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- 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.
- 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.
- 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.
- 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.
- 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.
- ItemA hybrid FETI-DP method for non-smooth random partial differential equations(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Eigel, Martin; Gruhlke, RobertA domain decomposition approach exploiting the localization of random parameters in highdimensional random PDEs is presented. For high efficiency, surrogate models in multi-element representations are computed locally when possible. This makes use of a stochastic Galerkin FETI-DP formulation of the underlying problem with localized representations of involved input random fields. The local parameter space associated to a subdomain is explored by a subdivision into regions where the parametric surrogate accuracy can be trusted and where instead Monte Carlo sampling has to be employed. A heuristic adaptive algorithm carries out a problemdependent hp refinement in a stochastic multi-element sense, enlarging the trusted surrogate region in local parametric space as far as possible. This results in an efficient global parameter to solution sampling scheme making use of local parametric smoothness exploration in the involved surrogate construction. Adequately structured problems for this scheme occur naturally when uncertainties are defined on sub-domains, e.g. in a multi-physics setting, or when the Karhunen-Loéve expansion of a random field can be localized. The efficiency of this hybrid technique is demonstrated with numerical benchmark problems illustrating the identification of trusted (possibly higher order) surrogate regions and non-trusted sampling regions.
- ItemDynamical low-rank approximations of solutions to the Hamilton--Jacobi--Bellman equation(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Eigel, Martin; Schneider, Reinhold; Sommer, DavidWe present a novel method to approximate optimal feedback laws for nonlinar optimal control basedon low-rank tensor train (TT) decompositions. The approach is based on the Dirac-Frenkel variationalprinciple with the modification that the optimisation uses an empirical risk. Compared to currentstate-of-the-art TT methods, our approach exhibits a greatly reduced computational burden whileachieving comparable results. A rigorous description of the numerical scheme and demonstrations ofits performance are provided.
- ItemLocal surrogate responses in the Schwarz alternating method for elastic problems on random voided domains(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2022) Drieschner, Martin; Gruhlke, Robert; Petryna, Yuri; Eigel, Martin; Hömberg, DietmarImperfections and inaccuracies in real technical products often influence the mechanical behavior and the overall structural reliability. The prediction of real stress states and possibly resulting failure mechanisms is essential and a real challenge, e.g. in the design process. In this contribution, imperfections in elastic materials such as air voids in adhesive bonds between fiber-reinforced composites are investigated. They are modeled as arbitrarily shaped and positioned. The focus is on local displacement values as well as on associated stress concentrations caused by the imperfections. For this purpose, the resulting complex random one-scale finite element model is numerically solved by a new developed surrogate model using an overlapping domain decomposition scheme based on Schwarz alternating method. Here, the actual response of local subproblems associated with isolated material imperfections is determined by a single appropriate surrogate model, that allows for an accelerated propagation of randomness. The efficiency of the method is demonstrated for imperfections with elliptical and ellipsoidal shape in 2D and 3D and extended to arbitrarily shaped voids. For the latter one, a local surrogate model based on artificial neural networks (ANN) is constructed. Finally, a comparison to experimental results validates the numerical predictions for a real engineering problem.
- ItemAn adaptive multi level Monte-Carlo method with stochastic bounds for quantities of interest in groundwater flow with uncertain data(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2015) Eigel, Martin; Merdon, Christian; Neumann, JohannesThe focus of this work is the introduction of some computable a posteriori error control to the popular multilevel Monte Carlo sampling for PDE with stochastic data. We are especially interested in applications in the geosciences such as groundwater flow with rather rough stochastic fields for the conductive permeability. With a spatial discretisation based on finite elements, a goal functional is defined which encodes the quantity of interest. The devised goal-oriented error estimator enables to determine guaranteed a posteriori error bounds for this quantity. In particular, it allows for the adaptive refinement of the mesh hierarchy used in the multilevel Monte Carlo simulation. In addition to controlling the deterministic error, we also suggest how to treat the stochastic error in probability. Numerical experiments illustrate the performance of the presented adaptive algorithm for a posteriori error control in multilevel Monte Carlo methods. These include a localised goal with problem-adapted meshes and a slit domain example. The latter demonstrates the refinement of regions with low solution regularity based on an inexpensive explicit error estimator in the multilevel algorithm.
- ItemAn adaptive stochastic Galerkin tensor train discretization for randomly perturbed domains(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2018) Eigel, Martin; Marschall, Manuel; Multerer, MichaelA linear PDE problem for randomly perturbed domains is considered in an adaptive Galerkin framework. The perturbation of the domains boundary is described by a vector valued random field depending on a countable number of random variables in an affine way. The corresponding Karhunen-Loève expansion is approximated by the pivoted Cholesky decomposition based on a prescribed covariance function. The examined high-dimensional Galerkin system follows from the domain mapping approach, transferring the randomness from the domain to the diffusion coefficient and the forcing. In order to make this computationally feasible, the representation makes use of the modern tensor train format for the implicit compression of the problem. Moreover, an a posteriori error estimator is presented, which allows for the problem-dependent iterative refinement of all discretization parameters and the assessment of the achieved error reduction. The proposed approach is demonstrated in numerical benchmark problems.