The proximal Galerkin finite element method is a high-order, low iteration complexity, nonlinear numerical method that preserves the geometric and algebraic structure of bound constraints in infinite-dimensional function spaces. This paper introduces the proximal Galerkin method and applies it to solve free boundary problems, enforce discrete maximum principles, and develop scalable, mesh-independent algorithms for optimal design. The paper leads to a derivation of the latent variable proximal point (LVPP) algorithm: an unconditionally stable alternative to the interior point method. LVPP is an infinite-dimensional optimization algorithm that may be viewed as having an adaptive barrier function that is updated with a new informative prior at each (outer loop) optimization iteration. One of the main benefits of this algorithm is witnessed when analyzing the classical obstacle problem. Therein, we find that the original variational inequality can be replaced by a sequence of semilinear partial differential equations (PDEs) that are readily discretized and solved with, e.g., high-order finite elements. Throughout this work, we arrive at several unexpected contributions that may be of independent interest. These include (1) a semilinear PDE we refer to as the entropic Poisson equation; (2) an algebraic/geometric connection between high-order positivity-preserving discretizations and certain infinite-dimensional Lie groups; and (3) a gradient-based, bound-preserving algorithm for two-field density-based topology optimization. The complete latent variable proximal Galerkin methodology combines ideas from nonlinear programming, functional analysis, tropical algebra, and differential geometry and can potentially lead to new synergies among these areas as well as within variational and numerical analysis.
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The topic of inverse problems, related to Maxwell's equations, in the presence of nonlinear materials is quite new in literature. The lack of contributions in this area can be ascribed to the significant challenges that such problems pose. Retrieving the spatial behaviour of some unknown physical property, starting from boundary measurements, is a nonlinear and highly ill-posed problem even in the presence of linear materials. And the complexity exponentially grows when the focus is on nonlinear material properties. Recently, the Monotonicity Principle has been extended to nonlinear materials under very general assumptions. Starting from the theoretical background given by this extension, we develop a first real-time inversion method for the inverse obstacle problem in the presence of nonlinear materials. The Monotonicity Principle is the foundation of a class of non-iterative algorithms for tomography of linear materials. It has been successfully applied to various problems, governed by different PDEs. In the linear case, MP based inversion methods ensure excellent performances and compatibility with real-time applications. We focus on problems governed by elliptical PDEs and, as an example of application, we treat the Magnetostatic Permeability Tomography problem, in which the aim is to retrieve the spatial behaviour of magnetic permeability through boundary measurements in DC operations. In this paper, we provide some preliminary results giving the foundation of our method and extended numerical examples.
This paper investigates an efficient exponential integrator generalized multiscale finite element method for solving a class of time-evolving partial differential equations in bounded domains. The proposed method first performs the spatial discretization of the model problem using constraint energy minimizing generalized multiscale finite element method (CEM-GMsFEM). This approach consists of two stages. First, the auxiliary space is constructed by solving local spectral problems, where the basis functions corresponding to small eigenvalues are captured. The multiscale basis functions are obtained in the second stage using the auxiliary space by solving local energy minimization problems over the oversampling domains. The basis functions have exponential decay outside the corresponding local oversampling regions. We shall consider the first and second-order explicit exponential Runge-Kutta approach for temporal discretization and to build a fully discrete numerical solution. The exponential integration strategy for the time variable allows us to take full advantage of the CEM-GMsFEM as it enables larger time steps due to its stability properties. We derive the error estimates in the energy norm under the regularity assumption. Finally, we will provide some numerical experiments to sustain the efficiency of the proposed method.
Finding the optimal design of experiments in the Bayesian setting typically requires estimation and optimization of the expected information gain functional. This functional consists of one outer and one inner integral, separated by the logarithm function applied to the inner integral. When the mathematical model of the experiment contains uncertainty about the parameters of interest and nuisance uncertainty, (i.e., uncertainty about parameters that affect the model but are not themselves of interest to the experimenter), two inner integrals must be estimated. Thus, the already considerable computational effort required to determine good approximations of the expected information gain is increased further. The Laplace approximation has been applied successfully in the context of experimental design in various ways, and we propose two novel estimators featuring the Laplace approximation to alleviate the computational burden of both inner integrals considerably. The first estimator applies Laplace's method followed by a Laplace approximation, introducing a bias. The second estimator uses two Laplace approximations as importance sampling measures for Monte Carlo approximations of the inner integrals. Both estimators use Monte Carlo approximation for the remaining outer integral estimation. We provide three numerical examples demonstrating the applicability and effectiveness of our proposed estimators.
B-series and generalizations are a powerful tool for the analysis of numerical integrators. An extension named exotic aromatic B-series was introduced to study the order conditions for sampling the invariant measure of ergodic SDEs. Introducing a new symmetry normalization coefficient, we analyze the algebraic structures related to exotic B-series and S-series. Precisely, we prove the relationship between the Grossman-Larson algebras over exotic and grafted forests and the corresponding duals to the Connes-Kreimer coalgebras and use it to study the natural composition laws on exotic S-series. Applying this algebraic framework to the derivation of order conditions for a class of stochastic Runge-Kutta methods, we present a multiplicative property that ensures some order conditions to be satisfied automatically.
Engineers are often faced with the decision to select the most appropriate model for simulating the behavior of engineered systems, among a candidate set of models. Experimental monitoring data can generate significant value by supporting engineers toward such decisions. Such data can be leveraged within a Bayesian model updating process, enabling the uncertainty-aware calibration of any candidate model. The model selection task can subsequently be cast into a problem of decision-making under uncertainty, where one seeks to select the model that yields an optimal balance between the reward associated with model precision, in terms of recovering target Quantities of Interest (QoI), and the cost of each model, in terms of complexity and compute time. In this work, we examine the model selection task by means of Bayesian decision theory, under the prism of availability of models of various refinements, and thus varying levels of fidelity. In doing so, we offer an exemplary application of this framework on the IMAC-MVUQ Round-Robin Challenge. Numerical investigations show various outcomes of model selection depending on the target QoI.
We construct finite element de~Rham complexes of higher and possibly non-uniform polynomial order in finite element exterior calculus (FEEC). Starting from the finite element differential complex of lowest-order, known as the complex of Whitney forms, we incrementally construct the higher-order complexes by adjoining exact local complexes associated to simplices. We define a commuting canonical interpolant. On the one hand, this research provides a base for studying $hp$-adaptive methods in finite element exterior calculus. On the other hand, our construction of higher-order spaces enables a new tool in numerical analysis which we call "partially localized flux reconstruction". One major application of this concept is in the area of equilibrated a~posteriori error estimators: we generalize the Braess-Sch\"oberl error estimator to edge elements of higher and possibly non-uniform order.
The accuracy of solving partial differential equations (PDEs) on coarse grids is greatly affected by the choice of discretization schemes. In this work, we propose to learn time integration schemes based on neural networks which satisfy three distinct sets of mathematical constraints, i.e., unconstrained, semi-constrained with the root condition, and fully-constrained with both root and consistency conditions. We focus on the learning of 3-step linear multistep methods, which we subsequently applied to solve three model PDEs, i.e., the one-dimensional heat equation, the one-dimensional wave equation, and the one-dimensional Burgers' equation. The results show that the prediction error of the learned fully-constrained scheme is close to that of the Runge-Kutta method and Adams-Bashforth method. Compared to the traditional methods, the learned unconstrained and semi-constrained schemes significantly reduce the prediction error on coarse grids. On a grid that is 4 times coarser than the reference grid, the mean square error shows a reduction of up to an order of magnitude for some of the heat equation cases, and a substantial improvement in phase prediction for the wave equation. On a 32 times coarser grid, the mean square error for the Burgers' equation can be reduced by up to 35% to 40%.
Achieving accurate approximations to solutions of large linear systems is crucial, especially when those systems utilize real-world data. A consequence of using real-world data is that there will inevitably be missingness. Current approaches for dealing with missing data, such as deletion and imputation, can introduce bias. Recent studies proposed an adaptation of stochastic gradient descent (SGD) in specific missing-data models. In this work, we propose a new algorithm, $\ell$-tuple mSGD, for the setting in which data is missing in a block-wise, tuple pattern. We prove that our proposed method uses unbiased estimates of the gradient of the least squares objective in the presence of tuple missing data. We also draw connections between $\ell$-tuple mSGD and previously established SGD-type methods for missing data. Furthermore, we prove our algorithm converges when using updating step sizes and empirically demonstrate the convergence of $\ell$-tuple mSGD on synthetic data. Lastly, we evaluate $\ell$-tuple mSGD applied to real-world continuous glucose monitoring (CGM) device data.
We introduce time-ordered multibody interactions to describe complex systems manifesting temporal as well as multibody dependencies. First, we show how the dynamics of multivariate Markov chains can be decomposed in ensembles of time-ordered multibody interactions. Then, we present an algorithm to extract those interactions from data capturing the system-level dynamics of node states and a measure to characterize the complexity of interaction ensembles. Finally, we experimentally validate the robustness of our algorithm against statistical errors and its efficiency at inferring parsimonious interaction ensembles.
We characterize the convergence properties of traditional best-response (BR) algorithms in computing solutions to mixed-integer Nash equilibrium problems (MI-NEPs) that turn into a class of monotone Nash equilibrium problems (NEPs) once relaxed the integer restrictions. We show that the sequence produced by a Jacobi/Gauss-Seidel BR method always approaches a bounded region containing the entire solution set of the MI-NEP, whose tightness depends on the problem data, and it is related to the degree of strong monotonicity of the relaxed NEP. When the underlying algorithm is applied to the relaxed NEP, we establish data-dependent complexity results characterizing its convergence to the unique solution of the NEP. In addition, we derive one of the very few sufficient conditions for the existence of solutions to MI-NEPs. The theoretical results developed bring important practical advantages that are illustrated on a numerical instance of a smart building control application.
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