We propose a second order exponential scheme suitable for two-component coupled systems of stiff evolutionary advection--diffusion--reaction equations in two and three space dimensions. It is based on a directional splitting of the involved matrix functions, which allows for a simple yet efficient implementation through the computation of small-sized exponential-like functions and tensor-matrix products. The procedure straightforwardly extends to the case of an arbitrary number of components and to any space dimension. Several numerical examples in 2D and 3D with physically relevant (advective) Schnakenberg, FitzHugh--Nagumo, DIB, and advective Brusselator models clearly show the advantage of the approach against state-of-the-art techniques.
We present accurate and mathematically consistent formulations of a diffuse-interface model for two-phase flow problems involving rapid evaporation. The model addresses challenges including discontinuities in the density field by several orders of magnitude, leading to high velocity and pressure jumps across the liquid-vapor interface, along with dynamically changing interface topologies. To this end, we integrate an incompressible Navier--Stokes solver combined with a conservative level-set formulation and a regularized, i.e., diffuse, representation of discontinuities into a matrix-free adaptive finite element framework. The achievements are three-fold: First, this work proposes mathematically consistent definitions for the level-set transport velocity in the diffuse interface region by extrapolating the velocity from the liquid or gas phase, which exhibit superior prediction accuracy for the evaporated mass and the resulting interface dynamics compared to a local velocity evaluation, especially for highly curved interfaces. Second, we show that accurate prediction of the evaporation-induced pressure jump requires a consistent, namely a reciprocal, density interpolation across the interface, which satisfies local mass conservation. Third, the combination of diffuse interface models for evaporation with standard Stokes-type constitutive relations for viscous flows leads to significant pressure artifacts in the diffuse interface region. To mitigate these, we propose a modification for such constitutive model types. Through selected analytical and numerical examples, the aforementioned properties are validated. The presented model promises new insights in simulation-based prediction of melt-vapor interactions in thermal multiphase flows such as in laser-based powder bed fusion of metals.
We study the relationship between certain Groebner bases for zero dimensional ideals, and the interpolation condition functionals of ideal interpolation. Ideal interpolation is defined by a linear idempotent projector whose kernel is a polynomial ideal. In this paper, we propose the notion of "reverse" complete reduced basis. Based on the notion, we present a fast algorithm to compute the reduced Groebner basis for the kernel of ideal projector under an arbitrary compatible ordering. As an application, we show that knowing the affine variety makes available information concerning the reduced Groebner basis.
We propose a Lawson-time-splitting extended Fourier pseudospectral (LTSeFP) method for the numerical integration of the Gross-Pitaevskii equation with time-dependent potential that is of low regularity in space. For the spatial discretization of low regularity potential, we use an extended Fourier pseudospectral (eFP) method, i.e., we compute the discrete Fourier transform of the low regularity potential in an extended window. For the temporal discretization, to efficiently implement the eFP method for time-dependent low regularity potential, we combine the standard time-splitting method with a Lawson-type exponential integrator to integrate potential and nonlinearity differently. The LTSeFP method is both accurate and efficient: it achieves first-order convergence in time and optimal-order convergence in space in $L^2$-norm under low regularity potential, while the computational cost is comparable to the standard time-splitting Fourier pseudospectral method. Theoretically, we also prove such convergence orders for a large class of spatially low regularity time-dependent potential. Extensive numerical results are reported to confirm the error estimates and to demonstrate the superiority of our method.
The numerical solution of continuum damage mechanics (CDM) problems suffers from convergence-related challenges during the material softening stage, and consequently existing iterative solvers are subject to a trade-off between computational expense and solution accuracy. In this work, we present a novel unified arc-length (UAL) method, and we derive the formulation of the analytical tangent matrix and governing system of equations for both local and non-local gradient damage problems. Unlike existing versions of arc-length solvers that monolithically scale the external force vector, the proposed method treats the latter as an independent variable and determines the position of the system on the equilibrium path based on all the nodal variations of the external force vector. This approach renders the proposed solver substantially more efficient and robust than existing solvers used in CDM problems. We demonstrate the considerable advantages of the proposed algorithm through several benchmark 1D problems with sharp snap-backs and 2D examples under various boundary conditions and loading scenarios. The proposed UAL approach exhibits a superior ability of overcoming critical increments along the equilibrium path. Moreover, in the presented examples, the proposed UAL method is 1-2 orders of magnitude faster than force-controlled arc-length and monolithic Newton-Raphson solvers.
This paper addresses a factorization method for imaging the support of a wave-number-dependent source function from multi-frequency data measured at a finite pair of symmetric receivers in opposite directions. The source function is given by the inverse Fourier transform of a compactly supported time-dependent source whose initial moment or terminal moment for radiating is unknown. Using the multi-frequency far-field data at two opposite observation directions, we provide a computational criterion for characterizing the smallest strip containing the support and perpendicular to the directions. A new parameter is incorporated into the design of test functions for indicating the unknown moment. The data from a finite pair of opposite directions can be used to recover the $\Theta$-convex polygon of the support. Uniqueness in recovering the convex hull of the support is obtained as a by-product of our analysis using all observation directions. Similar results are also discussed with the multi-frequency near-field data from a finite pair of observation positions in three dimensions. We further comment on possible extensions to source functions with two disconnected supports. Extensive numerical tests in both two and three dimensions are implemented to show effectiveness and feasibility of the approach. The theoretical framework explored here should be seen as the frequency-domain analysis for inverse source problems in the time domain.
The hazard function represents one of the main quantities of interest in the analysis of survival data. We propose a general approach for parametrically modelling the dynamics of the hazard function using systems of autonomous ordinary differential equations (ODEs). This modelling approach can be used to provide qualitative and quantitative analyses of the evolution of the hazard function over time. Our proposal capitalises on the extensive literature of ODEs which, in particular, allow for establishing basic rules or laws on the dynamics of the hazard function via the use of autonomous ODEs. We show how to implement the proposed modelling framework in cases where there is an analytic solution to the system of ODEs or where an ODE solver is required to obtain a numerical solution. We focus on the use of a Bayesian modelling approach, but the proposed methodology can also be coupled with maximum likelihood estimation. A simulation study is presented to illustrate the performance of these models and the interplay of sample size and censoring. Two case studies using real data are presented to illustrate the use of the proposed approach and to highlight the interpretability of the corresponding models. We conclude with a discussion on potential extensions of our work and strategies to include covariates into our framework.
We consider nonlinear solvers for the incompressible, steady (or at a fixed time step for unsteady) Navier-Stokes equations in the setting where partial measurement data of the solution is available. The measurement data is incorporated/assimilated into the solution through a nudging term addition to the the Picard iteration that penalized the difference between the coarse mesh interpolants of the true solution and solver solution, analogous to how continuous data assimilation (CDA) is implemented for time dependent PDEs. This was considered in the paper [Li et al. {\it CMAME} 2023], and we extend the methodology by improving the analysis to be in the $L^2$ norm instead of a weighted $H^1$ norm where the weight depended on the coarse mesh width, and to the case of noisy measurement data. For noisy measurement data, we prove that the CDA-Picard method is stable and convergent, up to the size of the noise. Numerical tests illustrate the results, and show that a very good strategy when using noisy data is to use CDA-Picard to generate an initial guess for the classical Newton iteration.
Recent extensive numerical experiments in high scale machine learning have allowed to uncover a quite counterintuitive phase transition, as a function of the ratio between the sample size and the number of parameters in the model. As the number of parameters $p$ approaches the sample size $n$, the generalisation error increases, but surprisingly, it starts decreasing again past the threshold $p=n$. This phenomenon, brought to the theoretical community attention in \cite{belkin2019reconciling}, has been thoroughly investigated lately, more specifically for simpler models than deep neural networks, such as the linear model when the parameter is taken to be the minimum norm solution to the least-squares problem, firstly in the asymptotic regime when $p$ and $n$ tend to infinity, see e.g. \cite{hastie2019surprises}, and recently in the finite dimensional regime and more specifically for linear models \cite{bartlett2020benign}, \cite{tsigler2020benign}, \cite{lecue2022geometrical}. In the present paper, we propose a finite sample analysis of non-linear models of \textit{ridge} type, where we investigate the \textit{overparametrised regime} of the double descent phenomenon for both the \textit{estimation problem} and the \textit{prediction} problem. Our results provide a precise analysis of the distance of the best estimator from the true parameter as well as a generalisation bound which complements recent works of \cite{bartlett2020benign} and \cite{chinot2020benign}. Our analysis is based on tools closely related to the continuous Newton method \cite{neuberger2007continuous} and a refined quantitative analysis of the performance in prediction of the minimum $\ell_2$-norm solution.
Characterizing the solution sets in a problem by closedness under operations is recognized as one of the key aspects of algorithm development, especially in constraint satisfaction. An example from the Boolean satisfiability problem is that the solution set of a Horn conjunctive normal form (CNF) is closed under the minimum operation, and this property implies that minimizing a nonnegative linear function over a Horn CNF can be done in polynomial time. In this paper, we focus on the set of integer points (vectors) in a polyhedron, and study the relation between these sets and closedness under operations from the viewpoint of 2-decomposability. By adding further conditions to the 2-decomposable polyhedra, we show that important classes of sets of integer vectors in polyhedra are characterized by 2-decomposability and closedness under certain operations, and in some classes, by closedness under operations alone. The most prominent result we show is that the set of integer vectors in a unit-two-variable-per-inequality polyhedron can be characterized by closedness under the median and directed discrete midpoint operations, each of these operations was independently considered in constraint satisfaction and discrete convex analysis.
In this paper, we prove convergence for contractive time discretisation schemes for semi-linear stochastic evolution equations with irregular Lipschitz nonlinearities, initial values, and additive or multiplicative Gaussian noise on $2$-smooth Banach spaces $X$. The leading operator $A$ is assumed to generate a strongly continuous semigroup $S$ on $X$, and the focus is on non-parabolic problems. The main result concerns convergence of the uniform strong error $$E_{k}^{\infty} := \Big(\mathbb{E} \sup_{j\in \{0, \ldots, N_k\}} \|U(t_j) - U^j\|_X^p\Big)^{1/p} \to 0\quad (k \to 0),$$ where $p \in [2,\infty)$, $U$ is the mild solution, $U^j$ is obtained from a time discretisation scheme, $k$ is the step size, and $N_k = T/k$ for final time $T>0$. This generalises previous results to a larger class of admissible nonlinearities and noise, as well as rough initial data from the Hilbert space case to more general spaces. We present a proof based on a regularisation argument. Within this scope, we extend previous quantified convergence results for more regular nonlinearity and noise from Hilbert to $2$-smooth Banach spaces. The uniform strong error cannot be estimated in terms of the simpler pointwise strong error $$E_k := \bigg(\sup_{j\in \{0,\ldots,N_k\}}\mathbb{E} \|U(t_j) - U^{j}\|_X^p\bigg)^{1/p},$$ which most of the existing literature is concerned with. Our results are illustrated for a variant of the Schr\"odinger equation, for which previous convergence results were not applicable.