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Sergio Rojas

Publications and source records attributed to Sergio Rojas.

At least 19 recordsLinked to original sources

Neural network approximation in discrete dual norms with adaptive test spaces

In robust variational physics-informed neural networks (RVPINNs), the loss function is formulated in terms of the Riesz representative of the variational residual within a discrete test space. This approach guarantees that the loss function is robust with respect to the true error in the energy norm up to a remainder term that depends on both the neural network approximation and the discrete space configuration. However, in problems with localized singularities, steep gradients, or interface layers, a fixed coarse test space may fail to resolve the continuous Riesz representative of the residual during training. Although this can be avoided by using a sufficiently fine test space from the start, doing so may be computationally inefficient. We therefore propose an adaptive algorithm that enriches the test space only where the error between the discrete and continuous Riesz representatives is pronounced. We establish theoretical adaptive strategies within the RVPINN framework and derive their error bounds. Furthermore, we propose a computable refinement indicator and prove that, under the saturation assumption, it serves as a reliable and efficient error estimator for the non-computable discrepancy between the discrete and continuous Riesz representatives. Finally, we propose a practical adaptive algorithm and demonstrate its effectiveness through numerical experiments on elliptic Dirichlet problems.

math.NA

A Residual Minimization approach for Nonlinear Partial Differential Equations set in Banach spaces

In this work, we propose and analyze a residual-minimization strategy for the numerical solution of nonlinear PDEs posed in Banach spaces. Given a finite-dimensional trial space and a suitably enriched discrete test space (of higher dimension than the trial space), we approximate the solution by minimizing the variational residual in a discrete dual norm. This minimization is equivalent to a nonlinear saddle-point formulation for the discrete solution in the trial space together with a residual representative in the test space. The latter provides a natural a posteriori error estimator, enabling automatic mesh adaptivity. To solve the resulting nonlinear saddle-point problem, we propose a Newton iteration whose linearized saddle-point system is symmetric, thereby guaranteeing solvability at each step. We take the $p$-Laplacian as a model problem and support the theoretical developments with representative numerical experiments, using standard $H^1$-conforming piecewise linear functions for the trial space, and lowest-order Crouzeix--Raviart functions for the test space.

math.NA

A posteriori analysis of neural network approximations

In a general setting, we study a posteriori estimates used in finite element analysis to measure the error between a solution and its approximation. The latter is not necessarily generated by a finite element method. We show that the error is equivalent to the sum of two residuals provided that the underlying variational formulation is well posed. The first contribution is the projection of the residual to a finite-dimensional space and is therefore computable, while the second one can be reliably estimated by a computable upper bound in many practical scenarios. Assuming sufficiently accurate quadrature, our findings can be used to estimate the error of, e.g., neural network outputs. Two important applications can be considered during optimization: first, the estimators are used to monitor the error in each solver step, or, second, the two estimators are included in the loss functional, and therefore provide control over the error. As a model problem, we consider a second-order elliptic partial differential equation and discuss different variational formulations thereof, including several options to include boundary conditions in the estimators. Various numerical experiments are presented to validate our findings.

math.NA

Optimizing Variational Physics-Informed Neural Networks Using Least Squares

Variational Physics-Informed Neural Networks often suffer from poor convergence when using stochastic gradient-descent-based optimizers. By introducing a Least Squares solver for the weights of the last layer of the neural network, we improve the convergence of the loss during training in most practical scenarios. This work analyzes the computational cost of the resulting hybrid Least-Squares/Gradient-Descent optimizer and explains how to implement it efficiently. In particular, we show that a traditional implementation based on backward-mode automatic differentiation leads to a prohibitively expensive algorithm. To remedy this, we propose using either forward-mode automatic differentiation or an ultraweak-type scheme that avoids the differentiation of trial functions in the discrete weak formulation. The proposed alternatives are up to one hundred times faster than the traditional one, recovering a computational cost-per-iteration similar to that of a conventional gradient-descent-based optimizer alone. To support our analysis, we derive computational estimates and conduct numerical experiments in one- and two-dimensional problems.

math.NA

Robust Variational Physics-Informed Neural Networks

We introduce a Robust version of the Variational Physics-Informed Neural Networks method (RVPINNs). As in VPINNs, we define the quadratic loss functional in terms of a Petrov-Galerkin-type variational formulation of the PDE problem: the trial space is a (Deep) Neural Network (DNN) manifold, while the test space is a finite-dimensional vector space. Whereas the VPINN's loss depends upon the selected basis functions of a given test space, herein, we minimize a loss based on the discrete dual norm of the residual. The main advantage of such a loss definition is that it provides a reliable and efficient estimator of the true error in the energy norm under the assumption of the existence of a local Fortin operator. We test the performance and robustness of our algorithm in several advection-diffusion problems. These numerical results perfectly align with our theoretical findings, showing that our estimates are sharp.

math.NA

A study of concurrent multi-frontal solvers for modern massively parallel architectures

Leveraging Trace Theory, we investigate the efficient parallelization of direct solvers for large linear equation systems. Our focus lies on a multi-frontal algorithm, and we present a methodology for achieving near-optimal scheduling on modern massively parallel machines. By employing trace theory with Diekert Graphs and Foata Normal Form, we rigorously validate the effectiveness of our proposed solution. To establish a strong link between the mesh and elimination tree of the multi-frontal solver, we conduct extensive testing on matrices derived from the Finite Element Method (FEM). Furthermore, we assess the performance of computations on both GPU and CPU platforms, employing practical implementation strategies.

math.NA

Minimum-residual a posteriori error estimates for hybridizable discontinuous Galerkin discretizations of the Helmholtz equation

We propose and analyze two a posteriori error indicators for hybridizable discontinuous Galerkin (HDG) discretizations of the Helmholtz equation. These indicators are built to minimize the residual associated with a local superconvergent postprocessing scheme for the primal variable, measured in a dual norm of an enlarged discrete test space. The residual minimization is reformulated into equivalent local saddle-point problems, each yielding a superconvergent postprocessed approximation of the primal variable in the asymptotic regime for sufficiently regular exact solutions and a built-in residual representation with minimal computational effort. Both error indicators are based on frequency-dependent postprocessing schemes and verify reliability and efficiency estimates for a frequency-weighted $H^1$-error for the scalar variable and the $L^2$-error for the flux. We illustrate our theoretical findings through ad-hoc numerical experiments.

math.NA

Adaptive stabilized finite elements via residual minimization onto bubble enrichments

The Adaptive Stabilized Finite Element method (AS-FEM) developed in Calo et. al. combines the idea of the residual minimization method with the inf-sup stability offered by the discontinuous Galerkin (dG) frameworks. As a result, the discretizations deliver stabilized approximations and residual representatives in the dG space that can drive automatic adaptivity. We generalize AS FEM by considering continuous test spaces; thus, we propose a residual minimization method on a stable Continuous Interior Penalty (CIP) formulation that considers a C0-conforming trial FEM space and a test space based on the enrichment of the trial space by bubble functions. In our numerical experiments, the test space choice results in a significant reduction of the total degrees of freedom compared to the dG test spaces of Calo et. al. that converge at the same rate. Moreover, as trial and test spaces are C0-conforming, implementing a full dG data structure is unnecessary, simplifying the method's implementation considerably and making it appealing for industrial applications, see Labanda et. al.

math.NA

An adaptive superconvergent finite element method based on local residual minimization

We introduce an adaptive superconvergent finite element method for a class of mixed formulations to solve partial differential equations involving a diffusion term. It combines a superconvergent postprocessing technique for the primal variable with an adaptive finite element method via residual minimization. Such a residual minimization procedure is performed on a local postprocessing scheme, commonly used in the context of mixed finite element methods. Given the local nature of that approach, the underlying saddle point problems associated with residual minimizations can be solved with minimal computational effort. We propose and study a posteriori error estimators, including the built-in residual representative associated with residual minimization schemes; and an improved estimator which adds, on the one hand, a residual term quantifying the mismatch between discrete fluxes and, on the other hand, the interelement jumps of the postprocessed solution. We present numerical experiments in two dimensions using Brezzi-Douglas-Marini elements as input for our methodology. The experiments perfectly fit our key theoretical findings and suggest that our estimates are sharp.

math.NA

Quasi-optimal $hp$-finite element refinements towards singularities via deep neural network prediction

We show how to construct the deep neural network (DNN) expert to predict quasi-optimal $hp$-refinements for a given computational problem. The main idea is to train the DNN expert during executing the self-adaptive $hp$-finite element method ($hp$-FEM) algorithm and use it later to predict further $hp$ refinements. For the training, we use a two-grid paradigm self-adaptive $hp$-FEM algorithm. It employs the fine mesh to provide the optimal $hp$ refinements for coarse mesh elements. We aim to construct the DNN expert to identify quasi-optimal $hp$ refinements of the coarse mesh elements. During the training phase, we use the direct solver to obtain the solution for the fine mesh to guide the optimal refinements over the coarse mesh element. After training, we turn off the self-adaptive $hp$-FEM algorithm and continue with quasi-optimal refinements as proposed by the DNN expert trained. We test our method on three-dimensional Fichera and two-dimensional L-shaped domain problems. We verify the convergence of the numerical accuracy with respect to the mesh size. We show that the exponential convergence delivered by the self-adaptive $hp$-FEM can be preserved if we continue refinements with a properly trained DNN expert. Thus, in this paper, we show that from the self-adaptive $hp$-FEM it is possible to train the DNN expert the location of the singularities, and continue with the selection of the quasi-optimal $hp$ refinements, preserving the exponential convergence of the method.

math.NA

Complexity of direct and iterative solvers on space-time formulations versus time--marching schemes for h-refined grids towards singularities

We study computational complexity aspects for Finite Element formulations considering hypercubic space--time full and time--marching discretization schemes for $h$--refined grids towards singularities. We perform a relatively comprehensive study of comparing the computational time via time complexities of direct and iterative solvers. We focus on the space-time formulation with refined computational grids and on the corresponding time slabs, namely, computational grids obtained by taking the "cross-sections" of the refined space-time mesh. We compare the computational complexity of the space-time formulation and the corresponding time--marching scheme. Our consideration concerns the computational complexity of the multi-frontal solvers, the iterative solvers, as well as the static condensation. Numerical experiments with Octave confirm our theoretical findings.

math.NA

A study of efficient concurrent integration methods of B-Spline basis functions in IGA-FEM

Based on trace theory, we study efficient methods for concurrent integration of B-spline basis functions in IGA-FEM. We consider several scenarios of parallelization for two standard integration methods; the classical one and sum factorization. We aim to efficiently utilize hybrid memory machines, such as modern clusters, by focusing on the non-obvious layer of the shared memory part of concurrency. We estimate the performance of computations on a GPU and provide a strategy for performing such computations in practical implementations.

math.NA

Projection in negative norms and the regularization of rough linear functionals

In order to construct regularizations of continuous linear functionals acting on Sobolev spaces such as $W_0^{1,q}(Ω)$, where $1<q<\infty$ and $Ω$ is a Lipschitz domain, we propose a projection method in negative Sobolev spaces $W^{-1,p}(Ω)$, $p$ being the conjugate exponent satisfying $p^{-1} + q^{-1} = 1$. Our method is particularly useful when one is dealing with a rough (irregular) functional that is a member of $W^{-1,p}(Ω)$, though not of $L^1(Ω)$, but one strives for a regular approximation in $L^1(Ω)$. We focus on projections onto discrete finite element spaces $G_n$, and consider both discontinuous as well as continuous piecewise-polynomial approximations. While the proposed method aims to compute the best approximation as measured in the negative (dual) norm, for practical reasons, we will employ a computable, discrete dual norm that supremizes over a discrete subspace $V_m$. We show that this idea leads to a fully discrete method given by a mixed problem on $V_m\times G_n$. We propose a discontinuous as well as a continuous lowest-order pair, prove that they are compatible, and therefore obtain quasi-optimally convergent methods. We present numerical experiments that compute finite element approximations to Dirac delta's and line sources. We also present adaptively generate meshes, obtained from an error representation that comes with the method. Finally, we show how the presented projection method can be used to efficiently compute numerical approximations to partial differential equations with rough data.

math.NA

Goal-oriented adaptivity for a conforming residual minimization method in a dual discontinuous Galerkin norm

We propose a goal-oriented mesh-adaptive algorithm for a finite element method stabilized via residual minimization on dual discontinuous-Galerkin norms. By solving a saddle-point problem, this residual minimization delivers a stable continuous approximation to the solution on each mesh instance and a residual projection onto a broken polynomial space, which is a robust error estimator to minimize the discrete energy norm via automatic mesh refinement. In this work, we propose and analyze a goal-oriented adaptive algorithm for this stable residual minimization. We solve the primal and adjoint problems considering the same saddle-point formulation and different right-hand sides. By solving a third stable problem, we obtain two efficient error estimates to guide goal-oriented adaptivity. We illustrate the performance of this goal-oriented adaptive strategy on advection-diffusion-reaction problems.

math.NA

An automatic-adaptivity stabilized finite element method via residual minimization for heterogeneous, anisotropic advection-diffusion-reaction problems

In this paper, we describe a stable finite element formulation for advection-diffusion-reaction problems that allows for robust automatic adaptive strategies to be easily implemented. We consider locally vanishing, heterogeneous, and anisotropic diffusivities, as well as advection-dominated diffusion problems. The general stabilized finite element framework was described and analyzed in arXiv:1907.12605v3 for linear problems in general, and tested for pure advection problems. The method seeks for the discrete solution through a residual minimization process on a proper stable discontinuous Galerkin (dG) dual norm. This technique leads to a saddle-point problem that delivers a stable discrete solution and a robust error estimate that can drive mesh adaptivity. In this work, we demonstrate the efficiency of the method in extreme scenarios, delivering stable solutions. The quality and performance of the solutions are comparable to classical discontinuous Galerkin formulations in the respective discrete space norm on each mesh. Meanwhile, this technique allows us to solve on coarse meshes and adapt the solution to achieve a user-specified solution quality.

math.NA

A nonlinear weak constraint enforcement method for advection-dominated diffusion problems

We devise a stabilized method to weakly enforce bound constraints in the discrete solution of advection-dominated diffusion problems. This method combines a nonlinear penalty formulation with a discontinuous Galerkin-based residual minimization method. We illustrate the efficiency of this scheme for both uniform and adaptive meshes through proper numerical examples.

math.NA

Incompressible flow modeling using an adaptive stabilized finite element method based on residual minimization

We model incompressible flows with an adaptive stabilized finite element method Stokes flows, which solves a discretely stable saddle-point problem to approximate the velocity-pressure pair. Additionally, this saddle-point problem delivers a robust error estimator to guide mesh adaptivity. We analyze the accuracy of different discrete velocity-pressure pairs of continuous finite element spaces, which do not necessarily satisfy the discrete inf-sup condition. We validate the framework's performance with numerical examples.

math.NA

Adaptive stabilized finite elements: Continuation analysis of compaction banding in geomaterials

Under compressive creep, visco-plastic solids experiencing internal mass transfer processes have been recently proposed to accommodate singular cnoidal wave solutions, as material instabilities at the stationary wave limit. These instabilities appear when the loading rate is significantly faster than the capability of the material to diffuse internal perturbations and lead to localized failure features (e.g., cracks and compaction bands). This type of solution, generally found in fluids, has strong nonlinearities and periodic patterns. Due to the singular nature of the solutions, the applicability of the theory is currently limited. Additionally, effective numerical tools require proper regularization to overcome the challenges that singularity induces. We focus on the numerical treatment of the governing equation using a nonlinear approach building on a recent adaptive stabilized finite element method. This method provides a residual representation to drive adaptive mesh refinement, a particularly useful feature for the problem at hand. We compare against analytical and standard finite element solutions to demonstrate the performance of our approach. We then investigate the sensitivity of the diffusivity ratio, main parameter of the problem, and identify multiple possible solutions, with multiple stress peaks. Finally, we show the evolution of the spacing between peaks for all solutions as a function of that parameter.

physics.comp-ph