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- ItemConvergence bounds for empirical nonlinear least-squares(Les Ulis : EDP Sciences, 2022) Eigel, Martin; Schneider, Reinhold; Trunschke, PhilippWe consider best approximation problems in a nonlinear subset ℳ of a Banach space of functions (𝒱,∥•∥). The norm is assumed to be a generalization of the L 2-norm for which only a weighted Monte Carlo estimate ∥•∥n can be computed. The objective is to obtain an approximation v ∈ ℳ of an unknown function u ∈ 𝒱 by minimizing the empirical norm ∥u − v∥n. We consider this problem for general nonlinear subsets and establish error bounds for the empirical best approximation error. Our results are based on a restricted isometry property (RIP) which holds in probability and is independent of the specified nonlinear least squares setting. Several model classes are examined and the analytical statements about the RIP are compared to existing sample complexity bounds from the literature. We find that for well-studied model classes our general bound is weaker but exhibits many of the same properties as these specialized bounds. Notably, we demonstrate the advantage of an optimal sampling density (as known for linear spaces) for sets of functions with sparse representations.
- ItemA local hybrid surrogate-based finite element tearing interconnecting dual-primal method for nonsmooth random partial differential equations(Chichester [u.a.] : Wiley, 2021) Eigel, Martin; Gruhlke, RobertA domain decomposition approach for high-dimensional random partial differential equations exploiting the localization of random parameters is presented. To obtain high efficiency, surrogate models in multielement representations in the parameter space are constructed locally when possible. The method makes use of a stochastic Galerkin finite element tearing interconnecting dual-primal formulation of the underlying problem with localized representations of involved input random fields. Each local parameter space associated to a subdomain is explored by a subdivision into regions where either the parametric surrogate accuracy can be trusted or where instead one has to resort to Monte Carlo. A heuristic adaptive algorithm carries out a problem-dependent hp-refinement in a stochastic multielement sense, anisotropically enlarging the trusted surrogate region as far as possible. This results in an efficient global parameter to solution sampling scheme making use of local parametric smoothness exploration for the surrogate construction. Adequately structured problems for this scheme occur naturally when uncertainties are defined on subdomains, for example, in a multiphysics setting, or when the Karhunen–Loève expansion of a random field can be localized. The efficiency of the proposed hybrid technique is assessed with numerical benchmark problems illustrating the identification of trusted (possibly higher order) surrogate regions and nontrusted sampling regions. © 2020 The Authors. International Journal for Numerical Methods in Engineering published by John Wiley & Sons Ltd.
- ItemNumerical upscaling of parametric microstructures in a possibilistic uncertainty framework with tensor trains(Heidelberg : Springer, 2022) Eigel, Martin; Gruhlke, Robert; Moser, Dieter; Grasedyck, LarsA fuzzy arithmetic framework for the efficient possibilistic propagation of shape uncertainties based on a novel fuzzy edge detection method is introduced. The shape uncertainties stem from a blurred image that encodes the distribution of two phases in a composite material. The proposed framework employs computational homogenisation to upscale the shape uncertainty to a effective material with fuzzy material properties. For this, many samples of a linear elasticity problem have to be computed, which is significantly sped up by a highly accurate low-rank tensor surrogate. To ensure the continuity of the underlying mapping from shape parametrisation to the upscaled material behaviour, a diffeomorphism is constructed by generating an appropriate family of meshes via transformation of a reference mesh. The shape uncertainty is then propagated to measure the distance of the upscaled material to the isotropic and orthotropic material class. Finally, the fuzzy effective material is used to compute bounds for the average displacement of a non-homogenized material with uncertain star-shaped inclusion shapes.
- ItemLow-rank tensor reconstruction of concentrated densities with application to Bayesian inversion(Dordrecht [u.a.] : Springer Science + Business Media B.V, 2022) Eigel, Martin; Gruhlke, Robert; Marschall, ManuelThis paper presents a novel method for the accurate functional approximation of possibly highly concentrated probability densities. It is based on the combination of several modern techniques such as transport maps and low-rank approximations via a nonintrusive tensor train reconstruction. The central idea is to carry out computations for statistical quantities of interest such as moments based on a convenient representation of a reference density for which accurate numerical methods can be employed. Since the transport from target to reference can usually not be determined exactly, one has to cope with a perturbed reference density due to a numerically approximated transport map. By the introduction of a layered approximation and appropriate coordinate transformations, the problem is split into a set of independent approximations in seperately chosen orthonormal basis functions, combining the notions h- and p-refinement (i.e. “mesh size” and polynomial degree). An efficient low-rank representation of the perturbed reference density is achieved via the Variational Monte Carlo method. This nonintrusive regression technique reconstructs the map in the tensor train format. An a priori convergence analysis with respect to the error terms introduced by the different (deterministic and statistical) approximations in the Hellinger distance and the Kullback–Leibler divergence is derived. Important applications are presented and in particular the context of Bayesian inverse problems is illuminated which is a main motivation for the developed approach. Several numerical examples illustrate the efficacy with densities of different complexity and degrees of perturbation of the transport to the reference density. The (superior) convergence is demonstrated in comparison to Monte Carlo and Markov Chain Monte Carlo methods.
- ItemInfluence of cell shape, inhomogeneities and diffusion barriers in cell polarization models(Philadelphia, Pa. : IOP Publ., 2015) Giese, Wolfgang; Eigel, Martin; Westerheide, Sebastian; Engwer, Christian; Klipp, EddaIn silico experiments bear the potential for further understanding of biological transport processes by allowing a systematic modification of any spatial property and providing immediate simulation results. Cell polarization and spatial reorganization of membrane proteins are fundamental for cell division, chemotaxis and morphogenesis. We chose the yeast Saccharomyces cerevisiae as an exemplary model system which entails the shuttling of small Rho GTPases such as Cdc42 and Rho, between an active membrane-bound form and an inactive cytosolic form. We used partial differential equations to describe the membrane-cytosol shuttling of proteins. In this study, a consistent extension of a class of 1D reaction-diffusion systems into higher space dimensions is suggested. The membrane is modeled as a thin layer to allow for lateral diffusion and the cytosol is modeled as an enclosed volume. Two well-known polarization mechanisms were considered. One shows the classical Turing-instability patterns, the other exhibits wave-pinning dynamics. For both models, we investigated how cell shape and diffusion barriers like septin structures or bud scars influence the formation of signaling molecule clusters and subsequent polarization. An extensive set of in silico experiments with different modeling hypotheses illustrated the dependence of cell polarization models on local membrane curvature, cell size and inhomogeneities on the membrane and in the cytosol. In particular, the results of our computer simulations suggested that for both mechanisms, local diffusion barriers on the membrane facilitate Rho GTPase aggregation, while diffusion barriers in the cytosol and cell protrusions limit spontaneous molecule aggregations of active Rho GTPase locally.
- ItemAdaptive stochastic Galerkin FEM for lognormal coefficients in hierarchical tensor representations(Berlin ; Heidelberg : Springer, 2020) Eigel, Martin; Marschall, Manuel; Pfeffer, Max; Schneider, ReinholdStochastic Galerkin methods for non-affine coefficient representations are known to cause major difficulties from theoretical and numerical points of view. In this work, an adaptive Galerkin FE method for linear parametric PDEs with lognormal coefficients discretized in Hermite chaos polynomials is derived. It employs problem-adapted function spaces to ensure solvability of the variational formulation. The inherently high computational complexity of the parametric operator is made tractable by using hierarchical tensor representations. For this, a new tensor train format of the lognormal coefficient is derived and verified numerically. The central novelty is the derivation of a reliable residual-based a posteriori error estimator. This can be regarded as a unique feature of stochastic Galerkin methods. It allows for an adaptive algorithm to steer the refinements of the physical mesh and the anisotropic Wiener chaos polynomial degrees. For the evaluation of the error estimator to become feasible, a numerically efficient tensor format discretization is developed. Benchmark examples with unbounded lognormal coefficient fields illustrate the performance of the proposed Galerkin discretization and the fully adaptive algorithm.
- ItemAdaptive non-intrusive reconstruction of solutions to high-dimensional parametric PDEs(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Eigel, Martin; Farchmin, Nando; Heidenreich, Sebastian; Trunschke, PhilippNumerical methods for random parametric PDEs can greatly benefit from adaptive refinement schemes, in particular when functional approximations are computed as in stochastic Galerkin and stochastic collocations methods. This work is concerned with a non-intrusive generalization of the adaptive Galerkin FEM with residual based error estimation. It combines the non-intrusive character of a randomized least-squares method with the a posteriori error analysis of stochastic Galerkin methods. The proposed approach uses the Variational Monte Carlo method to obtain a quasi-optimal low-rank approximation of the Galerkin projection in a highly efficient hierarchical tensor format. We derive an adaptive refinement algorithm which is steered by a reliable error estimator. Opposite to stochastic Galerkin methods, the approach is easily applicable to a wide range of problems, enabling a fully automated adjustment of all discretization parameters. Benchmark examples with affine and (unbounded) lognormal coefficient fields illustrate the performance of the non-intrusive adaptive algorithm, showing best-in-class performance
- ItemLow-rank Wasserstein polynomial chaos expansions in the framework of optimal transport(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2022) Gruhlke, Robert; Eigel, MartinA unsupervised learning approach for the computation of an explicit functional representation of a random vector Y is presented, which only relies on a finite set of samples with unknown distribution. Motivated by recent advances with computational optimal transport for estimating Wasserstein distances, we develop a new Wasserstein multi-element polynomial chaos expansion (WPCE). It relies on the minimization of a regularized empirical Wasserstein metric known as debiased Sinkhorn divergence. As a requirement for an efficient polynomial basis expansion, a suitable (minimal) stochastic coordinate system X has to be determined with the aim to identify ideally independent random variables. This approach generalizes representations through diffeomorphic transport maps to the case of non-continuous and non-injective model classes M with different input and output dimension, yielding the relation Y=M(X) in distribution. Moreover, since the used PCE grows exponentially in the number of random coordinates of X, we introduce an appropriate low-rank format given as stacks of tensor trains, which alleviates the curse of dimensionality, leading to only linear dependence on the input dimension. By the choice of the model class M and the smooth loss function, higher order optimization schemes become possible. It is shown that the relaxation to a discontinuous model class is necessary to explain multimodal distributions. Moreover, the proposed framework is applied to a numerical upscaling task, considering a computationally challenging microscopic random non-periodic composite material. This leads to tractable effective macroscopic random field in adopted stochastic coordinates.
- ItemComparison of monomorphic and polymorphic approaches for uncertainty quantification with experimental investigations(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2019) Drieschner, Martin; Eigel, Martin; Gruhlke, Robert; Hömberg, Dietmar; Petryna, YuriUnavoidable uncertainties due to natural variability, inaccuracies, imperfections or lack of knowledge are always present in real world problems. To take them into account within a numerical simulation, the probability, possibility or fuzzy set theory as well as a combination of these are potentially usable for the description and quantification of uncertainties. In this work, different monomorphic and polymorphic uncertainty models are applied on linear elastic structures with non-periodic perforations in order to analyze the individual usefulness and expressiveness. The first principal stress is used as an indicator for structural failure which is evaluated and classified. In addition to classical sampling methods, a surrogate model based on artificial neural networks is presented. With regard to accuracy, efficiency and resulting numerical predictions, all methods are compared and assessed with respect to the added value. Real experiments of perforated plates under uniaxial tension are validated with the help of the different uncertainty models.
- ItemOn the convergence of adaptive stochastic collocation for elliptic partial differential equations with affine diffusion(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Eigel, Martin; Ernst, Oliver; Sprungk, Björn; Tamellini, LorenzoConvergence of an adaptive collocation method for the stationary parametric diffusion equation with finite-dimensional affine coefficient is shown. The adaptive algorithm relies on a recently introduced residual-based reliable a posteriori error estimator. For the convergence proof, a strategy recently used for a stochastic Galerkin method with an hierarchical error estimator is transferred to the collocation setting.