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We present a novel energy-based numerical analysis of semilinear diffusion-reaction boundary value problems. Based on a suitable variational setting, the proposed computational scheme can be seen as an energy minimisation approach. More specifically, this procedure aims to generate a sequence of numerical approximations, which results from the iterative solution of related (stabilised) linearised discrete problems, and tends to a local minimum of the underlying energy functional. Simultaneously, the finite-dimensional approximation spaces are adaptively refined; this is implemented in terms of a new mesh refinement strategy in the context of finite element discretisations, which again relies on the energy structure of the problem under consideration, and does not involve any a posteriori error indicators. In combination, the resulting adaptive algorithm consists of an iterative linearisation procedure on a sequence of hierarchically refined discrete spaces, which we prove to converge towards a solution of the continuous problem in an appropriate sense. Numerical experiments demonstrate the robustness and reliability of our approach for a series of examples.

We introduce a geometric stencil selection algorithm for Laplacian in 3D that significantly improves octant-based selection considered earlier. The goal of the algorithm is to choose a small subset from a set of irregular points surrounding a given point that admits an accurate numerical differentiation formula. The subset serves as an influence set for the numerical approximation of the Laplacian in meshless finite difference methods using either polynomial or kernel-based techniques. Numerical experiments demonstrate a competitive performance of this method in comparison to the finite element method and to other selection methods for solving the Dirichlet problems for the Poisson equation on several STL models. Discretization nodes for these domains are obtained either by 3D triangulations or from Cartesian grids or Halton quasi-random sequences.

Many applications, such as system identification, classification of time series, direct and inverse problems in partial differential equations, and uncertainty quantification lead to the question of approximation of a non-linear operator between metric spaces $\mathfrak{X}$ and $\mathfrak{Y}$. We study the problem of determining the degree of approximation of a such operators on a compact subset $K_\mathfrak{X}\subset \mathfrak{X}$ using a finite amount of information. If $\mathcal{F}: K_\mathfrak{X}\to K_\mathfrak{Y}$, a well established strategy to approximate $\mathcal{F}(F)$ for some $F\in K_\mathfrak{X}$ is to encode $F$ (respectively, $\mathcal{F}(F)$) in terms of a finite number $d$ (repectively $m$) of real numbers. Together with appropriate reconstruction algorithms (decoders), the problem reduces to the approximation of $m$ functions on a compact subset of a high dimensional Euclidean space $\mathbb{R}^d$, equivalently, the unit sphere $\mathbb{S}^d$ embedded in $\mathbb{R}^{d+1}$. The problem is challenging because $d$, $m$, as well as the complexity of the approximation on $\mathbb{S}^d$ are all large, and it is necessary to estimate the accuracy keeping track of the inter-dependence of all the approximations involved. In this paper, we establish constructive methods to do this efficiently; i.e., with the constants involved in the estimates on the approximation on $\\mathbb{S}^d$ being $\mathcal{O}(d^{1/6})$. We study different smoothness classes for the operators, and also propose a method for approximation of $\mathcal{F}(F)$ using only information in a small neighborhood of $F$, resulting in an effective reduction in the number of parameters involved. To further mitigate the problem of large number of parameters, we propose prefabricated networks, resulting in a substantially smaller number of effective parameters.

Determining whether saddle points exist or are approximable for nonconvex-nonconcave problems is usually intractable. We take a step towards understanding certain nonconvex-nonconcave minimax problems that do remain tractable. Specifically, we study minimax problems cast in geodesic metric spaces, which provide a vast generalization of the usual convex-concave saddle point problems. The first main result of the paper is a geodesic metric space version of Sion's minimax theorem; we believe our proof is novel and transparent, as it relies on Helly's theorem only. In our second main result, we specialize to geodesically complete Riemannian manifolds: we devise and analyze the complexity of first-order methods for smooth minimax problems.

We propose an efficient numerical method for computing natural gradient descent directions with respect to a generic metric in the state space. Our technique relies on representing the natural gradient direction as a solution to a standard least-squares problem. Hence, instead of calculating, storing, or inverting the information matrix directly, we apply efficient methods from numerical linear algebra to solve this least-squares problem. We treat both scenarios where the derivative of the state variable with respect to the parameter is either explicitly known or implicitly given through constraints. We apply the QR decomposition to solve the least-squares problem in the former case and utilize the adjoint-state method to compute the natural gradient descent direction in the latter case. As a result, we can reliably compute several natural gradient descents, including the Wasserstein natural gradient, for a large-scale parameter space with thousands of dimensions, which was believed to be out of reach. Finally, our numerical results shed light on the qualitative differences among the standard gradient descent method and various natural gradient descent methods based on different metric spaces in large-scale nonconvex optimization problems.

We present symbolic and numerical methods for computing Poisson brackets on the spaces of measures with positive densities of the plane, the 2-torus, and the 2-sphere. We apply our methods to compute symplectic areas of finite regions for the case of the 2-sphere, including an explicit example for Gaussian measures with positive densities.

Multi-material problems often exhibit complex geometries along with physical responses presenting large spatial gradients or discontinuities. In these cases, providing high-quality body-fitted finite element analysis meshes and obtaining accurate solutions remain challenging. Immersed boundary techniques provide elegant solutions for such problems. Enrichment methods alleviate the need for generating conforming analysis grids by capturing discontinuities within mesh elements. Additionally, increased accuracy of physical responses and geometry description can be achieved with higher-order approximation bases. In particular, using B-splines has become popular with the development of IsoGeometric Analysis. In this work, an eXtended IsoGeometric Analysis (XIGA) approach is proposed for multi-material problems. The computational domain geometry is described implicitly by level set functions. A novel generalized Heaviside enrichment strategy is employed to accommodate an arbitrary number of materials without artificially stiffening the physical response. Higher-order B-spline functions are used for both geometry representation and analysis. Boundary and interface conditions are enforced weakly via Nitsche's method, and a new face-oriented ghost stabilization methodology is used to mitigate numerical instabilities arising from small material integration subdomains. Two- and three-dimensional heat transfer and elasticity problems are solved to validate the approach. Numerical studies provide insight into the ability to handle multiple materials considering sharp-edged and curved interfaces, as well as the impact of higher-order bases and stabilization on the solution accuracy and conditioning.

The present paper continues our investigation of an implementation of a least-squares collocation method for higher-index differential-algebraic equations. In earlier papers, we were able to substantiate the choice of basis functions and collocation points for a robust implementation as well as algorithms for the solution of the discrete system. The present paper is devoted to an analytic estimation of condition numbers for different components of an implementation. We present error estimations, which show the sources for the different errors.

We study the well-known problem of translating between two representations of closure systems, namely implicational bases and meet-irreducible elements. Albeit its importance, the problem is open. In this paper, we introduce splits of an implicational base. It is a partitioning operation of the implications which we recursively apply to obtain a binary tree representing a decomposition of the implicational base. We show that this decomposition can be conducted in polynomial time and space in the size of the input implicational base. Focusing on the case of acyclic splits, we obtain a recursive characterization of the meet-irreducible elements of the associated closure system. We use this characterization and hypergraph dualization to derive new results for the translation problem in acyclic convex geometries.

In latest years, several advancements have been made in symbolic-numerical eigenvalue techniques for solving polynomial systems. In this article, we add to this list. We design an algorithm which solves systems with isolated solutions reliably and efficiently. In overdetermined cases, it reduces the task to an eigenvalue problem in a simpler and considerably faster way than in previous methods, and it can outperform the homotopy continuation approach. We provide many examples and an implementation in the proof-of-concept Julia package EigenvalueSolver.jl.