Philipp Knechtges

Franziska Griese, Fabian Hoppe, Alexander Rüttgers et al.

The numerical simulation and optimization of technical systems described by partial differential equations is expensive, especially in multi-query scenarios in which the underlying equations have to be solved for different parameters. A comparatively new approach in this context is to combine the good approximation properties of neural networks (for parameter dependence) with the classical finite element method (for discretization). However, instead of considering the solution mapping of the PDE from the parameter space into the FEM-discretized solution space as a purely data-driven regression problem, so-called physically informed regression problems have proven to be useful. In these, the equation residual is minimized during the training of the neural network, i.e., the neural network "learns" the physics underlying the problem. In this paper, we extend this approach to saddle-point and non-linear fluid dynamics problems, respectively, namely stationary Stokes and stationary Navier-Stokes equations. In particular, we propose a modification of the existing approach: Instead of minimizing the plain vanilla equation residual during training, we minimize the equation residual modified by a preconditioner. By analogy with the linear case, this also improves the condition in the present non-linear case. Our numerical examples demonstrate that this approach significantly reduces the training effort and greatly increases accuracy and generalizability. Finally, we show the application of the resulting parameterized model to a related inverse problem.

F. Terhag, P. Knechtges, A. Basermann et al.

Recent studies have confirmed cardiovascular diseases remain responsible for highest death toll amongst non-communicable diseases. Accurate left ventricular (LV) volume estimation is critical for valid diagnosis and management of various cardiovascular conditions, but poses significant challenge due to inherent uncertainties associated with segmentation algorithms in magnetic resonance imaging (MRI). Recent machine learning advancements, particularly U-Net-like convolutional networks, have facilitated automated segmentation for medical images, but struggles under certain pathologies and/or different scanner vendors and imaging protocols. This study proposes a novel methodology for post-hoc uncertainty estimation in LV volume prediction using Itô stochastic differential equations (SDEs) to model path-wise behavior for the prediction error. The model describes the area of the left ventricle along the heart's long axis. The method is agnostic to the underlying segmentation algorithm, facilitating its use with various existing and future segmentation technologies. The proposed approach provides a mechanism for quantifying uncertainty, enabling medical professionals to intervene for unreliable predictions. This is of utmost importance in critical applications such as medical diagnosis, where prediction accuracy and reliability can directly impact patient outcomes. The method is also robust to dataset changes, enabling application for medical centers with limited access to labeled data. Our findings highlight the proposed uncertainty estimation methodology's potential to enhance automated segmentation robustness and generalizability, paving the way for more reliable and accurate LV volume estimation in clinical settings as well as opening new avenues for uncertainty quantification in biomedical image segmentation, providing promising directions for future research.

Felix Terhag, Philipp Knechtges, Achim Basermann et al.

Cardiac real-time magnetic resonance imaging (MRI) is an emerging technology that images the heart at up to 50 frames per second, offering insight into the respiratory effects on the heartbeat. However, this method significantly increases the number of images that must be segmented to derive critical health indicators. Although neural networks perform well on inner slices, predictions on outer slices are often unreliable. This work proposes sparse Bayesian learning (SBL) to predict the ventricular volume on outer slices with minimal manual labeling to address this challenge. The ventricular volume over time is assumed to be dominated by sparse frequencies corresponding to the heart and respiratory rates. Moreover, SBL identifies these sparse frequencies on well-segmented inner slices by optimizing hyperparameters via type -II likelihood, automatically pruning irrelevant components. The identified sparse frequencies guide the selection of outer slice images for labeling, minimizing posterior variance. This work provides performance guarantees for the greedy algorithm. Testing on patient data demonstrates that only a few labeled images are necessary for accurate volume prediction. The labeling procedure effectively avoids selecting inefficient images. Furthermore, the Bayesian approach provides uncertainty estimates, highlighting unreliable predictions (e.g., when choosing suboptimal labels).

Markus Götz, Daniel Coquelin, Charlotte Debus et al.

To cope with the rapid growth in available data, the efficiency of data analysis and machine learning libraries has recently received increased attention. Although great advancements have been made in traditional array-based computations, most are limited by the resources available on a single computation node. Consequently, novel approaches must be made to exploit distributed resources, e.g. distributed memory architectures. To this end, we introduce HeAT, an array-based numerical programming framework for large-scale parallel processing with an easy-to-use NumPy-like API. HeAT utilizes PyTorch as a node-local eager execution engine and distributes the workload on arbitrarily large high-performance computing systems via MPI. It provides both low-level array computations, as well as assorted higher-level algorithms. With HeAT, it is possible for a NumPy user to take full advantage of their available resources, significantly lowering the barrier to distributed data analysis. When compared to similar frameworks, HeAT achieves speedups of up to two orders of magnitude.