arXiv subjects

Simon Weissmann

Publications and source records attributed to Simon Weissmann.

31 records · Page 2Linked to original sources

arXiv2023

One-shot Learning of Surrogates in PDE-constrained Optimization Under Uncertainty

We propose a general framework for machine learning based optimization under uncertainty. Our approach replaces the complex forward model by a surrogate, which is learned simultaneously in a one-shot sense when solving the optimal control problem. Our approach relies on a reformulation of the problem as a penalized empirical risk minimization problem for which we provide a consistency analysis in terms of large data and increasing penalty parameter. To solve the resulting problem, we suggest a stochastic gradient method with adaptive control of the penalty parameter and prove convergence under suitable assumptions on the surrogate model. Numerical experiments illustrate the results for linear and nonlinear surrogate models.

math.OC↗

arXiv2023

On the ensemble Kalman inversion under inequality constraints

The ensemble Kalman inversion (EKI), a recently introduced optimisation method for solving inverse problems, is widely employed for the efficient and derivative-free estimation of unknown parameters. Specifically in cases involving ill-posed inverse problems and high-dimensional parameter spaces, the scheme has shown promising success. However, in its general form, the EKI does not take constraints into account, which are essential and often stem from physical limitations or specific requirements. Based on a log-barrier approach, we suggest adapting the continuous-time formulation of EKI to incorporate convex inequality constraints. We underpin this adaptation with a theoretical analysis that provides lower and upper bounds on the ensemble collapse, as well as convergence to the constraint optimum for general nonlinear forward models. Finally, we showcase our results through two examples involving partial differential equations (PDEs).

math.NA↗

arXiv2023

Metropolis-adjusted interacting particle sampling

In recent years, various interacting particle samplers have been developed to sample from complex target distributions, such as those found in Bayesian inverse problems. These samplers are motivated by the mean-field limit perspective and implemented as ensembles of particles that move in the product state space according to coupled stochastic differential equations. The ensemble approximation and numerical time stepping used to simulate these systems can introduce bias and affect the invariance of the particle system with respect to the target distribution. To correct for this, we investigate the use of a Metropolization step, similar to the Metropolis-adjusted Langevin algorithm. We examine Metropolization of either the whole ensemble or smaller subsets of the ensemble, and prove basic convergence of the resulting ensemble Markov chain to the target distribution. Our numerical results demonstrate the benefits of this correction in numerical examples for popular interacting particle samplers such as ALDI, CBS, and stochastic SVGD.

stat.CO↗

arXiv2023

Adaptive multilevel subset simulation with selective refinement

In this work we propose an adaptive multilevel version of subset simulation to estimate the probability of rare events for complex physical systems. Given a sequence of nested failure domains of increasing size, the rare event probability is expressed as a product of conditional probabilities. The proposed new estimator uses different model resolutions and varying numbers of samples across the hierarchy of nested failure sets. In order to dramatically reduce the computational cost, we construct the intermediate failure sets such that only a small number of expensive high-resolution model evaluations are needed, whilst the majority of samples can be taken from inexpensive low-resolution simulations. A key idea in our new estimator is the use of a posteriori error estimators combined with a selective mesh refinement strategy to guarantee the critical subset property that may be violated when changing model resolution from one failure set to the next. The efficiency gains and the statistical properties of the estimator are investigated both theoretically via shaking transformations, as well as numerically. On a model problem from subsurface flow, the new multilevel estimator achieves gains of more than a factor 60 over standard subset simulation for a practically relevant relative error of 25%.

math.NA↗

arXiv2022

Gradient flow structure and convergence analysis of the ensemble Kalman inversion for nonlinear forward models

The ensemble Kalman inversion (EKI) is a particle based method which has been introduced as the application of the ensemble Kalman filter to inverse problems. In practice it has been widely used as derivative-free optimization method in order to estimate unknown parameters from noisy measurement data. For linear forward models the EKI can be viewed as gradient flow preconditioned by a certain sample covariance matrix. Through the preconditioning the resulting scheme remains in a finite dimensional subspace of the original high-dimensional (or even infinite dimensional) parameter space and can be viewed as optimizer restricted to this subspace. For general nonlinear forward models the resulting EKI flow can only be viewed as gradient flow in approximation. In this paper we discuss the effect of applying a sample covariance as preconditioning matrix and quantify the gradient flow structure of the EKI by controlling the approximation error through the spread in the particle system. The ensemble collapse on the one side leads to an accurate gradient approximation, but on the other side to degeneration in the preconditioning sample covariance matrix. In order to ensure convergence as optimization method we derive lower as well as upper bounds on the ensemble collapse. Furthermore, we introduce covariance inflation without breaking the subspace property intending to reduce the collapse rate of the ensemble such that the convergence rate improves. In a numerical experiment we apply EKI to a nonlinear elliptic boundary-value problem and illustrate the dependence of EKI as derivative-free optimizer on the choice of the initial ensemble.

math.NA↗

arXiv2022

Multilevel Optimization for Inverse Problems

Inverse problems occur in a variety of parameter identification tasks in engineering. Such problems are challenging in practice, as they require repeated evaluation of computationally expensive forward models. We introduce a unifying framework of multilevel optimization that can be applied to a wide range of optimization-based solvers. Our framework provably reduces the computational cost associated with evaluating the expensive forward maps stemming from various physical models. To demonstrate the versatility of our analysis, we discuss its implications for various methodologies including multilevel (accelerated, stochastic) gradient descent, a multilevel ensemble Kalman inversion and a multilevel Langevin sampler. We also provide numerical experiments to verify our theoretical findings.

math.OC↗

arXiv2021

Adaptive Tikhonov strategies for stochastic ensemble Kalman inversion

Ensemble Kalman inversion (EKI) is a derivative-free optimizer aimed at solving inverse problems, taking motivation from the celebrated ensemble Kalman filter. The purpose of this article is to consider the introduction of adaptive Tikhonov strategies for EKI. This work builds upon Tikhonov EKI (TEKI) which was proposed for a fixed regularization constant. By adaptively learning the regularization parameter, this procedure is known to improve the recovery of the underlying unknown. For the analysis, we consider a continuous-time setting where we extend known results such as well-posdeness and convergence of various loss functions, but with the addition of noisy observations. Furthermore, we allow a time-varying noise and regularization covariance in our presented convergence result which mimic adaptive regularization schemes. In turn we present three adaptive regularization schemes, which are highlighted from both the deterministic and Bayesian approaches for inverse problems, which include bilevel optimization, the MAP formulation and covariance learning. We numerically test these schemes and the theory on linear and nonlinear partial differential equations, where they outperform the non-adaptive TEKI and EKI.

math.NA↗

arXiv2021

Continuous time limit of the stochastic ensemble Kalman inversion: Strong convergence analysis

The Ensemble Kalman inversion (EKI) method is a method for the estimation of unknown parameters in the context of (Bayesian) inverse problems. The method approximates the underlying measure by an ensemble of particles and iteratively applies the ensemble Kalman update to evolve (the approximation of the) prior into the posterior measure. For the convergence analysis of the EKI it is common practice to derive a continuous version, replacing the iteration with a stochastic differential equation. In this paper we validate this approach by showing that the stochastic EKI iteration converges to paths of the continuous-time stochastic differential equation by considering both the nonlinear and linear setting, and we prove convergence in probability for the former, and convergence in moments for the latter. The methods employed can also be applied to the analysis of more general numerical schemes for stochastic differential equations in general.

math.NA↗

arXiv2021

Fokker-Planck particle systems for Bayesian inference: Computational approaches

Bayesian inference can be embedded into an appropriately defined dynamics in the space of probability measures. In this paper, we take Brownian motion and its associated Fokker--Planck equation as a starting point for such embeddings and explore several interacting particle approximations. More specifically, we consider both deterministic and stochastic interacting particle systems and combine them with the idea of preconditioning by the empirical covariance matrix. In addition to leading to affine invariant formulations which asymptotically speed up convergence, preconditioning allows for gradient-free implementations in the spirit of the ensemble Kalman filter. While such gradient-free implementations have been demonstrated to work well for posterior measures that are nearly Gaussian, we extend their scope of applicability to multimodal measures by introducing localised gradient-free approximations. Numerical results demonstrate the effectiveness of the considered methodologies.

math.NA↗

arXiv2021

Consistency analysis of bilevel data-driven learning in inverse problems

One fundamental problem when solving inverse problems is how to find regularization parameters. This article considers solving this problem using data-driven bilevel optimization, i.e. we consider the adaptive learning of the regularization parameter from data by means of optimization. This approach can be interpreted as solving an empirical risk minimization problem, and we analyze its performance in the large data sample size limit for general nonlinear problems. We demonstrate how to implement our framework on linear inverse problems, where we can further show the inverse accuracy does not depend on the ambient space dimension. To reduce the associated computational cost, online numerical schemes are derived using the stochastic gradient descent method. We prove convergence of these numerical schemes under suitable assumptions on the forward problem. Numerical experiments are presented illustrating the theoretical results and demonstrating the applicability and efficiency of the proposed approaches for various linear and nonlinear inverse problems, including Darcy flow, the eikonal equation, and an image denoising example.

math.ST↗

arXiv2020

Ensemble Kalman filter for neural network based one-shot inversion

We study the use of novel techniques arising in machine learning for inverse problems. Our approach replaces the complex forward model by a neural network, which is trained simultaneously in a one-shot sense when estimating the unknown parameters from data, i.e. the neural network is trained only for the unknown parameter. By establishing a link to the Bayesian approach to inverse problems, an algorithmic framework is developed which ensures the feasibility of the parameter estimate w.r. to the forward model. We propose an efficient, derivative-free optimization method based on variants of the ensemble Kalman inversion. Numerical experiments show that the ensemble Kalman filter for neural network based one-shot inversion is a promising direction combining optimization and machine learning techniques for inverse problems.

math.NA↗

arXiv2019

On the Incorporation of Box-Constraints for Ensemble Kalman Inversion

The Bayesian approach to inverse problems is widely used in practice to infer unknown parameters from noisy observations. In this framework, the ensemble Kalman inversion has been successfully applied for the quantification of uncertainties in various areas of applications. In recent years, a complete analysis of the method has been developed for linear inverse problems adopting an optimization viewpoint. However, many applications require the incorporation of additional constraints on the parameters, e.g. arising due to physical constraints. We propose a new variant of the ensemble Kalman inversion to include box constraints on the unknown parameters motivated by the theory of projected preconditioned gradient flows. Based on the continuous time limit of the constrained ensemble Kalman inversion, we discuss a complete convergence analysis for linear forward problems. We adopt techniques from filtering which are crucial in order to improve the performance and establish a correct descent, such as variance inflation. These benefits are highlighted through a number of numerical examples on various inverse problems based on partial differential equations.

math.NA↗

arXiv2019

Well Posedness and Convergence Analysis of the Ensemble Kalman Inversion

The ensemble Kalman inversion is widely used in practice to estimate unknown parameters from noisy measurement data. Its low computational costs, straightforward implementation, and non-intrusive nature makes the method appealing in various areas of application. We present a complete analysis of the ensemble Kalman inversion with perturbed observations for a fixed ensemble size when applied to linear inverse problems. The well-posedness and convergence results are based on the continuous time scaling limits of the method. The resulting coupled system of stochastic differential equations allows to derive estimates on the long-time behaviour and provides insights into the convergence properties of the ensemble Kalman inversion. We view the method as a derivative free optimization method for the least-squares misfit functional, which opens up the perspective to use the method in various areas of applications such as imaging, groundwater flow problems, biological problems as well as in the context of the training of neural networks.

math.NA↗