Researcher profile

Rolf Krause

Rolf Krause contributes to research discovery and scholarly infrastructure.

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Published work

12 published item(s)

preprint2026arXiv

A Non-Monotone Preconditioned Trust-Region Method for Neural Network Training

Training deep neural networks at scale can benefit from domain decomposition, where the network is split into subdomains trained in parallel and coupled by a global trust-region mechanism. Building on the Additively Preconditioned Trust-Region Strategy (APTS), we propose a non-monotone variant with a nonlinear additive Schwarz preconditioner that combines parallel subdomain corrections with global coarse-space directions. A windowed acceptance criterion allows controlled objective increases, avoiding needless rejection of effective coarse steps. The resulting non-monotone APTS (NAPTS) preserves accuracy while reducing CPU time by 30\% and cutting rejected steps to one third of those in APTS.

preprint2026arXiv

Cell Behavior Video Classification Challenge, a benchmark for computer vision methods in time-lapse microscopy

The classification of microscopy videos capturing complex cellular behaviors is crucial for understanding and quantifying the dynamics of biological processes over time. However, it remains a frontier in computer vision, requiring approaches that effectively model the shape and motion of objects without rigid boundaries, extract hierarchical spatiotemporal features from entire image sequences rather than static frames, and account for multiple objects within the field of view. To this end, we organized the Cell Behavior Video Classification Challenge (CBVCC), benchmarking 35 methods based on three approaches: classification of tracking-derived features, end-to-end deep learning architectures to directly learn spatiotemporal features from the entire video sequence without explicit cell tracking, or ensembling tracking-derived with image-derived features. We discuss the results achieved by the participants and compare the potential and limitations of each approach, serving as a basis to foster the development of computer vision methods for studying cellular dynamics.

preprint2022arXiv

Globally Convergent Multilevel Training of Deep Residual Networks

We propose a globally convergent multilevel training method for deep residual networks (ResNets). The devised method can be seen as a novel variant of the recursive multilevel trust-region (RMTR) method, which operates in hybrid (stochastic-deterministic) settings by adaptively adjusting mini-batch sizes during the training. The multilevel hierarchy and the transfer operators are constructed by exploiting a dynamical system's viewpoint, which interprets forward propagation through the ResNet as a forward Euler discretization of an initial value problem. In contrast to traditional training approaches, our novel RMTR method also incorporates curvature information on all levels of the multilevel hierarchy by means of the limited-memory SR1 method. The overall performance and the convergence properties of our multilevel training method are numerically investigated using examples from the field of classification and regression.

preprint2021arXiv

A Generalized Multigrid Method for Solving Contact Problems in Lagrange Multiplier based Unfitted Finite Element Method

Internal interfaces in a domain could exist as a material defect or they can appear due to propagations of cracks. Discretization of such geometries and solution of the contact problem on the internal interfaces can be computationally challenging. We employ an unfitted Finite Element (FE) framework for the discretization of the domains and develop a tailored, globally convergent, and efficient multigrid method for solving contact problems on the internal interfaces. In the unfitted FE methods, structured background meshes are used and only the underlying finite element space has to be modified to incorporate the discontinuities. The non-penetration conditions on the embedded interfaces of the domains are discretized using the method of Lagrange multipliers. We reformulate the arising variational inequality problem as a quadratic minimization problem with linear inequality constraints. Our multigrid method can solve such problems by employing a tailored multilevel hierarchy of the FE spaces and a novel approach for tackling the discretized non-penetration conditions. We employ pseudo-$L^2$ projection-based transfer operators to construct a hierarchy of nested FE spaces from the hierarchy of non-nested meshes. The essential component of our multigrid method is a technique that decouples the linear constraints using an orthogonal transformation of the basis. The decoupled constraints are handled by a modified variant of the projected Gauss-Seidel method, which we employ as a smoother in the multigrid method. These components of the multigrid method allow us to enforce linear constraints locally and ensure the global convergence of our method. We will demonstrate the robustness, efficiency, and level independent convergence property of the proposed method for Signorini's problem and two-body contact problems.

preprint2021arXiv

An experimental comparison of a space-time multigrid method with PFASST for a reaction-diffusion problem

We consider two parallel-in-time approaches applied to a (reaction) diffusion problem, possibly non-linear. In particular, we consider PFASST (Parallel Full Approximation Scheme in Space and Time) and space-time multilevel strategies. For both approaches, we start from an integral formulation of the continuous time-dependent problem. Then, a collocation form for PFASST and a discontinuous Galerkin discretization in time for the space-time multigrid are employed, resulting in the same discrete solution at the time nodes. Strong and weak scaling of both multilevel strategies is compared for varying order of the temporal discretization. Moreover, we investigate the respective convergence behavior for non-linear problems and highlight quantitative differences.

preprint2021arXiv

Space-time multilevel Monte Carlo methods and their application to cardiac electrophysiology

We present a novel approach aimed at high-performance uncertainty quantification for time-dependent problems governed by partial differential equations. In particular, we consider input uncertainties described by a Karhunen-Loeeve expansion and compute statistics of high-dimensional quantities-of-interest, such as the cardiac activation potential. Our methodology relies on a close integration of multilevel Monte Carlo methods, parallel iterative solvers, and a space-time discretization. This combination allows for space-time adaptivity, time-changing domains, and to take advantage of past samples to initialize the space-time solution. The resulting sequence of problems is distributed using a multilevel parallelization strategy, allocating batches of samples having different sizes to a different number of processors. We assess the performance of the proposed framework by showing in detail its application to the solution of nonlinear equations arising from cardiac electrophysiology. Specifically, we study the effect of spatially-correlated perturbations of the heart fibers conductivities on the mean and variance of the resulting activation map. As shown by the experiments, the theoretical rates of convergence of multilevel Monte Carlo are achieved. Moreover, the total computational work for a prescribed accuracy is reduced by an order of magnitude with respect to standard Monte Carlo methods.

preprint2020arXiv

A Multilevel Approach to Training

We propose a novel training method based on nonlinear multilevel minimization techniques, commonly used for solving discretized large scale partial differential equations. Our multilevel training method constructs a multilevel hierarchy by reducing the number of samples. The training of the original model is then enhanced by internally training surrogate models constructed with fewer samples. We construct the surrogate models using first-order consistency approach. This gives rise to surrogate models, whose gradients are stochastic estimators of the full gradient, but with reduced variance compared to standard stochastic gradient estimators. We illustrate the convergence behavior of the proposed multilevel method to machine learning applications based on logistic regression. A comparison with subsampled Newton's and variance reduction methods demonstrate the efficiency of our multilevel method.

preprint2020arXiv

Modelling of hydro-mechanical processes in heterogeneous fracture intersections using a fictitious domain method with variational transfer operators

Fluid flow in rough fractures and the coupling with the mechanical behaviour of the fractures pose great difficulties for numerical modeling approaches, due to complex fracture surface topographies, the non-linearity of hydromechanical processes and their tightly coupled nature. To this end, we have adapted a fictitious domain method to enable the simulation of hydromechanical processes in fracture-intersections. The main characteristic of the method is the immersion of the fracture, modelled as a linear elastic solid, in the surrounding computational fluid domain, modelled with the incompressible Navier Stokes equations. The fluid and the solid problems are coupled with variational transfer operators. Variational transfer operators are also used to solve contact within the fracture using a dual mortar approach and to generate problem specific fluid meshes. With respect to our applications, the key features of the method are the usage of different finite element discretizations for the solid and the fluid problem and the automatically generated representation of the fluid-solid boundary. We demonstrate that the presented methodology resolves small-scale roughness on the fracture surface, while capturing fluid flow field changes during mechanical loading. Starting with 2D/3D benchmark simulations of intersected fractures, we end with an intersected fracture composed of complex fracture surface topographies, which are in contact under increasing loads. The contributions of this article are: (1) the application of the fictitious domain method to study flow in fractures with intersections, (2) a mortar based contact solver for the solid problem, (3) generation of problem specific grids using the geometry information from the variational transfer operators.

preprint2020arXiv

Multilevel Minimization for Deep Residual Networks

We present a new multilevel minimization framework for the training of deep residual networks (ResNets), which has the potential to significantly reduce training time and effort. Our framework is based on the dynamical system's viewpoint, which formulates a ResNet as the discretization of an initial value problem. The training process is then formulated as a time-dependent optimal control problem, which we discretize using different time-discretization parameters, eventually generating multilevel-hierarchy of auxiliary networks with different resolutions. The training of the original ResNet is then enhanced by training the auxiliary networks with reduced resolutions. By design, our framework is conveniently independent of the choice of the training strategy chosen on each level of the multilevel hierarchy. By means of numerical examples, we analyze the convergence behavior of the proposed method and demonstrate its robustness. For our examples we employ a multilevel gradient-based methods. Comparisons with standard single level methods show a speedup of more than factor three while achieving the same validation accuracy.

preprint2020arXiv

PIEMAP: Personalized Inverse Eikonal Model from cardiac Electro-Anatomical Maps

Electroanatomical mapping, a keystone diagnostic tool in cardiac electrophysiology studies, can provide high-density maps of the local electric properties of the tissue. It is therefore tempting to use such data to better individualize current patient-specific models of the heart through a data assimilation procedure and to extract potentially insightful information such as conduction properties. Parameter identification for state-of-the-art cardiac models is however a challenging task. In this work, we introduce a novel inverse problem for inferring the anisotropic structure of the conductivity tensor, that is fiber orientation and conduction velocity along and across fibers, of an eikonal model for cardiac activation. The proposed method, named PIEMAP, performed robustly with synthetic data and showed promising results with clinical data. These results suggest that PIEMAP could be a useful supplement in future clinical workflows of personalized therapies.

preprint2019arXiv

3D non-conforming mesh model for flow in fractured porous media using Lagrange multipliers

This work presents a modeling approach for single-phase flow in 3D fractured porous media with non-conforming meshes. To this end, a Lagrange multiplier method is combined with a parallel $L^2$-projection variational transfer approach. This Lagrange multiplier method enables the use of non-conforming meshes and depicts the variable coupling between fracture and matrix domain. The $L^2$-projection variational transfer allows general, accurate, and parallel projection of variables between non-conforming meshes (i.e. between fracture and matrix domain). Comparisons of simulations with 2D benchmarks show good agreement, and the method is further validated on 3D fracture networks by comparing it to results from conforming mesh simulations which were used as a reference. Application to realistic fracture networks with hundreds of fractures is demonstrated. Mesh size and mesh convergence are investigated for benchmark cases and 3D fracture network applications. Results demonstrate that the Lagrange multiplier method, in combination with the $L^2$-projection method, is capable of modeling single-phase flow through realistic 3D fracture networks.

preprint2019arXiv

Recursive multilevel trust region method with application to fully monolithic phase-field models of brittle fracture

The simulation of crack initiation and propagation in an elastic material is difficult, as crack paths with complex topologies have to be resolved. Phase-field approach allows to simulate crack behavior by circumventing the need to explicitly model crack paths. However, the underlying mathematical model gives rise to a non-convex constrained minimization problem. In this work, we propose a recursive multilevel trust region (RMTR) method to efficiently solve such a minimization problem. The RMTR method combines the global convergence property of the trust region method and the optimality of the multilevel method. The solution process is accelerated by employing level dependent objective functions, minimization of which provides correction to the original/fine-level problem. In the context of the phase-field fracture approach, it is challenging to design efficient level dependent objective functions as the underlying mathematical model relies on the mesh dependent parameters. We introduce level dependent objective functions that combine fine level description of the crack path with the coarse level discretization. The overall performance and the convergence properties of the proposed RMTR method are investigated by means of several numerical examples in three dimensions.