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Alberto F. Martín

Publications and source records attributed to Alberto F. Martín.

At least 19 recordsLinked to original sources

GridapGeosciences.jl: A Julia finite element package for partial differential equations on general manifolds

We present GridapGeosciences$.$jl, a new parallel distributed-memory Julia package for the numerical approximation of partial differential equations on general manifolds. Our abstract approach to generating discrete manifold domains relies on mesh refinement in general, and is implemented within the Gridap finite element library, whose high-level interface enables seamless definition of both intrinsic and extrinsic variational formulations. GridapGeosciences$.$jl features the cubed sphere manifold, which is used in this study to showcase the functionality of GridapGeosciences$.$jl in different applications. The first application involves scalar transport where we develop intrinsic formulations of common stabilisation terms, which are shown to be equivalent to well-known extrinsic stabilisation formalisations. Such stabilisation terms are used to develop an intrinsic formulation of the two-dimensional thermal shallow water equations that includes upwinded numerical fluxes. The final application is a linearisation of the Boussinesq equations where we demonstrate the capacity of GridapGeosciences$.$jl to capture both surface and vertical dynamics on a three-dimensional manifold.

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An intrinsic finite element framework for scalar- and vector-valued partial differential equations on general manifolds

We present an intrinsic finite element framework for the numerical approximation of scalar- and vector-valued partial differential equations on general manifolds described by atlases of charts. Weak formulations and their discretisation are expressed exclusively in the flat parametric space of the manifold, where the exact geometry enters only through the metric tensor that is evaluated at quadrature points. Conforming finite element spaces of arbitrary order for the whole de Rham complex are obtained on multi-chart atlases through purely topological inter-chart gluing. We develop a nodal change of basis construction for vector-valued spaces on multi-chart atlases, where nodal degrees of freedom couple charts with incompatible coordinate systems through transmission maps. Inter-chart continuity holds at the nodes with jumps of the order of the approximation error, and the resulting discrete field is exactly tangent to the manifold. Optimal convergence rates for this method are observed numerically for the surface Stokes problem; no a priori error analysis is provided. Numerical experiments on the cubed sphere manifold in two and three dimensions for the Hodge Laplacian problems demonstrate the intrinsic framework is free of the geometric consistency errors for a sufficient quadrature degree, and that intrinsic assembly is substantially cheaper than its extrinsic counterpart. Further considering the rotating shallow water equations that include orography as a perturbation of the geometry demonstrates that mass is conserved exactly, and energy is conserved up to the time discretisation error.

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Divergence-free unfitted finite element discretisations for the Darcy problem

We develop an unfitted compatible finite element discretisation for the Darcy problem based on $H(\mathrm{div})$-conforming flux spaces and discontinuous pressure spaces. The method is designed to preserve pointwise discrete mass conservation while remaining robust in the presence of arbitrarily small cut cells arising from unfitted meshes. Robustness is achieved by combining an $L^2$-stabilisation of the flux with an additional mixed-term stabilisation that enhances pressure control without destroying the local conservation structure. We consider both cell-wise (bulk) and face-based ghost-penalty realisations of the stabilisation. Mixed boundary conditions are handled by weak imposition of both flux and pressure traces on unfitted boundaries. We prove stability and a priori error estimates with constants independent of the cut configuration, and establish pressure-robust flux error bounds in the case of pure pressure boundary conditions. We also introduce an augmented Lagrangian variant that improves control of the conservation constraint and is amenable to efficient preconditioning strategies. Numerical experiments for a range of cut configurations, boundary-condition regimes and parameter choices confirm the theoretical results, demonstrating optimal convergence, cut-independent conditioning and mass conservation up to solver tolerance.

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Unfitted finite element interpolated neural networks

We present a novel approach that integrates unfitted finite element methods and neural networks to approximate partial differential equations on complex geometries. Easy-to-generate background meshes (e.g., a simple Cartesian mesh) that cut the domain boundary (i.e., they do not conform to it) are used to build suitable trial and test finite element spaces. The method seeks a neural network that, when interpolated onto the trial space, minimises a discrete norm of the weak residual functional on the test space associated to the equation. As with unfitted finite elements, essential boundary conditions are weakly imposed by Nitsche's method. The method is robust to variations in Nitsche coefficient values, and to small cut cells. We experimentally demonstrate the method's effectiveness in solving both forward and inverse problems across various 2D and 3D complex geometries, including those defined by implicit level-set functions and explicit stereolithography meshes. For forward problems with smooth analytical solutions, the trained neural networks achieve several orders of magnitude smaller $H^1$ errors compared to their interpolation counterparts. These interpolations also maintain expected $h$- and $p$-convergence rates. Using the same amount of training points, the method is faster than standard PINNs (on both GPU and CPU architectures) while achieving similar or superior accuracy. Moreover, using a discrete dual norm of the residual (achieved by cut cell stabilisation) remarkably accelerates neural network training and further enhances robustness to the choice of Nitsche coefficient values. The experiments also show the method's high accuracy and reliability in solving inverse problems, even with incomplete observations.

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Compatible finite element interpolated neural networks

We extend the finite element interpolated neural network (FEINN) framework from partial differential equations (PDEs) with weak solutions in $H^1$ to PDEs with weak solutions in $H(\textbf{curl})$ or $H(\textbf{div})$. To this end, we consider interpolation trial spaces that satisfy the de Rham Hilbert subcomplex, providing stable and structure-preserving neural network discretisations for a wide variety of PDEs. This approach, coined compatible FEINNs, has been used to accurately approximate the $H(\textbf{curl})$ inner product. We numerically observe that the trained network outperforms finite element solutions by several orders of magnitude for smooth analytical solutions. Furthermore, to showcase the versatility of the method, we demonstrate that compatible FEINNs achieve high accuracy in solving surface PDEs such as the Darcy equation on a sphere. Additionally, the framework can integrate adaptive mesh refinements to effectively solve problems with localised features. We use an adaptive training strategy to train the network on a sequence of progressively adapted meshes. Finally, we compare compatible FEINNs with the adjoint neural network method for solving inverse problems. We consider a one-loop algorithm that trains the neural networks for unknowns and missing parameters using a loss function that includes PDE residual and data misfit terms. The algorithm is applied to identify space-varying physical parameters for the $H(\textbf{curl})$ model problem from partial or noisy observations. We find that compatible FEINNs achieve accuracy and robustness comparable to, if not exceeding, the adjoint method in these scenarios.

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Adaptive Finite Element Interpolated Neural Networks

The use of neural networks to approximate partial differential equations (PDEs) has gained significant attention in recent years. However, the approximation of PDEs with localised phenomena, e.g., sharp gradients and singularities, remains a challenge, due to ill-defined cost functions in terms of pointwise residual sampling or poor numerical integration. In this work, we introduce $h$-adaptive finite element interpolated neural networks. The method relies on the interpolation of a neural network onto a finite element space that is gradually adapted to the solution during the training process to equidistribute a posteriori error indicator. The use of adaptive interpolation is essential in preserving the non-linear approximation capabilities of the neural networks to effectively tackle problems with localised features. The training relies on a gradient-based optimisation of a loss function based on the (dual) norm of the finite element residual of the interpolated neural network. Automatic mesh adaptation (i.e., refinement and coarsening) is performed based on a posteriori error indicators till a certain level of accuracy is reached. The proposed methodology can be applied to indefinite and nonsymmetric problems. We carry out a detailed numerical analysis of the scheme and prove several a priori error estimates, depending on the expressiveness of the neural network compared to the interpolation mesh. Our numerical experiments confirm the effectiveness of the method in capturing sharp gradients and singularities for forward and inverse PDE problems, both in 2D and 3D scenarios. We also show that the proposed preconditioning strategy (i.e., using a dual residual norm of the residual as a cost function) enhances training robustness and accelerates convergence.

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Helmholtz preconditioning for the compressible Euler equations using mixed finite elements with Lorenz staggering

Implicit solvers for atmospheric models are often accelerated via the solution of a preconditioned system. For block preconditioners this typically involves the factorisation of the (approximate) Jacobian resulting from linearization of the coupled system into a Helmholtz equation for some function of the pressure. Here we present a preconditioner for the compressible Euler equations with a flux form representation of the potential temperature on the Lorenz grid using mixed finite elements. This formulation allows for spatial discretisations that conserve both energy and potential temperature variance. By introducing the dry thermodynamic entropy as an auxiliary variable for the solution of the algebraic system, the resulting preconditioner is shown to have a similar block structure to an existing preconditioner for the material form transport of potential temperature on the Charney-Phillips grid. This new formulation is also shown to be more efficient and stable than both the material form transport of potential temperature on the Charney-Phillips grid, and a previous Helmholtz preconditioner for the flux form transport of density weighted potential temperature on the Lorenz grid for a 1D thermal bubble configuration. The new preconditioner is further verified against standard two dimensional test cases in a vertical slice geometry.

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A comparison of variational upwinding schemes for geophysical fluids, and their application to potential enstrophy conserving discretisations

Methods for upwinding the potential vorticity in a compatible finite element discretisation of the rotating shallow water equations are studied. These include the well-known anticipated potential vorticity method (APVM), streamwise upwind Petrov-Galerkin (SUPG) method, and a recent approach where the trial functions are evaluated downstream within the reference element. In all cases the upwinding scheme conserves both potential vorticity and energy, since the antisymmetric structure of the equations is preserved. The APVM leads to a symmetric definite correction to the potential enstrophy that is dissipative and inconsistent, resulting in a turbulent state where the potential enstrophy is more strongly damped than for the other schemes. While the SUPG scheme is widely known to be consistent, since it modifies the test functions only, the downwinded trial function formulation results in the advection of downwind corrections. Results of the SUPG and downwinded trial function schemes are very similar in terms of both potential enstrophy conservation and turbulent spectra. The main difference between these schemes is in the energy conservation and residual errors. If just two nonlinear iterations are applied then the energy conservation errors are improved for the downwinded trial function formulation, reflecting a smaller residual error than for the SUPG scheme. We also present formulations by which potential enstrophy is exactly integrated at each time level. Results using these formulations are observed to be stable in the absence of dissipation, despite the uncontrolled aliasing of grid scale turbulence. Using such a formulation and the APVM with a coefficient $\mathcal{O}(100)$ times smaller that its regular value leads to turbulent spectra that are greatly improved at the grid scale over the SUPG and downwinded trial function formulations with unstable potential enstrophy errors.

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Robust finite element methods and solvers for the Biot--Brinkman equations in vorticity form

In this paper, we propose a new formulation and a suitable finite element method for the steady coupling of viscous flow in deformable porous media using divergence-conforming filtration fluxes. The proposed method is based on the use of parameter-weighted spaces, which allows for a more accurate and robust analysis of the continuous and discrete problems. Furthermore, we conduct a solvability analysis of the proposed method and derive optimal error estimates in appropriate norms. These error estimates are shown to be robust in the case of large Lamé parameters and small permeability and storativity coefficients. To illustrate the effectiveness of the proposed method, we provide a few representative numerical examples, including convergence verification, poroelastic channel flow simulation, and test the robustness of block-diagonal preconditioners with respect to model parameters.

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Finite element interpolated neural networks for solving forward and inverse problems

We propose a general framework for solving forward and inverse problems constrained by partial differential equations, where we interpolate neural networks onto finite element spaces to represent the (partial) unknowns. The framework overcomes the challenges related to the imposition of boundary conditions, the choice of collocation points in physics-informed neural networks, and the integration of variational physics-informed neural networks. A numerical experiment set confirms the framework's capability of handling various forward and inverse problems. In particular, the trained neural network generalises well for smooth problems, beating finite element solutions by some orders of magnitude. We finally propose an effective one-loop solver with an initial data fitting step (to obtain a cheap initialisation) to solve inverse problems.

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A robust and scalable unfitted adaptive finite element framework for nonlinear solid mechanics

In this work, we bridge standard adaptive mesh refinement and coarsening on scalable octree background meshes and robust unfitted finite element formulations for the automatic and efficient solution of large-scale nonlinear solid mechanics problems posed on complex geometries, as an alternative to standard body-fitted formulations, unstructured mesh generation and graph partitioning strategies. We pay special attention to those aspects requiring a specialized treatment in the extension of the unfitted h-adaptive aggregated finite element method on parallel tree-based adaptive meshes, recently developed for linear scalar elliptic problems, to handle nonlinear problems in solid mechanics. In order to accurately and efficiently capture localized phenomena that frequently occur in nonlinear solid mechanics problems, we perform pseudo time-stepping in combination with h-adaptive dynamic mesh refinement and rebalancing driven by a-posteriori error estimators. The method is implemented considering both irreducible and mixed (u/p) formulations and thus it is able to robustly face problems involving incompressible materials. In the numerical experiments, both formulations are used to model the inelastic behavior of a wide range of compressible and incompressible materials. First, a selected set of benchmarks are reproduced as a verification step. Second, a set of experiments is presented with problems involving complex geometries. Among them, we model a cantilever beam problem with spherical hollows distributed in a Simple Cubic array. This test involves a discrete domain with up to 11.7M Degrees Of Freedom solved in less than two hours on 3072 cores of a parallel supercomputer.

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The aggregated unfitted finite element method on parallel tree-based adaptive meshes

In this work, we present an adaptive unfitted finite element scheme that combines the aggregated finite element method with parallel adaptive mesh refinement. We introduce a novel scalable distributed-memory implementation of the resulting scheme on locally-adapted Cartesian forest-of-trees meshes. We propose a two-step algorithm to construct the finite element space at hand by means of a discrete extension operator that carefully mixes aggregation constraints of problematic degrees of freedom, which get rid of the small cut cell problem, and standard hanging degree of freedom constraints, which ensure trace continuity on non-conforming meshes. Following this approach, we derive a finite element space that can be expressed as the original one plus well-defined linear constraints. Moreover, it requires minimum parallelization effort, using standard functionality available in existing large-scale finite element codes. Numerical experiments demonstrate its optimal mesh adaptation capability, robustness to cut location and parallel efficiency, on classical Poisson $hp$-adaptivity benchmarks. Our work opens the path to functional and geometrical error-driven dynamic mesh adaptation with the aggregated finite element method in large-scale realistic scenarios. Likewise, it can offer guidance for bridging other scalable unfitted methods and parallel adaptive mesh refinement.

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A generic finite element framework on parallel tree-based adaptive meshes

In this work we formally derive and prove the correctness of the algorithms and data structures in a parallel, distributed-memory, generic finite element framework that supports h-adaptivity on computational domains represented as forest-of-trees. The framework is grounded on a rich representation of the adaptive mesh suitable for generic finite elements that is built on top of a low-level, light-weight forest-of-trees data structure handled by a specialized, highly parallel adaptive meshing engine, for which we have identified the requirements it must fulfill to be coupled into our framework. Atop this two-layered mesh representation, we build the rest of data structures required for the numerical integration and assembly of the discrete system of linear equations. We consider algorithms that are suitable for both subassembled and fully-assembled distributed data layouts of linear system matrices. The proposed framework has been implemented within the FEMPAR scientific software library, using p4est as a practical forest-of-octrees demonstrator. A strong scaling study of this implementation when applied to Poisson and Maxwell problems reveals remarkable scalability up to 32.2K CPU cores and 482.2M degrees of freedom. Besides, a comparative performance study of FEMPAR and the state-of-the-art deal.ii finite element software shows at least comparative performance, and at most factor 2-3 improvements in the h-adaptive approximation of a Poisson problem with first- and second-order Lagrangian finite elements, respectively.

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Balancing domain decomposition by constraints associated with subobjects

A simple variant of the BDDC preconditioner in which constraints are imposed on a selected set of subobjects (subdomain subedges, subfaces and vertices between pairs of subedges) is presented. We are able to show that the condition number of the preconditioner is bounded by $C \big(1+\log (L/h)\big)^2$, where $C$ is a constant, and $h$ and $L$ are the characteristic sizes of the mesh and the subobjects, respectively. As $L$ can be chosen almost freely, the condition number can theoretically be as small as $O(1)$. We will discuss the pros and cons of the preconditioner and its application to heterogeneous problems. Numerical results on supercomputers are provided.

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Numerical modelling of heat transfer and experimental validation in Powder-Bed Fusion with the Virtual Domain Approximation

Among metal additive manufacturing technologies, powder-bed fusion features very thin layers and rapid solidification rates, leading to long build jobs and a highly localized process. Many efforts are being devoted to accelerate simulation times for practical industrial applications. The new approach suggested here, the virtual domain approximation, is a physics-based rationale for spatial reduction of the domain in the thermal finite-element analysis at the part scale. Computational experiments address, among others, validation against a large physical experiment of 17.5 $\mathrm{[cm^3]}$ of deposited volume in 647 layers. For fast and automatic parameter estimation at such level of complexity, a high-performance computing framework is employed. It couples FEMPAR-AM, a specialized parallel finite-element software, with Dakota, for the parametric exploration. Compared to previous state-of-the-art, this formulation provides higher accuracy at the same computational cost. This sets the path to a fully virtualized model, considering an upwards-moving domain covering the last printed layers.

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Distributed-memory parallelization of the aggregated unfitted finite element method

The aggregated unfitted finite element method (AgFEM) is a methodology recently introduced in order to address conditioning and stability problems associated with embedded, unfitted, or extended finite element methods. The method is based on removal of basis functions associated with badly cut cells by introducing carefully designed constraints, which results in well-posed systems of linear algebraic equations, while preserving the optimal approximation order of the underlying finite element spaces. The specific goal of this work is to present the implementation and performance of the method on distributed-memory platforms aiming at the efficient solution of large-scale problems. In particular, we show that, by considering AgFEM, the resulting systems of linear algebraic equations can be effectively solved using standard algebraic multigrid preconditioners. This is in contrast with previous works that consider highly customized preconditioners in order to allow one the usage of iterative solvers in combination with unfitted techniques. Another novelty with respect to the methods available in the literature is the problem sizes that can be handled with the proposed approach. While most of previous references discussing linear solvers for unfitted methods are based on serial non-scalable algorithms, we propose a parallel distributed-memory method able to efficiently solve problems at large scales. This is demonstrated by means of a weak scaling test defined on complex 3D domains up to 300M degrees of freedom and one billion cells on 16K CPU cores in the Marenostrum-IV platform. The parallel implementation of the AgFEM method is available in the large-scale finite element package FEMPAR.

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A tutorial-driven introduction to the parallel finite element library FEMPAR v1.0.0

This work is a user guide to the FEMPAR scientific software library. FEMPAR is an open-source object-oriented framework for the simulation of partial differential equations (PDEs) using finite element methods on distributed-memory platforms. It provides a rich set of tools for numerical discretization and built-in scalable solvers for the resulting linear systems of equations. An application expert that wants to simulate a PDE-governed problem has to extend the framework with a description of the weak form of the PDE at hand (and additional perturbation terms for non-conforming approximations). We show how to use the library by going through three different tutorials. The first tutorial simulates a linear PDE (Poisson equation) in a serial environment for a structured mesh using both continuous and discontinuous Galerkin finite element methods. The second tutorial extends it with adaptive mesh refinement on octree meshes. The third tutorial is a distributed-memory version of the previous one that combines a scalable octree handler and a scalable domain decomposition solver. The exposition is restricted to linear PDEs and simple geometries to keep it concise. The interested user can dive into more tutorials available in the FEMPAR public repository to learn about further capabilities of the library, e.g., nonlinear PDEs and nonlinear solvers, time integration, multi-field PDEs, block preconditioning, or unstructured mesh handling.

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Scalable solvers for complex electromagnetics problems

In this work, we present scalable balancing domain decomposition by constraints methods for linear systems arising from arbitrary order edge finite element discretizations of multi-material and heterogeneous 3D problems. In order to enforce the continuity across subdomains of the method, we use a partition of the interface objects (edges and faces) into sub-objects determined by the variation of the physical coefficients of the problem. For multi-material problems, a constant coefficient condition is enough to define this sub-partition of the objects. For arbitrarily heterogeneous problems, a relaxed version of the method is defined, where we only require that the maximal contrast of the physical coefficient in each object is smaller than a predefined threshold. Besides, the addition of perturbation terms to the preconditioner is empirically shown to be effective in order to deal with the case where the two coefficients of the model problem jump simultaneously across the interface. The new method, in contrast to existing approaches for problems in curl-conforming spaces does not require spectral information whilst providing robustness with regard to coefficient jumps and heterogeneous materials. A detailed set of numerical experiments, which includes the application of the preconditioner to 3D realistic cases, shows excellent weak scalability properties of the implementation of the proposed algorithms.

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