arXiv subjects

Barbara Wohlmuth

Publications and source records attributed to Barbara Wohlmuth.

At least 37 records · Page 2Linked to original sources

arXiv2025

U-net based prediction of cerebrospinal fluid distribution and ventricular reflux grading

Previous work indicates evidence that cerebrospinal fluid (CSF) plays a crucial role in brain waste clearance processes, and that altered flow patterns are associated with various diseases of the central nervous system. In this study, we investigate the potential of deep learning to predict the distribution in human brain of a gadolinium-based CSF contrast agent (tracer) administered intrathecal. For this, T1-weighted magnetic resonance imaging (MRI) scans taken at multiple time points before and after injection were utilized. We propose a U-net-based supervised learning model to predict pixel-wise signal increase at its peak after 24 hours. Performance is evaluated based on different tracer distribution stages provided during training, including predictions from baseline scans taken before injection. Our findings show that training with imaging data from only the first two hours post-injection yields tracer flow predictions comparable to models trained with additional later-stage scans. Validation against ventricular reflux gradings from neuroradiologists confirmed alignment with expert evaluations. These results demonstrate that deep learning-based methods for CSF flow prediction deserve more attention, as minimizing MR imaging without compromising clinical analysis could enhance efficiency, improve patient well-being, and lower healthcare costs.

eess.IV↗

arXiv2024

On the Convergence of Learning Algorithms in Bayesian Auction Games

Equilibrium problems in Bayesian auction games can be described as systems of differential equations. Depending on the model assumptions, these equations might be such that we do not have a rigorous mathematical solution theory. The lack of analytical or numerical techniques with guaranteed convergence for the equilibrium problem has plagued the field and limited equilibrium analysis to rather simple auction models such as single-object auctions. Recent advances in equilibrium learning led to algorithms that find equilibrium under a wide variety of model assumptions. We analyze first- and second-price auctions where simple learning algorithms converge to an equilibrium. The equilibrium problem in auctions is equivalent to solving an infinite-dimensional variational inequality (VI). Monotonicity and the Minty condition are the central sufficient conditions for learning algorithms to converge to an equilibrium in such VIs. We show that neither monotonicity nor pseudo- or quasi-monotonicity holds for the respective VIs. The second-price auction's equilibrium is a Minty-type solution, but the first-price auction is not. However, the Bayes--Nash equilibrium is the unique solution to the VI within the class of uniformly increasing bid functions, which ensures that gradient-based algorithms attain the equilibrium in case of convergence, as also observed in numerical experiments.

cs.GT↗

arXiv2024

Numerical simulation of dilute polymeric fluids with memory effects in the turbulent flow regime

We address the numerical challenge of solving the Hookean-type time-fractional Navier--Stokes--Fokker--Planck equation, a history-dependent system of PDEs defined on the Cartesian product of two $d$-dimensional spaces in the turbulent regime. Due to its high dimensionality, the non-locality with respect to time, and the resolution required to resolve turbulent flow, this problem is highly demanding. To overcome these challenges, we employ the Hermite spectral method for the configuration space of the Fokker--Planck equation, reducing the problem to a purely macroscopic model. Considering scenarios for available analytical solutions, we prove the existence of an optimal choice of the Hermite scaling parameter. With this choice, the macroscopic system is equivalent to solving the coupled micro-macro system. We apply second-order time integration and extrapolation of the coupling terms, achieving, for the first time, convergence rates for the fully coupled time-fractional system independent of the order of the time-fractional derivative. Our efficient implementation of the numerical scheme allows turbulent simulations of dilute polymeric fluids with memory effects in two and three dimensions. Numerical simulations show that memory effects weaken the drag-reducing effect of added polymer molecules in the turbulent flow regime.

math.NA↗

arXiv2024

A Lattice Boltzmann Method for Non-Newtonian Blood Flow in Coiled Intracranial Aneurysms

Intracranial aneurysms are the leading cause of hemorrhagic stroke. One of the established treatment approaches is the embolization induced by coil insertion. However, the prediction of treatment and subsequent changed flow characteristics in the aneurysm is still an open problem. In this work, we present an approach based on a patient-specific geometry and parameters including a coil representation as inhomogeneous porous medium. The model consists of the volume-averaged Navier-Stokes equations for a non-Newtonian blood rheology. We solve these equations using a problem-adapted lattice Boltzmann method and present a comparison between fully-resolved and volume-averaged simulations. The results indicate the validity of the model. Overall, this workflow allows for patient specific assessment of the flow due to potential treatment.

math.NA↗

arXiv2024

Regularity Analysis and High-Order Time Stepping Scheme for Quasilinear Subdiffusion

In this work, we investigate a quasilinear subdiffusion model which involves a fractional derivative of order $α\in (0,1)$ in time and a nonlinear diffusion coefficient. First, using smoothing properties of solution operators for linear subdiffusion and a perturbation argument, we prove several pointwise-in-time regularity estimates that are useful for numerical analysis. Then we develop a high-order time stepping scheme for solving quasilinear subdiffusion, based on convolution quadrature generated by second-order backward differentiation formula with correction at the first step. Further, we establish that the convergence order of the scheme is $O(τ^{1+α-ε})$ without imposing any additional assumption on the regularity of the solution. The analysis relies on refined Sobolev regularity of the nonlinear perturbation remainder and smoothing properties of discrete solution operators. Several numerical experiments in two space dimensions show the sharpness of the error estimate.

math.NA↗

arXiv2024

Finite elements for Matérn-type random fields: Uncertainty in computational mechanics and design optimization

This work highlights an approach for incorporating realistic uncertainties into scientific computing workflows based on finite elements, focusing on applications in computational mechanics and design optimization. We leverage Matérn-type Gaussian random fields (GRFs) generated using the SPDE method to model aleatoric uncertainties, including environmental influences, variating material properties, and geometric ambiguities. Our focus lies on delivering practical GRF realizations that accurately capture imperfections and variations and understanding how they impact the predictions of computational models and the topology of optimized designs. We describe a numerical algorithm based on solving a generalized SPDE to sample GRFs on arbitrary meshed domains. The algorithm leverages established techniques and integrates seamlessly with the open-source finite element library MFEM and associated scientific computing workflows, like those found in industrial and national laboratory settings. Our solver scales efficiently for large-scale problems and supports various domain types, including surfaces and embedded manifolds. We showcase its versatility through biomechanics and topology optimization applications. The flexibility and efficiency of SPDE-based GRF generation empower us to run large-scale optimization problems on 2D and 3D domains, including finding optimized designs on embedded surfaces, and to generate topologies beyond the reach of conventional techniques. Moreover, these capabilities allow us to model geometric uncertainties of reconstructed submanifolds, such as the surfaces of cerebral aneurysms. In addition to offering benefits in these specific domains, the proposed techniques transcend specific applications and generalize to arbitrary forward and backward problems in uncertainty quantification involving finite elements.

cs.CE↗

arXiv2024

Calibration of stochastic, agent-based neuron growth models with Approximate Bayesian Computation

Understanding how genetically encoded rules drive and guide complex neuronal growth processes is essential to comprehending the brain's architecture, and agent-based models (ABMs) offer a powerful simulation approach to further develop this understanding. However, accurately calibrating these models remains a challenge. Here, we present a novel application of Approximate Bayesian Computation (ABC) to address this issue. ABMs are based on parametrized stochastic rules that describe the time evolution of small components -- the so-called agents -- discretizing the system, leading to stochastic simulations that require appropriate treatment. Mathematically, the calibration defines a stochastic inverse problem. We propose to address it in a Bayesian setting using ABC. We facilitate the repeated comparison between data and simulations by quantifying the morphological information of single neurons with so-called morphometrics and resort to statistical distances to measure discrepancies between populations thereof. We conduct experiments on synthetic as well as experimental data. We find that ABC utilizing Sequential Monte Carlo sampling and the Wasserstein distance finds accurate posterior parameter distributions for representative ABMs. We further demonstrate that these ABMs capture specific features of pyramidal cells of the hippocampus (CA1). Overall, this work establishes a robust framework for calibrating agent-based neuronal growth models and opens the door for future investigations using Bayesian techniques for model building, verification, and adequacy assessment.

cs.CE↗

arXiv2024

Numerical simulation of individual coil placement -- A proof-of-concept study for the prediction of recurrence after aneurysm coiling

Rupture of intracranial aneurysms results in severe subarachnoidal hemorrhage, which is associated with high morbidity and mortality. Neurointerventional occlusion of the aneurysm through coiling has evolved to a therapeutical standard. The choice of the specific coil has an important influence on secondary regrowth requiring retreatment. Aneurysm occlusion was simulated either through virtual implantation of a preshaped 3D coil or with a porous media approach. In this study, we used a recently developed numerical approach to simulate aneurysm shapes in specific challenging aneurysm anatomies and correlated these with aneurysm recurrence 6 months after treatment. The simulation showed a great variety of coil shapes depending on the variability in possible microcatheter positions. Aneurysms with a later recurrence showed a tendency for more successful coiling attempts. Results revealed further trends suggesting lower simulated packing densities in aneurysms with reoccurrence. Simulated packing densities did not correlate with those calculated by conventional software, indicating the potential for our approach to offer additional predictive value. Our study, therefore, pioneers a comprehensive numerical model for simulating aneurysm coiling, providing insights into individualized treatment strategies and outcome prediction. Future directions involve expanding the model's capabilities to simulate intraprocedural outcomes and long-term predictions, aiming to refine occlusion quality criteria and validate prediction parameters in larger patient cohorts. This simulation framework holds promise for enhancing clinical decision-making and optimizing patient outcomes in endovascular aneurysm treatment.

cs.CE↗

arXiv2024

Numerical simulation of endovascular treatment options for cerebral aneurysms

Predicting the long-term success of endovascular interventions in the clinical management of cerebral aneurysms requires detailed insight into the patient-specific physiological conditions. In this work, we not only propose numerical representations of endovascular medical devices such as coils, flow diverters or Woven EndoBridge but also outline numerical models for the prediction of blood flow patterns in the aneurysm cavity right after a surgical intervention. Detailed knowledge about the post-surgical state then lays the basis to assess the chances of a stable occlusion of the aneurysm required for a long-term treatment success. To this end, we propose mathematical and mechanical models of endovascular medical devices made out of thin metal wires. These can then be used for fully resolved flow simulations of the post-surgical blood flow, which in this work will be performed by means of a Lattice Boltzmann method applied to the incompressible Navier-Stokes equations and patient-specific geometries. To probe the suitability of homogenized models, we also investigate poro-elastic models to represent such medical devices. In particular, we examine the validity of this modeling approach for flow diverter placement across the opening of the aneurysm cavity. For both approaches, physiologically meaningful boundary conditions are provided from reduced-order models of the vascular system. The present study demonstrates our capabilities to predict the post-surgical state and lays a solid foundation to tackle the prediction of thrombus formation and, thus, the aneurysm occlusion in a next step.

math.NA↗

arXiv2024

A Comprehensive Numerical Approach to Coil Placement in Cerebral Aneurysms: Mathematical Modeling and In Silico Occlusion Classification

Endovascular coil embolization is one of the primary treatment techniques for cerebral aneurysms. Although it is a well established and minimally invasive method, it bears the risk of sub-optimal coil placement which can lead to incomplete occlusion of the aneurysm possibly causing recurrence. One of the key features of coils is that they have an imprinted natural shape supporting the fixation within the aneurysm. For the spatial discretization our mathematical coil model is based on the Discrete Elastic Rod model which results in a dimension-reduced 1D system of differential equations. We include bending and twisting responses to account for the coils natural curvature. Collisions between coil segments and the aneurysm-wall are handled by an efficient contact algorithm that relies on an octree based collision detection. The numerical solution of the model is obtained by a symplectic semi-implicit Euler time stepping method. Our model can be easily incorporated into blood flow simulations of embolized aneurysms. In order to differentiate optimal from sub-optimal placements, we employ a suitable in silico Raymond-Roy type occlusion classification and measure the local packing density in the aneurysm at its neck, wall-region and core. We investigate the impact of uncertainties in the coil parameters and embolization procedure. To this end, we vary the position and the angle of insertion of the microcatheter, and approximate the local packing density distributions by evaluating sample statistics.

cs.CE↗

arXiv2023

Directional flow in perivascular networks: Mixed finite elements for reduced-dimensional models on graphs

The flow of cerebrospinal fluid through the perivascular spaces of the brain is believed to play a crucial role in eliminating toxic waste proteins. While the driving forces of this flow have been enigmatic, experiments have shown that arterial wall motion is central. In this work, we present a network model for simulating pulsatile fluid flow in perivascular networks. We establish the well-posedness of this model in the primal and dual mixed variational settings, and show how it can be discretized using mixed finite elements. Further, we utilize this model to investigate fundamental questions concerning the physical mechanisms governing perivascular fluid flow. Notably, our findings reveal that arterial pulsations can induce directional flow in branching perivascular networks.

math.AP↗

arXiv2023

Analysis of a dilute polymer model with a time-fractional derivative

We investigate the well-posedness of a coupled Navier-Stokes-Fokker-Planck system with a time-fractional derivative. Such systems arise in the kinetic theory of dilute solutions of polymeric liquids, where the motion of noninteracting polymer chains in a Newtonian solvent is modelled by a stochastic process exhibiting power-law waiting time, in order to capture subdiffusive processes associated with non-Fickian diffusion. We outline the derivation of the model from a subordinated Langevin equation. The elastic properties of the polymer molecules immersed in the solvent are modelled by a finitely extensible nonlinear elastic (FENE) dumbbell model, and the drag term in the Fokker--Planck equation is assumed to be corotational. We prove the global-in-time existence of large-data weak solutions to this time-fractional model of order $α\in (\tfrac12,1)$, and derive an energy inequality satisfied by weak solutions.

math.AP↗

arXiv2023

Bridging Scales: a Hybrid Model to Simulate Vascular Tumor Growth and Treatment Response

Cancer is a disease driven by random DNA mutations and the interaction of many complex phenomena. To improve the understanding and ultimately find more effective treatments, researchers leverage computer simulations mimicking the tumor growth in silico. The challenge here is to account for the many phenomena influencing the disease progression and treatment protocols. This work introduces a computational model to simulate vascular tumor growth and the response to drug treatments in 3D. It consists of two agent-based models for the tumor cells and the vasculature. Moreover, partial differential equations govern the diffusive dynamics of the nutrients, the vascular endothelial growth factor, and two cancer drugs. The model focuses explicitly on breast cancer cells over-expressing HER2 receptors and a treatment combining standard chemotherapy (Doxorubicin) and monoclonal antibodies with anti-angiogenic properties (Trastuzumab). However, large parts of the model generalize to other scenarios. We show that the model qualitatively captures the effects of the combination therapy by comparing our simulation results with previously published pre-clinical data. Furthermore, we demonstrate the scalability of the model and the associated C++ code by simulating a vascular tumor occupying a volume of 400mm3 using a total of 92.5 million agents.

physics.comp-ph↗

arXiv2023

A phase-field model for non-small cell lung cancer under the effects of immunotherapy

Formulating tumor models that predict growth under therapy is vital for improving patient-specific treatment plans. In this context, we present our recent work on simulating non-small-scale cell lung cancer (NSCLC) in a simple, deterministic setting for two different patients receiving an immunotherapeutic treatment. At its core, our model consists of a Cahn-Hilliard-based phase-field model describing the evolution of proliferative and necrotic tumor cells. These are coupled to a simplified nutrient model that drives the growth of the proliferative cells and their decay into necrotic cells. The applied immunotherapy decreases the proliferative cell concentration. Here, we model the immunotherapeutic agent concentration in the entire lung over time by an ordinary differential equation (ODE). Finally, reaction terms provide a coupling between all these equations. By assuming spherical, symmetric tumor growth and constant nutrient inflow, we simplify this full 3D cancer simulation model to a reduced 1D model. We can then resort to patient data gathered from computed tomography (CT) scans over several years to calibrate our model. For the reduced 1D model, we show that our model can qualitatively describe observations during immunotherapy by fitting our model parameters to existing patient data. Our model covers cases in which the immunotherapy is successful and limits the tumor size, as well as cases predicting a sudden relapse, leading to exponential tumor growth. Finally, we move from the reduced model back to the full 3D cancer simulation in the lung tissue. Thereby, we show the predictive benefits a more detailed patient-specific simulation including spatial information could yield in the future.

math.NA↗

arXiv2023

Adaptive sampling strategies for risk-averse stochastic optimization with constraints

We introduce adaptive sampling methods for stochastic programs with deterministic constraints. First, we propose and analyze a variant of the stochastic projected gradient method where the sample size used to approximate the reduced gradient is determined on-the-fly and updated adaptively. This method is applicable to a broad class of expectation-based risk measures and leads to a significant reduction in the individual gradient evaluations used to estimate the objective function gradient. Numerical experiments with expected risk minimization and conditional value-at-risk minimization support this conclusion and demonstrate practical performance and efficacy for both risk-neutral and risk-averse problems. Second, we propose an SQP-type method based on similar adaptive sampling principles. The benefits of this method are demonstrated in a simplified engineering design application featuring risk-averse shape optimization of a steel shell structure subject to uncertain loading conditions and model uncertainty.

math.OC↗

arXiv2022

A matrix-free ILU realization based on surrogates

Matrix-free techniques play an increasingly important role in large-scale simulations. Schur complement techniques and massively parallel multigrid solvers for second-order elliptic partial differential equations can significantly benefit from reduced memory traffic and consumption. The matrix-free approach often restricts solver components to purely local operations, for instance, the Jacobi- or Gauss--Seidel-Smoothers in multigrid methods. An incomplete LU (ILU) decomposition cannot be calculated from local information and is therefore not amenable to an on-the-fly computation which is typically needed for matrix-free calculations. It generally requires the storage and factorization of a sparse matrix which contradicts the low memory requirements in large scale scenarios. In this work, we propose a matrix-free ILU realization. More precisely, we introduce a memory-efficient, matrix-free ILU(0)-Smoother component for low-order conforming finite elements on tetrahedral hybrid grids. Hybrid grids consist of an unstructured macro-mesh which is subdivided into a structured micro-mesh. The ILU(0) is used for degrees-of-freedom assigned to the interior of macro-tetrahedra. This ILU(0)-Smoother can be used for the efficient matrix-free evaluation of the Steklov-Poincare operator from domain-decomposition methods. After introducing and formally defining our smoother, we investigate its performance on refined macro-tetrahedra. Secondly, the ILU(0)-Smoother on the macro-tetrahedrons is implemented via surrogate matrix polynomials in conjunction with a fast on-the-fly evaluation scheme resulting in an efficient matrix-free algorithm. The polynomial coefficients are obtained by solving a least-squares problem on a small part of the factorized ILU(0) matrices to stay memory efficient. The convergence rates of this smoother with respect to the polynomial order are thoroughly studied.

math.NA↗

arXiv2022

Risk-averse design of tall buildings for uncertain wind conditions

Reducing the intensity of wind excitation via aerodynamic shape modification is a major strategy to mitigate the reaction forces on supertall buildings, reduce construction and maintenance costs, and improve the comfort of future occupants. To this end, computational fluid dynamics (CFD) combined with state-of-the-art stochastic optimization algorithms is more promising than the trial and error approach adopted by the industry. The present study proposes and investigates a novel approach to risk-averse shape optimization of tall building structures that incorporates site-specific uncertainties in the wind velocity, terrain conditions, and wind flow direction. A body-fitted finite element approximation is used for the CFD with different wind directions incorporated by re-meshing the fluid domain. The bending moment at the base of the building is minimized, resulting in a building with reduced cost, material, and hence, a reduced carbon footprint. Both risk-neutral and risk-averse optimization of the twist and tapering of a representative building are presented under uncertain inflow wind conditions that have been calibrated to fit freely-available site-specific data from Basel, Switzerland. The risk-averse strategy uses the conditional value-at-risk to optimize for the low-probability high-consequence events appearing in the worst 10% of loading conditions. Adaptive sampling is used to accelerate the gradient-based stochastic optimization pipeline. The adaptive method is easy to implement and particularly helpful for compute-intensive simulations because the number of gradient samples grows only as the optimal design algorithm converges. The performance of the final risk-averse building geometry is exceptionally favorable when compared to the risk-neutral optimized geometry, thus, demonstrating the effectiveness of the risk-averse design approach in computational wind engineering.

cs.CE↗

arXiv2022

Solving time-fractional differential equation via rational approximation

Fractional differential equations (FDEs) describe subdiffusion behavior of dynamical systems. Its non-local structure requires taking into account the whole evolution history during the time integration, which then possibly causes additional memory use to store the history, growing in time. An alternative to a quadrature for the history integral is to approximate the fractional kernel with the sum of exponentials, which is equivalent to considering the FDE solution as a sum of solutions to a system of ODEs. One possibility to construct this system is to approximate the Laplace spectrum of the fractional kernel with a rational function. In this paper, we use the adaptive Antoulas--Anderson (AAA) algorithm for the rational approximation of the kernel spectrum which yields only a small number of real valued poles. We propose a numerical scheme based on this idea and study its stability and convergence properties. In addition, we apply the algorithm to a time-fractional Cahn-Hilliard problem.

math.NA↗