arXiv subjects

Christian Glusa

Publications and source records attributed to Christian Glusa.

At least 19 recordsLinked to original sources

arXiv2026

Trilinos: Enabling Scientific Computing Across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to ``An Overview of the Trilinos project'' by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397-423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This paper also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

cs.MS↗

arXiv2026

Smoothed aggregation algebraic multigrid for problems with heterogeneous and anisotropic materials

This paper introduces a material-aware strength-of-connection measure for smoothed aggregation algebraic multigrid methods, aimed at improving robustness for scalar partial differential equations with heterogeneous and anisotropic material properties. Classical strength-of-connection measures typically rely only on matrix entries or geometric distances, which often fail to capture weak couplings across material interfaces or align with anisotropy directions, ultimately leading to poor convergence. The proposed approach directly incorporates material tensor information into the coarsening process, enabling a reliable detection of weak connections and ensuring that coarse levels preserve the true structure of the underlying problem. As a result, smooth error components are represented properly and sharp coefficient jumps or directional anisotropies are handled consistently. A wide range of academic tests and real-world applications, including thermally activated batteries and solar cells, demonstrate that the proposed method maintains robustness across material contrasts, anisotropies, and mesh variations. Scalability and parallel performance of the algebraic multigrid method highlight the suitability for large-scale, high-performance computing environments.

cs.CE↗

arXiv2025

A structure preserving H-curl algebraic multigrid method for the eddy current equations

A new algebraic multigrid method (AMG) is presented for solving the linear systems associated with the eddy current approximation to the Maxwell equations. This AMG method extends an idea proposed by Reitzinger and Schoberl. The main feature of the Reitzinger and Schoberl algorithm (RSAMG) is that it maintains null-space properties of the Curl-Curl operator throughout all levels of the AMG hierarchy. It does this by enforcing a commuting relationship involving grid transfers and the discrete gradient operator. This null-space preservation property is critical to the algorithm's success, however enforcing this commuting relationship is non-trivial except in the special case where one leverages a piece-wise constant nodal interpolation operator. For this reason, mesh independent convergence rates are generally not observed for RSAMG due to its reliance on sub-optimal piece-wise constant interpolation. We present a new AMG algorithm that enforces the same commuting relationship. The main advance is that the new structure preserving H-curl algorithm (SpHcurlAMG) does not rely on piece-wise constant interpolation and can leverage fairly general and more sophisticated nodal interpolation operators. The key idea is to employ energy minimization AMG (EAMG) to construct edge interpolation grid transfers and to enforce the commuting relationship by embedding it as constraints within an EAMG procedure. While it might appear that solving such a constrained energy minimization is costly, we illustrate how this is not the case in our context. Numerical results are then given demonstrating mesh independent convergence over a range of test problems.

math.NA↗

arXiv2024

ML-based identification of the interface regions for coupling local and nonlocal models

Local-nonlocal coupling approaches combine the computational efficiency of local models and the accuracy of nonlocal models. However, the coupling process is challenging, requiring expertise to identify the interface between local and nonlocal regions. This study introduces a machine learning-based approach to automatically detect the regions in which the local and nonlocal models should be used in a coupling approach. This identification process uses the loading functions and provides as output the selected model at the grid points. Training is based on datasets of loading functions for which reference coupling configurations are computed using accurate coupled solutions, where accuracy is measured in terms of the relative error between the solution to the coupling approach and the solution to the nonlocal model. We study two approaches that differ from one another in terms of the data structure. The first approach, referred to as the full-domain input data approach, inputs the full load vector and outputs a full label vector. In this case, the classification process is carried out globally. The second approach consists of a window-based approach, where loads are preprocessed and partitioned into windows and the problem is formulated as a node-wise classification approach in which the central point of each window is treated individually. The classification problems are solved via deep learning algorithms based on convolutional neural networks. The performance of these approaches is studied on one-dimensional numerical examples using F1-scores and accuracy metrics. In particular, it is shown that the windowing approach provides promising results, achieving an accuracy of 0.96 and an F1-score of 0.97. These results underscore the potential of the approach to automate coupling processes, leading to more accurate and computationally efficient solutions for material science applications.

cs.LG↗

arXiv2024

A Splice Method for Local-to-Nonlocal Coupling of Weak Forms

We propose a method to couple local and nonlocal diffusion models. By inheriting desirable properties such as patch tests, asymptotic compatibility and unintrusiveness from related splice and optimization-based coupling schemes, it enables the use of weak (or variational) formulations, is computationally efficient and straightforward to implement. We prove well-posedness of the coupling scheme and demonstrate its properties and effectiveness in a variety of numerical examples.

math.NA↗

arXiv2023

A scalable domain decomposition method for FEM discretizations of nonlocal equations of integrable and fractional type

Nonlocal models allow for the description of phenomena which cannot be captured by classical partial differential equations. The availability of efficient solvers is one of the main concerns for the use of nonlocal models in real world engineering applications. We present a domain decomposition solver that is inspired by substructuring methods for classical local equations. In numerical experiments involving finite element discretizations of scalar and vectorial nonlocal equations of integrable and fractional type, we observe improvements in solution time of up to 14.6x compared to commonly used solver strategies.

math.NA↗

arXiv2022

Control of fractional diffusion problems via dynamic programming equations

We explore the approximation of feedback control of integro-differential equations containing a fractional Laplacian term. To obtain feedback control for the state variable of this nonlocal equation we use the Hamilton--Jacobi--Bellman equation. It is well-known that this approach suffers from the curse of dimensionality, and to mitigate this problem we couple semi-Lagrangian schemes for the discretization of the dynamic programming principle with the use of Shepard approximation. This coupling enables approximation of high dimensional problems. Numerical convergence toward the solution of the continuous problem is provided together with linear and nonlinear examples. The robustness of the method with respect to disturbances of the system is illustrated by comparisons with an open-loop control approach.

math.OC↗

arXiv2022

An asymptotically compatible coupling formulation for nonlocal interface problems with jumps

We introduce a mathematically rigorous formulation for a nonlocal interface problem with jumps and propose an asymptotically compatible finite element discretization for the weak form of the interface problem. After proving the well-posedness of the weak form, we demonstrate that solutions to the nonlocal interface problem converge to the corresponding local counterpart when the nonlocal data are appropriately prescribed. Several numerical tests in one and two dimensions show the applicability of our technique, its numerical convergence to exact nonlocal solutions, its convergence to the local limit when the horizons vanish, and its robustness with respect to the patch test.

math.NA↗

arXiv2022

Machine-learning of nonlocal kernels for anomalous subsurface transport from breakthrough curves

Anomalous behavior is ubiquitous in subsurface solute transport due to the presence of high degrees of heterogeneity at different scales in the media. Although fractional models have been extensively used to describe the anomalous transport in various subsurface applications, their application is hindered by computational challenges. Simpler nonlocal models characterized by integrable kernels and finite interaction length represent a computationally feasible alternative to fractional models; yet, the informed choice of their kernel functions still remains an open problem. We propose a general data-driven framework for the discovery of optimal kernels on the basis of very small and sparse data sets in the context of anomalous subsurface transport. Using spatially sparse breakthrough curves recovered from fine-scale particle-density simulations, we learn the best coarse-scale nonlocal model using a nonlocal operator regression technique. Predictions of the breakthrough curves obtained using the optimal nonlocal model show good agreement with fine-scale simulation results even at locations and time intervals different from the ones used to train the kernel, confirming the excellent generalization properties of the proposed algorithm. A comparison with trained classical models and with black-box deep neural networks confirms the superiority of the predictive capability of the proposed model.

math.NA↗

arXiv2021

A FETI approach to domain decomposition for meshfree discretizations of nonlocal problems

We propose a domain decomposition method for the efficient simulation of nonlocal problems. Our approach is based on a multi-domain formulation of a nonlocal diffusion problem where the subdomains share "nonlocal" interfaces of the size of the nonlocal horizon. This system of nonlocal equations is first rewritten in terms of minimization of a nonlocal energy, then discretized with a meshfree approximation and finally solved via a Lagrange multiplier approach in a way that resembles the finite element tearing and interconnect method. Specifically, we propose a distributed projected gradient algorithm for the solution of the Lagrange multiplier system, whose unknowns determine the nonlocal interface conditions between subdomains. Several two-dimensional numerical tests illustrate the strong and weak scalability of our algorithm, which outperforms the standard approach to the distributed numerical solution of the problem. This work is the first rigorous numerical study in a two-dimensional multi-domain setting for nonlocal operators with finite horizon and, as such, it is a fundamental step towards increasing the use of nonlocal models in large scale simulations.

math.NA↗

arXiv2021

A fractional model for anomalous diffusion with increased variability. Analysis, algorithms and applications to interface problems

Fractional equations have become the model of choice in several applications where heterogeneities at the microstructure result in anomalous diffusive behavior at the macroscale. In this work we introduce a new fractional operator characterized by a doubly-variable fractional order and possibly truncated interactions. Under certain conditions on the model parameters and on the regularity of the fractional order we show that the corresponding Poisson problem is well-posed. We also introduce a finite element discretization and describe an efficient implementation of the finite-element matrix assembly in the case of piecewise constant fractional order. Through several numerical tests, we illustrate the improved descriptive power of this new operator across media interfaces. Furthermore, we present one-dimensional and two-dimensional $h$-convergence results that show that the variable-order model has the same convergence behavior as the constant-order model.

math.NA↗

arXiv2020

An optimization-based approach to parameter learning for fractional type nonlocal models

Nonlocal operators of fractional type are a popular modeling choice for applications that do not adhere to classical diffusive behavior; however, one major challenge in nonlocal simulations is the selection of model parameters. In this work we propose an optimization-based approach to parameter identification for fractional models with an optional truncation radius. We formulate the inference problem as an optimal control problem where the objective is to minimize the discrepancy between observed data and an approximate solution of the model, and the control variables are the fractional order and the truncation length. For the numerical solution of the minimization problem we propose a gradient-based approach, where we enhance the numerical performance by an approximation of the bilinear form of the state equation and its derivative with respect to the fractional order. Several numerical tests in one and two dimensions illustrate the theoretical results and show the robustness and applicability of our method.

math.OC↗

arXiv2020

Asynchronous One-Level and Two-Level Domain Decomposition Solvers

Parallel implementations of linear iterative solvers generally alternate between phases of data exchange and phases of local computation. Increasingly large problem sizes on more heterogeneous systems make load balancing and network layout very challenging tasks. In particular, global communication patterns such as inner products become increasingly limiting at scale. We explore the use of asynchronous communication based on one-sided MPI primitives in a multitude of domain decomposition solvers. In particular, a scalable asynchronous two-level method is presented. We discuss practical issues encountered in the development of a scalable solver and show experimental results obtained on state-of-the-art supercomputer systems that illustrate the benefits of asynchronous solvers in load balanced as well as load imbalanced scenarios. Using the novel method, we can observe speed-ups of up to 4x over its classical synchronous equivalent.

math.NA↗

arXiv2020

Optimal control of a parabolic fractional PDE: analysis and discretization

We consider the integral definition of the fractional Laplacian and analyze a linear-quadratic optimal control problem for the so-called fractional heat equation; control constraints are also considered. We derive existence and uniqueness results, first order optimality conditions, and regularity estimates for the optimal variables. To discretize the state equation equation we propose a fully discrete scheme that relies on an implicit finite difference discretization in time combined with a piecewise linear finite element discretization in space. We derive stability results and a novel $L^2(0,T;L^2(Ω))$ a priori error estimate. On the basis of the aforementioned solution technique, we propose a fully discrete scheme for our optimal control problem that discretizes the control variable with piecewise constant functions and derive a priori error estimates for it. We illustrate the theory with one- and two-dimensional numerical experiments.

math.OC↗

arXiv2020

Numerical methods for nonlocal and fractional models

Partial differential equations (PDEs) are used, with huge success, to model phenomena arising across all scientific and engineering disciplines. However, across an equally wide swath, there exist situations in which PDE models fail to adequately model observed phenomena or are not the best available model for that purpose. On the other hand, in many situations, nonlocal models that account for interaction occurring at a distance have been shown to more faithfully and effectively model observed phenomena that involve possible singularities and other anomalies. In this article, we consider a generic nonlocal model, beginning with a short review of its definition, the properties of its solution, its mathematical analysis, and specific concrete examples. We then provide extensive discussions about numerical methods, including finite element, finite difference, and spectral methods, for determining approximate solutions of the nonlocal models considered. In that discussion, we pay particular attention to a special class of nonlocal models that are the most widely studied in the literature, namely those involving fractional derivatives. The article ends with brief considerations of several modeling and algorithmic extensions which serve to show the wide applicability of nonlocal modeling.

math.NA↗

arXiv2019

What Is the Fractional Laplacian?

The fractional Laplacian in R^d has multiple equivalent characterizations. Moreover, in bounded domains, boundary conditions must be incorporated in these characterizations in mathematically distinct ways, and there is currently no consensus in the literature as to which definition of the fractional Laplacian in bounded domains is most appropriate for a given application. The Riesz (or integral) definition, for example, admits a nonlocal boundary condition, where the value of a function u(x) must be prescribed on the entire exterior of the domain in order to compute its fractional Laplacian. In contrast, the spectral definition requires only the standard local boundary condition. These differences, among others, lead us to ask the question: "What is the fractional Laplacian?" We compare several commonly used definitions of the fractional Laplacian (the Riesz, spectral, directional, and horizon-based nonlocal definitions), and we use a joint theoretical and computational approach to examining their different characteristics by studying solutions of related fractional Poisson equations formulated on bounded domains. In this work, we provide new numerical methods as well as a self-contained discussion of state-of-the-art methods for discretizing the fractional Laplacian, and we present new results on the differences in features, regularity, and boundary behaviors of solutions to equations posed with these different definitions. We present stochastic interpretations and demonstrate the equivalence between some recent formulations. Through our efforts, we aim to further engage the research community in open problems and assist practitioners in identifying the most appropriate definition and computational approach to use for their mathematical models in addressing anomalous transport in diverse applications.

math.NA↗

arXiv2018

A priori error estimates for the optimal control of the integral fractional Laplacian

We design and analyze solution techniques for a linear-quadratic optimal control problem involving the integral fractional Laplacian. We derive existence and uniqueness results, first order optimality conditions, and regularity estimates for the optimal variables. We propose two strategies to discretize the fractional optimal control problem: a semidiscrete approach where the control is not discretized - the so-called variational discretization approach - and a fully discrete approach where the control variable is discretized with piecewise constant functions. Both schemes rely on the discretization of the state equation with the finite element space of continuous piecewise polynomials of degree one. We derive a priori error estimates for both solution techniques. We illustrate the theory with two-dimensional numerical tests.

math.OC↗

arXiv2017

Hybrid Finite Element - Spectral Method for the Fractional Laplacian: Approximation Theory and Efficient Solver

A numerical scheme is presented for approximating fractional order Poisson problems in two and three dimensions. The scheme is based on reformulating the original problem posed over $Ω$ on the extruded domain $\mathcal{C}=Ω\times[0,\infty)$ following Caffarelli and Silvestre (2007). The resulting degenerate elliptic integer order PDE is then approximated using a hybrid FEM-spectral scheme. Finite elements are used in the direction parallel to the problem domain $Ω$, and an appropriate spectral method is used in the extruded direction. The spectral part of the scheme requires that we approximate the true eigenvalues of the integer order Laplacian over $Ω$. We derive an a priori error estimate which takes account of the error arising from using an approximation in place of the true eigenvalues. We further present a strategy for choosing approximations of the eigenvalues based on Weyl's law and finite element discretizations of the eigenvalue problem. The system of linear algebraic equations arising from the hybrid FEM-spectral scheme is decomposed into blocks which can be solved effectively using standard iterative solvers such as multigrid and conjugate gradient. Numerical examples in two and three dimensions show that the approach is quasi-optimal in terms of complexity.

math.NA↗