adjoint, which yields a practical algorithm for computing near optimal controls under partial information. The effectiveness of the approach is illustrated on both linear and nonlinear examples and highlights in particular the benefits of actively controlling the observation process.

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Adaptive Random Fourier Features Training Stabilized By Resampling With Applications in Image Regression

This paper presents an enhanced adaptive random Fourier features (ARFF) training algorithm for shallow neural networks, building upon the work introduced in "Adaptive Random Fourier Features with Metropolis Sampling", Kammonen et al., \emph{Foundations of Data Science}, 2(3):309--332, 2020. This improved method uses a particle filter-type resampling technique to stabilize the training process and reduce the sensitivity to parameter choices. The Metropolis test can also be omitted when resampling is used, reducing the number of hyperparameters by one and reducing the computational cost per iteration compared to the ARFF method. We present comprehensive numerical experiments demonstrating the efficacy of the proposed algorithm in function regression tasks as a stand-alone method and as a pretraining step before gradient-based optimization, using the Adam optimizer. Furthermore, we apply the proposed algorithm to a simple image regression problem, illustrating its utility in sampling frequencies for the random Fourier features (RFF) layer of coordinate-based multilayer perceptrons. In this context, we use the proposed algorithm to sample the parameters of the RFF layer in an automated manner.

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Importance sampling for rare event tracking within the ensemble Kalman filtering framework

In this work we employ importance sampling (IS) techniques to track a small over-threshold probability of a running maximum associated with the solution of a stochastic differential equation (SDE) within the framework of ensemble Kalman filtering (EnKF). Between two observation times of the EnKF, we propose to use IS with respect to the initial condition of the SDE, IS with respect to the Wiener process via a stochastic optimal control formulation, and combined IS with respect to both initial condition and Wiener process. Both IS strategies require the approximation of the solution of Kolmogorov Backward equation (KBE) with boundary conditions. In multidimensional settings, we employ a Markovian projection dimension reduction technique to obtain an approximation of the solution of the KBE by just solving a one dimensional PDE. The proposed ideas are tested on three illustrative examples: Double Well SDE, Langevin dynamics and noisy Charney-deVore model, and showcase a significant variance reduction compared to the standard Monte Carlo method and another sampling-based IS technique, namely, multilevel cross entropy.

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Lagrangian Relaxation for Continuous-Time Optimal Control of Coupled Hydrothermal Power Systems Including Storage Capacity and a Cascade of Hydropower Systems with Time Delays

This work considers a short-term, continuous time setting characterized by a coupled power supply system controlled exclusively by a single provider and comprising a cascade of hydropower systems (dams), fossil fuel power stations, and a storage capacity modeled by a single large battery. Cascaded hydropower generators introduce time-delay effects in the state dynamics, which are modeled with differential equations, making it impossible to use classical dynamic programming. We address this issue by introducing a novel Lagrangian relaxation technique over continuous-time constraints, constructing a nearly optimal policy efficiently. This approach yields a convex, nonsmooth optimization dual problem to recover the optimal Lagrangian multipliers, which is numerically solved using a limited memory bundle method. At each step of the dual optimization, we need to solve an optimization subproblem. Given the current values of the Lagrangian multipliers, the time delays are no longer active, and we can solve a corresponding nonlinear Hamilton--Jacobi--Bellman (HJB) Partial Differential Equation (PDE) for the optimization subproblem. The HJB PDE solver provides both the current value of the dual function and its subgradient, and is trivially parallelizable over the state space for each time step. To handle the infinite-dimensional nature of the Lagrange multipliers, we design an adaptive refinement strategy to control the duality gap. Furthermore, we use a penalization technique for the constructed admissible primal solution to smooth the controls while achieving a sufficiently small duality gap. Numerical results based on the Uruguayan power system demonstrate the efficiency of the proposed mathematical models and numerical approach.

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Goal-Oriented Adaptive Finite Element Multilevel Monte Carlo with Convergence Rates

We present an adaptive multilevel Monte Carlo (AMLMC) algorithm for approximating deterministic, real-valued, bounded linear functionals that depend on the solution of a linear elliptic PDE with a lognormal diffusivity coefficient and geometric singularities in bounded domains of $\mathbb{R}^d$. Our AMLMC algorithm is built on the results of the weak convergence rates in the work [Moon et al., BIT Numer. Math., 46 (2006), 367-407] for an adaptive algorithm using isoparametric d-linear quadrilateral finite element approximations and the dual weighted residual error representation in a deterministic setting. Designed to suit the geometric nature of the singularities in the solution, our AMLMC algorithm uses a sequence of deterministic, non-uniform auxiliary meshes as a building block. The deterministic adaptive algorithm generates these meshes, corresponding to a geometrically decreasing sequence of tolerances. For a given realization of the diffusivity coefficient and accuracy level, AMLMC constructs its approximate sample using the first mesh in the hierarchy that satisfies the corresponding bias accuracy constraint. This adaptive approach is particularly useful for the lognormal case treated here, which lacks uniform coercivity and thus produces functional outputs that vary over orders of magnitude when sampled. We discuss iterative solvers and compare their efficiency with direct ones. To reduce computational work, we propose a stopping criterion for the iterative solver with respect to the quantity of interest, the realization of the diffusivity coefficient, and the desired level of AMLMC approximation. From the numerical experiments, based on a Fourier expansion of the coefficient field, we observe improvements in efficiency compared with both standard Monte Carlo and standard MLMC for a problem with a singularity similar to that at the tip of a slit modeling a crack.

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A Wasserstein Coupled Particle Filter for Multilevel Estimation

In this paper, we consider the filtering problem for partially observed diffusions, which are regularly observed at discrete times. We are concerned with the case when one must resort to time-discretization of the diffusion process if the transition density is not available in an appropriate form. In such cases, one must resort to advanced numerical algorithms such as particle filters to consistently estimate the filter. It is also well known that the particle filter can be enhanced by considering hierarchies of discretizations and the multilevel Monte Carlo (MLMC) method, in the sense of reducing the computational effort to achieve a given mean square error (MSE). A variety of multilevel particle filters (MLPF) have been suggested in the literature, e.g., in Jasra et al., SIAM J, Numer. Anal., 55, 3068--3096. Here we introduce a new alternative that involves a resampling step based on the optimal Wasserstein coupling. We prove a central limit theorem (CLT) for the new method. On considering the asymptotic variance, we establish that in some scenarios, there is a reduction, relative to the approach in the aforementioned paper by Jasra et al., in computational effort to achieve a given MSE. These findings are confirmed in numerical examples. We also consider filtering diffusions with unstable dynamics; we empirically show that in such cases a change of measure technique seems to be required to maintain our findings.

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Multilevel Monte Carlo Acceleration of Seismic Wave Propagation under Uncertainty

We interpret uncertainty in a model for seismic wave propagation by treating the model parameters as random variables, and apply the Multilevel Monte Carlo (MLMC) method to reduce the cost of approximating expected values of selected, physically relevant, quantities of interest (QoI) with respect to the random variables. Targeting source inversion problems, where the source of an earthquake is inferred from ground motion recordings on the Earth's surface, we consider two QoI that measure the discrepancies between computed seismic signals and given reference signals: one QoI, $\hbox{QoI}_E$, is defined in terms of the $L^2$-misfit, which is directly related to maximum likelihood estimates of the source parameters; the other, $\hbox{QoI}_W$, is based on the quadratic Wasserstein distance between probability distributions, and represents one possible choice in a class of such misfit functions that have become increasingly popular to solve seismic inversion in recent years. We simulate seismic wave propagation, including seismic attenuation, using a publicly available code in widespread use, based on the spectral element method. Using random coefficients and deterministic initial and boundary data, we present benchmark numerical experiments with synthetic data in a two-dimensional physical domain and a one-dimensional velocity model where the assumed parameter uncertainty is motivated by realistic Earth models. Here, the computational cost of the standard Monte Carlo method was reduced by up to 97% for $\hbox{QoI}_E$, and up to 78% for $\hbox{QoI}_W$, using a relevant range of tolerances. Shifting to three-dimensional domains is straight-forward and will further increase the relative computational work reduction.

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Multi-level Monte Carlo acceleration of computations on multi-layer materials with random defects

We propose a Multi-level Monte Carlo technique to accelerate Monte Carlo sampling for approximation of properties of materials with random defects. The computational efficiency is investigated on test problems given by tight-binding models of a single layer of graphene or of $MoS_2$ where the integrated electron density of states per unit area is taken as a representative quantity of interest. For the chosen test problems the multi-level Monte Carlo estimators significantly reduce the computational time of standard Monte Carlo estimators to obtain a given accuracy.

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Optimization of mesh hierarchies in Multilevel Monte Carlo samplers

We perform a general optimization of the parameters in the Multilevel Monte Carlo (MLMC) discretization hierarchy based on uniform discretization methods with general approximation orders and computational costs. We optimize hierarchies with geometric and non-geometric sequences of mesh sizes and show that geometric hierarchies, when optimized, are nearly optimal and have the same asymptotic computational complexity as non-geometric optimal hierarchies. We discuss how enforcing constraints on parameters of MLMC hierarchies affects the optimality of these hierarchies. These constraints include an upper and a lower bound on the mesh size or enforcing that the number of samples and the number of discretization elements are integers. We also discuss the optimal tolerance splitting between the bias and the statistical error contributions and its asymptotic behavior. To provide numerical grounds for our theoretical results, we apply these optimized hierarchies together with the Continuation MLMC Algorithm. The first example considers a three-dimensional elliptic partial differential equation with random inputs. Its space discretization is based on continuous piecewise trilinear finite elements and the corresponding linear system is solved by either a direct or an iterative solver. The second example considers a one-dimensional Itô stochastic differential equation discretized by a Milstein scheme.

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A Continuation Multilevel Monte Carlo algorithm

We propose a novel Continuation Multi Level Monte Carlo (CMLMC) algorithm for weak approximation of stochastic models. The CMLMC algorithm solves the given approximation problem for a sequence of decreasing tolerances, ending when the required error tolerance is satisfied. CMLMC assumes discretization hierarchies that are defined a priori for each level and are geometrically refined across levels. The actual choice of computational work across levels is based on parametric models for the average cost per sample and the corresponding weak and strong errors. These parameters are calibrated using Bayesian estimation, taking particular notice of the deepest levels of the discretization hierarchy, where only few realizations are available to produce the estimates. The resulting CMLMC estimator exhibits a non-trivial splitting between bias and statistical contributions. We also show the asymptotic normality of the statistical error in the MLMC estimator and justify in this way our error estimate that allows prescribing both required accuracy and confidence in the final result. Numerical results substantiate the above results and illustrate the corresponding computational savings in examples that are described in terms of differential equations either driven by random measures or with random coefficients.

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A Stochastic Phase-Field Model Computed From Coarse-Grained Molecular Dynamics

Results are presented from numerical experiments aiming at the computation of stochastic phase-field models for phase transformations by coarse-graining molecular dynamics. The studied phase transformations occur between a solid crystal and a liquid. Nucleation and growth, sometimes dendritic, of crystal grains in a sub-cooled liquid is determined by diffusion and convection of heat, on the macroscopic level, and by interface effects, where the width of the solid-liquid interface is on an atomic length-scale. Phase-field methods are widely used in the study of the continuum level time evolution of the phase transformations; they introduce an order parameter to distinguish between the phases. The dynamics of the order parameter is modelled by an Allen--Cahn equation and coupled to an energy equation, where the latent heat at the phase transition enters as a source term. Stochastic fluctuations are sometimes added in the coupled system of partial differential equations to introduce nucleation and to get qualitatively correct behaviour of dendritic side-branching. In this report the possibility of computing some of the Allen-Cahn model functions from a microscale model is investigated. The microscopic model description of the material by stochastic, Smoluchowski, dynamics is considered given. A local average of contributions to the potential energy in the micro model is used to determine the local phase, and a stochastic phase-field model is computed by coarse-graining the molecular dynamics. Molecular dynamics simulations on a two phase system at the melting point are used to compute a double-well reaction term in the Allen--Cahn equation and a diffusion matrix describing the noise in the coarse-grained phase-field.

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