Alexander Heinlein

A computational framework is presented to numerically simulate the effects of antihypertensive drugs, in particular calcium channel blockers, on the mechanical response of arterial walls. A stretch-dependent smooth muscle model by Uhlmann and Balzani is modified to describe the interaction of pharmacological drugs and the inhibition of smooth muscle activation. The coupled deformation-diffusion problem is then solved using the finite element software FEDDLib and overlapping Schwarz preconditioners from the Trilinos package FROSch. These preconditioners include highly scalable parallel GDSW (generalized Dryja–Smith–Widlund) and RGDSW (reduced GDSW) preconditioners. Simulation results show the expected increase in the lumen diameter of an idealized artery due to the drug-induced reduction of smooth muscle contraction, as well as a decrease in the rate of arterial contraction in the presence of calcium channel blockers. Strong and weak parallel scalability of the resulting computational implementation are also analyzed.

Sparse direct linear solvers are at the computational core of domain decomposition preconditioners and therefore have a strong impact on their performance. In this paper, we consider the Fast and Robust Overlapping Schwarz (FROSch) solver framework of the Trilinos software library, which contains a parallel implementations of the GDSW domain decomposition preconditioner. We compare three different sparse direct solvers used to solve the subdomain problems in FROSch. The preconditioner is applied to different model problems; linear elasticity and more complex fully-coupled deformation diffusion-boundary value problems from chemo-mechanics. We employ FROSch in fully algebraic mode, and therefore, we do not expect numerical scalability. Strong scalability is studied from 64 to 4096 cores, where good scaling results are obtained up to 1728 cores. The increasing size of the coarse problem increases the solution time for all sparse direct solvers.

Accurate short-term prediction of phase-resolved water wave conditions is crucial for decision-making in ocean engineering. However, the initialization of remote-sensing-based wave prediction models first requires a reconstruction of wave surfaces from sparse measurements like radar. Existing reconstruction methods either rely on computationally intensive optimization procedures or simplistic modeling assumptions that compromise real-time capability or accuracy of the entire prediction process. We therefore address these issues by proposing a novel approach for phase-resolved wave surface reconstruction using neural networks based on the U-Net and Fourier neural operator (FNO) architectures. Our approach utilizes synthetic yet highly realistic training data on uniform one-dimensional grids, that is generated by the high-order spectral method for wave simulation and a geometric radar modeling approach. The investigation reveals that both models deliver accurate wave reconstruction results and show good generalization for different sea states when trained with spatio-temporal radar data containing multiple historic radar snapshots in each input. Notably, the FNO-based network performs better in handling the data structure imposed by wave physics due to its global approach to learn the mapping between input and desired output in Fourier space.

Multiscale problems are challenging for neural network-based discretizations of differential equations, such as physics-informed neural networks (PINNs). This can be (partly) attributed to the so-called spectral bias of neural networks. To improve the performance of PINNs for time-dependent problems, a combination of multifidelity stacking PINNs and domain decomposition-based finite basis PINNs are employed. In particular, to learn the high-fidelity part of the multifidelity model, a domain decomposition in time is employed. The performance is investigated for a pendulum and a two-frequency problem as well as the Allen-Cahn equation. It can be observed that the domain decomposition approach clearly improves the PINN and stacking PINN approaches.

Computational fluid dynamics (CFD) simulations of viscous fluids described by the Navier–Stokes equations are considered. Depending on the Reynolds number of the flow, the Navier–Stokes equations may exhibit a highly nonlinear behavior. The system of nonlinear equations resulting from the discretization of the Navier–Stokes equations can be solved using nonlinear iteration methods, such as Newton’s method. However, fast quadratic convergence is typically only obtained in a local neighborhood of the solution, and for many configurations, the classical Newton iteration does not converge at all. In such cases, so-called globalization techniques may help to improve convergence. In this paper, pseudo-transient continuation is employed in order to improve nonlinear convergence. The classical algorithm is enhanced by a neural network model that is trained to predict a local pseudo-time step. Generalization of the novel approach is facilitated by predicting the local pseudo-time step separately on each element using only local information on a patch of adjacent elements as input. Numerical results for standard benchmark problems, including flow through a backward facing step geometry and Couette flow, show the performance of the machine learning-enhanced globalization approach; as the software for the simulations, the CFD module of COMSOL Multiphysics® is employed.

In recent years, the concept of introducing physics to machine learning has become widely popular. Most physics-inclusive ML-techniques however are still limited to a single geometry or a set of parametrizable geometries. Thus, there remains the need to train a new model for a new geometry, even if it is only slightly modified. With this work we introduce a technique with which it is possible to learn approximate solutions to the steady-state Navier–Stokes equations in varying geometries without the need of parametrization. This technique is based on a combination of a U-Net-like CNN and well established discretization methods from the field of the finite difference method. The results of our physics-aware CNN are compared to a state-of-the-art data-based approach. Additionally, it is also shown how our approach performs when combined with the data-based approach.