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Thomas Wick

Publications and source records attributed to Thomas Wick.

At least 19 recordsLinked to original sources

An Improved Adaptive PID Optimizer with Enhanced Convergence and Stability for Deep Learning

Optimization is essential in deep learning. The foundational method upon which most optimizers are built is momentum-based stochastic gradient descent. However, it suffers from two key drawbacks. First, it has noisy and varying gradients, and second, it has an overshoot phenomenon. To address noisy gradients, Adam was proposed, which remains the most widely used adaptive optimizer. To address the overshoot phenomenon, a control-theory-based PID optimizer was proposed. To tackle both the limitations within a single framework, several variants of Adaptive PID (AdaPID) have recently been proposed. Although AdaPID performs well, it still inherits two critical drawbacks from Adam, namely convergence and stability issues. In this work, we address both these limitations. To fix the convergence issue, we uniquely integrate the idea of using a non-increasing effective learning rate into AdaPID (originally proposed in AMSGrad, an extension of Adam). To fix the stability issue, we innovatively integrate a gradient difference based modulation factor into AdaPID (originally proposed in DiffGrad, another extension of Adam). Combining both these ideas in AdaPID, results in our novel IAdaPID-ADG optimizer. We evaluate our proposed optimizer on multiple datasets, including benchmark datasets (MNIST and CIFAR10) and real-world datasets (IARC and AnnoCerv). The IAdaPID-ADG substantially outperforms all competing optimizers. Additionally, we perform an ablation study on the MNIST dataset to demonstrate the contribution of each added component.

cs.LG

A Locking-free and Loosely Coupled Robin-Robin Scheme for Fluid-Poroelasticity Interaction

We study a fluid-poroelasticity interaction (FPSI) problem coupling the unsteady Stokes equations with the fully dynamic Biot system. A major challenge in such problems is to design partitioned schemes that remain robust in locking-related parameter regimes while preserving the physical interface coupling structure.To address this issue, we introduce two auxiliary variables and reformulate the Biot system as a four-field problem consisting of a dynamic Stokes-like system coupled with a diffusion equation. Crucially, this reformulation preserves the original interface conditions. Based on Robin-Robin transmission conditions with explicitly lagged interface data, we construct a fully decoupled scheme in which the fluid and poroelastic subproblems can be solved independently and in parallel at each time step, without sub-iterations.We prove that the resulting method is unconditionally stable and derive optimal-order error estimates in the $H^1$-norm. The analysis further shows that the scheme is robust with respect to extreme poroelastic parameters and avoids the locking effects inherent in standard formulations. Numerical experiments confirm the theoretical convergence results and demonstrate the locking-robust performance of the proposed method.

math.NA

Numerical Analysis of a Cut Finite Element Approach for Fully Eulerian Fluid-Structure Interaction with Fixed Interface

This work develops and analyzes a variational-monolithic unfitted finite element formulation of a linear fluid-structure interaction problem in Eulerian coordinates with a fixed interface. The overall discretization is based on a backward Euler scheme in time and finite elements in space. For the spatial discretization we employ a cut finite element method on a mesh consisting of quadrilateral elements. We use a first-order in time formulation of the elasticity equations, inf-sup stable finite elements in the fluid part and Nitsche's method to incorporate the coupling conditions. Ghost penalty terms guarantee the robustness of the approach independently of the way the interface cuts the finite element mesh. The main objective is to establish stability and a priori error estimates. We prove optimal-order error estimates in space and time and substantiate them with numerical tests.

math.NA

Dual Weighted Residual-driven adaptive mesh refinement to enhance biomechanical simulations

This chapter describes how a posteriori error estimates targeting a user-defined quantity of interest, using the Dual Weighted Residual (DWR) technique, can be easily applied for biomechanical simulations in current engineering practice. The proposed method considers a very general setting that encompasses complex geometries, model non-linearities (hyperelasticity, fluid-structure interaction) and multi-goal oriented techniques. The developments are substantiated with some numerical tests.

math.NA

Accurate Thyroid Cancer Classification using a Novel Binary Pattern Driven Local Discrete Cosine Transform Descriptor

In this study, we develop a new CAD system for accurate thyroid cancer classification with emphasis on feature extraction. Prior studies have shown that thyroid texture is important for segregating the thyroid ultrasound images into different classes. Based upon our experience with breast cancer classification, we first conjuncture that the Discrete Cosine Transform (DCT) is the best descriptor for capturing textural features. Thyroid ultrasound images are particularly challenging as the gland is surrounded by multiple complex anatomical structures leading to variations in tissue density. Hence, we second conjuncture the importance of localization and propose that the Local DCT (LDCT) descriptor captures the textural features best in this context. Another disadvantage of complex anatomy around the thyroid gland is scattering of ultrasound waves resulting in noisy and unclear textures. Hence, we third conjuncture that one image descriptor is not enough to fully capture the textural features and propose the integration of another popular texture capturing descriptor (Improved Local Binary Pattern, ILBP) with LDCT. ILBP is known to be noise resilient as well. We term our novel descriptor as Binary Pattern Driven Local Discrete Cosine Transform (BPD-LDCT). Final classification is carried out using a non-linear SVM. The proposed CAD system is evaluated on the only two publicly available thyroid cancer datasets, namely TDID and AUITD. The evaluation is conducted in two stages. In Stage I, thyroid nodules are categorized as benign or malignant. In Stage II, the malignant cases are further sub-classified into TI-RADS (4) and TI-RADS (5). For Stage I classification, our proposed model demonstrates exceptional performance of nearly 100% on TDID and 97% on AUITD. In Stage II classification, the proposed model again attains excellent classification of close to 100% on TDID and 99% on AUITD.

cs.CV

Multi-goal-oriented anisotropic error control and mesh adaptivity for time-dependent convection-dominated problems

In this work, we present an anisotropic multi-goal error control based on the Dual Weighted Residual (DWR) method for time-dependent convection-diffusion-reaction (CDR) equations. This multi-goal oriented approach allows for an accurate and efficient error control with regard to several quantities of interest simultaneously. Using anisotropic interpolation and restriction operators, we obtain elementwise error indicators in space and time, where the spatial indicators are additionally separated with respect to the single directions. The directional error indicators quantify anisotropy of the solution with respect to the goals, and produce adaptive, anisotropic meshes that efficiently capture layers. To prevent spurious oscillations the streamline upwind Petrov-Galerkin (SUPG) method is applied to stabilize the underlying system in the case of high P\'{e}clet numbers. Numerical examples show efficiency and robustness of the proposed approach for several goal quantities using established benchmarks for convection-dominated transport.

math.NA

Numerical Simulations of Fully Eulerian Fluid-Structure Contact Interaction using a Ghost-Penalty Cut Finite Element Approach

In this work, we develop a cut-based unfitted finite element formulation for solving nonlinear, nonstationary fluid-structure interaction with contact in Eulerian coordinates. In the Eulerian description fluid flow modeled by the incompressible Navier-Stokes equations remains in Eulerian coordinates, while elastic solids are transformed from Lagrangian coordinates into the Eulerian system. A monolithic description is adopted. For the spatial discretization, we employ an unfitted finite element method with ghost penalties based on inf-sup stable finite elements. To handle contact, we use a relaxation of the contact condition in combination with a unified Nitsche approach that takes care implicitly of the switch between fluid-structure interaction and contact conditions. The temporal discretization is based on a backward Euler scheme with implicit extensions of solutions at the previous time step. The nonlinear system is solved with a semi-smooth Newton's method with line search. Our formulation, discretization and implementation are substantiated with an elastic falling ball that comes into contact with the bottom boundary, constituting a challenging state-of-the-art benchmark.

math.NA

Coupling deal.II and FROSch: A Sustainable and Accessible (O)RAS Preconditioner

In this work, restricted additive Schwarz (RAS) and optimized restricted additive Schwarz (ORAS) preconditioners from the Trilinos package FROSch (Fast and Robust Overlapping Schwarz) are employed to solve model problems implemented using deal.II (differential equations analysis library). Therefore, a Tpetra-based interface for coupling deal.II and FROSch is implemented. While RAS preconditioners have been available before, ORAS preconditioners have been newly added to FROSch. The FROSch-deal.II interface works for both Lagrange-based and N\'ed\'elec finite elements. Here, as model problems, nonstationary, nonlinear, variational-monolithic fluid-structure interaction and the indefinite time-harmonic Maxwell's equations are considered. Several numerical experiments in two and three spatial dimensions confirm the performance of the preconditioners as well as the FROSch-deal.II interface. In conclusion, the overall software interface is straightforward and easy to use while giving satisfactory solver performances for challenging PDE systems.

math.NA

A thermo-flow-mechanics-fracture model coupling a phase-field interface approach and thermo-fluid-structure interaction

Geothermal energy, a promising renewable source, relies on efficiently utilizing geothermal reservoirs, especially in Enhanced Geothermal Systems (EGS), where fractures in hot rock formations enhance permeability. Understanding fracture behavior, influenced by temperature changes, is crucial for optimizing energy extraction. To address this, we propose a novel high-accuracy phase-field interface model integrating temperature dynamics into a comprehensive hydraulic-mechanical approach, aiming for a thermo-fluid-structure interaction representation. Therein, the key technical development is a four-step algorithm. This consists of computing the fracture width, reconstructing the sharp interface geometry, solving the thermo-fluid-structure interaction (TFSI) problem, and employing a phase-field approach coupled to the temperature and pressure from the TFSI problem. By coupling temperature-hydraulic-mechanical processes with our newly proposed high-accuracy phase-field interface approach, we investigate how temperature impacts fracture width values, which are crucial for permeability in EGS reservoirs. Through this model and three different numerical simulations, we aim to provide an approach to deepen understanding of the complex interplay between temperature, mechanical deformation, and permeability evolution. Therein, we substantiate our formulations and algorithms through mesh convergence results of crack width and total crack volumes for static fractures, and crack lengths in the case of propagating fractures.

math.NA

Optimal control of partial differential equations in PyTorch using automatic differentiation and neural network surrogates

The take-home message of this paper is that solving optimal control problems can be computationally straightforward, provided that differentiable partial differential equation (PDE) solvers are available. Although this might seem to be a strong limitation and the development of differentiable PDE solvers might seem arduous, for many problems this is not the case. In particular, for linear partial differential equations, they are equivalent to a linear equation system. Therefore it is just sufficient to be able to solve linear equation systems in an automatic differentiation-capable library like PyTorch and be able to differentiate through the linear solver. Using open-source libraries, like torch_sparse_solve, we have easy to use differentiable direct solvers (here: KLU) at hand, which makes solving linear PDEs straightforward. For nonlinear PDEs, the approach above might be not sufficient, since we do not have an equivalent linear equation system for the underlying PDE. In this case, we can then use the library torch-fenics, which enables us to define PDEs using the finite element library FEniCS and then differentiate through this problem in PyTorch. We complement the proposed methodology with various optimal control problems constrained by stationary and instationary PDEs, linear and nonlinear PDEs (from Poisson to fluid-structure interaction), space-time and time-stepping formulations, parameter estimation, right-hand side control, initial condition control and boundary condition control, finite difference and finite element discretizations and neural network surrogates. All developments of this work are accompanied with the respective source codes published on GitHub.

math.OC

Generalization capabilities of MeshGraphNets to unseen geometries for fluid dynamics

This works investigates the generalization capabilities of MeshGraphNets (MGN) [Pfaff et al. Learning Mesh-Based Simulation with Graph Networks. ICML 2021] to unseen geometries for fluid dynamics, e.g. predicting the flow around a new obstacle that was not part of the training data. For this purpose, we create a new benchmark dataset for data-driven computational fluid dynamics (CFD) which extends DeepMind's flow around a cylinder dataset by including different shapes and multiple objects. We then use this new dataset to extend the generalization experiments conducted by DeepMind on MGNs by testing how well an MGN can generalize to different shapes. In our numerical tests, we show that MGNs can sometimes generalize well to various shapes by training on a dataset of one obstacle shape and testing on a dataset of another obstacle shape.

cs.LG

Matrix-Free Geometric Multigrid Preconditioning Of Combined Newton-GMRES For Solving Phase-Field Fracture With Local Mesh Refinement

In this work, the matrix-free solution of quasi-static phase-field fracture problems is further investigated. More specifically, we consider a quasi-monolithic formulation in which the irreversibility constraint is imposed with a primal-dual active set method. The resulting nonlinear problem is solved with a line-search assisted Newton method. Therein, the arising linear equation systems are solved with a generalized minimal residual method (GMRES), which is preconditioned with a matrix-free geometric multigrid method including geometric local mesh refinement. Our solver is substantiated with a numerical test on locally refined meshes.

math.NA

Mathematical modeling and numerical multigoal-oriented a posteriori error control and adaptivity for a stationary, nonlinear, coupled flow temperature model with temperature dependent density

In this work, we develop adaptive schemes using goal-oriented error control for a highly nonlinear flow temperature model with temperature dependent density. The dual-weighted residual method for computing error indicators to steer mesh refinement and solver control is employed. The error indicators are used to employ adaptive algorithms, which are substantiated with several numerical tests. Therein, error reductions and effectivity indices are consulted to establish the robustness and efficiency of our framework.

math.NA

A Posteriori Single- and Multi-Goal Error Control and Adaptivity for Partial Differential Equations

This work reviews goal-oriented a posteriori error control, adaptivity and solver control for finite element approximations to boundary and initial-boundary value problems for stationary and non-stationary partial differential equations, respectively. In particular, coupled field problems with different physics may require simultaneously the accurate evaluation of several quantities of interest, which is achieved with multi-goal oriented error control. Sensitivity measures are obtained by solving an adjoint problem. Error localization is achieved with the help of a partition-of-unity. We also review and extend theoretical results for efficiency and reliability by employing a saturation assumption. The resulting adaptive algorithms allow to balance discretization and non-linear iteration errors, and are demonstrated for four applications: Poisson's problem, non-linear elliptic boundary value problems, stationary incompressible Navier-Stokes equations, and regularized parabolic $p$-Laplace initial-boundary value problems. Therein, different finite element discretizations in two different software libraries are utilized, which are partially accompanied with open-source implementations on GitHub.

math.NA

Parameter identification and uncertainty propagation of hydrogel coupled diffusion-deformation using POD-based reduced-order modeling

This study explores reduced-order modeling for analyzing the time-dependent diffusion-deformation of hydrogels. The full-order model describing hydrogel transient behavior consists of a coupled system of partial differential equations in which chemical potential and displacements are coupled. This system is formulated in a monolithic fashion and solved using the finite element method. We employ proper orthogonal decomposition as a model order reduction approach. The reduced-order model performance is tested through a benchmark problem on hydrogel swelling and a case study simulating co-axial printing. Then, we embed the reduced-order model into an optimization loop to efficiently identify the coupled problem's material parameters using full-field data. Finally, a study is conducted on the uncertainty propagation of the material parameter.

cs.CE

A comparative analysis of transient finite-strain coupled diffusion-deformation theories for hydrogels

This work presents a comparative review and classification between some well-known thermodynamically consistent models of hydrogel behavior in a large deformation setting, specifically focusing on solvent absorption/desorption and its impact on mechanical deformation and network swelling. The proposed discussion addresses formulation aspects, general mathematical classification of the governing equations, and numerical implementation issues based on the finite element method. The theories are presented in a unified framework demonstrating that, despite not being evident in some cases, all of them follow equivalent thermodynamic arguments. A detailed numerical analysis is carried out where Taylor-Hood elements are employed in the spatial discretization to satisfy the inf-sup condition and to prevent spurious numerical oscillations. The resulting discrete problems are solved using the FEniCS platform through consistent variational formulations, employing both monolithic and staggered approaches. We conduct benchmark tests on various hydrogel structures, demonstrating that major differences arise from the chosen volumetric response of the hydrogel. The significance of this choice is frequently underestimated in the state-of-the-art literature but has been shown to have substantial implications on the resulting hydrogel behavior.

cs.CE

Modeling and numerical simulation of fully Eulerian fluid-structure interaction using cut finite elements

We present a monolithic finite element formulation for (nonlinear) fluid-structure interaction in Eulerian coordinates. For the discretization we employ an unfitted finite element method based on inf-sup stable finite elements. So-called ghost penalty terms are used to guarantee the robustness of the approach independently of the way the interface cuts the finite element mesh. The resulting system is solved in a monolithic fashion using Newton's method. Our developments are tested on a numerical example with fixed interface.

math.NA

Adaptive space-time model order reduction with dual-weighted residual (MORe DWR) error control for poroelasticity

In this work, the space-time MORe DWR (Model Order Reduction with Dual-Weighted Residual error estimates) framework is extended and further developed for single-phase flow problems in porous media. Specifically, our problem statement is the Biot system which consists of vector-valued displacements (geomechanics) coupled to a Darcy flow pressure equation. The MORe DWR method introduces a goal-oriented adaptive incremental proper orthogonal decomposition (POD) based-reduced-order model (ROM). The error in the reduced goal functional is estimated during the simulation, and the POD basis is enriched on-the-fly if the estimate exceeds a given threshold. This results in a reduction of the total number of full-order-model solves for the simulation of the porous medium, a robust estimation of the quantity of interest and well-suited reduced bases for the problem at hand. We apply a space-time Galerkin discretization with Taylor-Hood elements in space and a discontinuous Galerkin method with piecewise constant functions in time. The latter is well-known to be similar to the backward Euler scheme. We demonstrate the efficiency of our method on the well-known two-dimensional Mandel benchmark and a three-dimensional footing problem.

math.NA