We investigate the properties of some recently developed variable-order differential operators involving order transition functions of exponential type. Since the characterisation of such operators is performed in the Laplace domain it is necessary to resort to accurate numerical methods to derive the corresponding behaviours in the time domain. In this regard, we develop a computational procedure to solve variable-order fractional differential equations of this novel class. Furthermore, we provide some numerical experiments to show the effectiveness of the proposed techniques.
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We construct a Convolution Quadrature (CQ) scheme for the quasilinear subdiffusion equation and supply it with the fast and oblivious implementation. In particular we find a condition for the CQ to be admissible and discretize the spatial part of the equation with the Finite Element Method. We prove the unconditional stability and convergence of the scheme and find a bound on the error. As a passing result, we also obtain a discrete Gronwall inequality for the CQ, which is a crucial ingredient of our convergence proof based on the energy method. The paper is concluded with numerical examples verifying convergence and computation time reduction when using fast and oblivious quadrature.
Multivariate imputation by chained equations (MICE) is one of the most popular approaches to address missing values in a data set. This approach requires specifying a univariate imputation model for every variable under imputation. The specification of which predictors should be included in these univariate imputation models can be a daunting task. Principal component analysis (PCA) can simplify this process by replacing all of the potential imputation model predictors with a few components summarizing their variance. In this article, we extend the use of PCA with MICE to include a supervised aspect whereby information from the variables under imputation is incorporated into the principal component estimation. We conducted an extensive simulation study to assess the statistical properties of MICE with different versions of supervised dimensionality reduction and we compared them with the use of classical unsupervised PCA as a simpler dimensionality reduction technique.
A new numerical domain decomposition method is proposed for solving elliptic equations on compact Riemannian manifolds. The advantage of this method is to avoid global triangulations or grids on manifolds. Our method is numerically tested on some $4$-dimensional manifolds such as the unit sphere $S^{4}$, the complex projective space $\mathbb{CP}^{2}$ and the product manifold $S^{2} \times S^{2}$.
We propose and analyze an extended Fourier pseudospectral (eFP) method for the spatial discretization of the Gross-Pitaevskii equation (GPE) with low regularity potential by treating the potential in an extended window for its discrete Fourier transform. The proposed eFP method maintains optimal convergence rates with respect to the regularity of the exact solution even if the potential is of low regularity and enjoys similar computational cost as the standard Fourier pseudospectral method, and thus it is both efficient and accurate. Furthermore, similar to the Fourier spectral/pseudospectral methods, the eFP method can be easily coupled with different popular temporal integrators including finite difference methods, time-splitting methods and exponential-type integrators. Numerical results are presented to validate our optimal error estimates and to demonstrate that they are sharp as well as to show its efficiency in practical computations.
A convincing feature of least-squares finite element methods is the built-in a posteriori error estimator for any conforming discretization. In order to generalize this property to discontinuous finite element ansatz functions, this paper introduces a least-squares principle on piecewise Sobolev functions for the solution of the Poisson model problem in 2D with mixed boundary conditions. It allows for fairly general discretizations including standard piecewise polynomial ansatz spaces on triangular and polygonal meshes. The presented scheme enforces the interelement continuity of the piecewise polynomials by additional least-squares residuals. A side condition on the normal jumps of the flux variable requires a vanishing integral mean and enables a natural weighting of the jump in the least-squares functional in terms of the mesh size. This avoids over-penalization with additional regularity assumptions on the exact solution as usually present in the literature on discontinuous LSFEM. The proof of the built-in a posteriori error estimation for the over-penalized scheme is presented as well. All results in this paper are robust with respect to the size of the domain guaranteed by a suitable weighting of the residuals in the least-squares functional. Numerical experiments exhibit optimal convergence rates of the adaptive mesh-refining algorithm for various polynomial degrees.
We investigate the properties of the high-order discontinuous Galerkin spectral element method (DGSEM) with implicit backward-Euler time stepping for the approximation of hyperbolic linear scalar conservation equation in multiple space dimensions. We first prove that the DGSEM scheme in one space dimension preserves a maximum principle for the cell-averaged solution when the time step is large enough. This property however no longer holds in multiple space dimensions and we propose to use the flux-corrected transport limiting [Boris and Book, J. Comput. Phys., 11 (1973)] based on a low-order approximation using graph viscosity to impose a maximum principle on the cell-averaged solution. These results allow to use a linear scaling limiter [Zhang and Shu, J. Comput. Phys., 229 (2010)] in order to impose a maximum principle at nodal values within elements. Then, we investigate the inversion of the linear systems resulting from the time implicit discretization at each time step. We prove that the diagonal blocks are invertible and provide efficient algorithms for their inversion. Numerical experiments in one and two space dimensions are presented to illustrate the conclusions of the present analyses.
Small data learning problems are characterized by a significant discrepancy between the limited amount of response variable observations and the large feature space dimension. In this setting, the common learning tools struggle to identify the features important for the classification task from those that bear no relevant information, and cannot derive an appropriate learning rule which allows to discriminate between different classes. As a potential solution to this problem, here we exploit the idea of reducing and rotating the feature space in a lower-dimensional gauge and propose the Gauge-Optimal Approximate Learning (GOAL) algorithm, which provides an analytically tractable joint solution to the dimension reduction, feature segmentation and classification problems for small data learning problems. We prove that the optimal solution of the GOAL algorithm consists in piecewise-linear functions in the Euclidean space, and that it can be approximated through a monotonically convergent algorithm which presents -- under the assumption of a discrete segmentation of the feature space -- a closed-form solution for each optimization substep and an overall linear iteration cost scaling. The GOAL algorithm has been compared to other state-of-the-art machine learning (ML) tools on both synthetic data and challenging real-world applications from climate science and bioinformatics (i.e., prediction of the El Nino Southern Oscillation and inference of epigenetically-induced gene-activity networks from limited experimental data). The experimental results show that the proposed algorithm outperforms the reported best competitors for these problems both in learning performance and computational cost.
High-dimensional fractional reaction-diffusion equations have numerous applications in the fields of biology, chemistry, and physics, and exhibit a range of rich phenomena. While classical algorithms have an exponential complexity in the spatial dimension, a quantum computer can produce a quantum state that encodes the solution with only polynomial complexity, provided that suitable input access is available. In this work, we investigate efficient quantum algorithms for linear and nonlinear fractional reaction-diffusion equations with periodic boundary conditions. For linear equations, we analyze and compare the complexity of various methods, including the second-order Trotter formula, time-marching method, and truncated Dyson series method. We also present a novel algorithm that combines the linear combination of Hamiltonian simulation technique with the interaction picture formalism, resulting in optimal scaling in the spatial dimension. For nonlinear equations, we employ the Carleman linearization method and propose a block-encoding version that is appropriate for the dense matrices that arise from the spatial discretization of fractional reaction-diffusion equations.
This work presents a comparative study to numerically compute impulse approximate controls for parabolic equations with various boundary conditions. Theoretical controllability results have been recently investigated using a logarithmic convexity estimate at a single time based on a Carleman commutator approach. We propose a numerical algorithm for computing the impulse controls with minimal $L^2$-norms by adapting a penalized Hilbert Uniqueness Method (HUM) combined with a Conjugate Gradient (CG) method. We consider static boundary conditions (Dirichlet and Neumann) and dynamic boundary conditions. Some numerical experiments based on our developed algorithm are given to validate and compare the theoretical impulse controllability results.
Conformal inference is a fundamental and versatile tool that provides distribution-free guarantees for many machine learning tasks. We consider the transductive setting, where decisions are made on a test sample of $m$ new points, giving rise to $m$ conformal $p$-values. {While classical results only concern their marginal distribution, we show that their joint distribution follows a P\'olya urn model, and establish a concentration inequality for their empirical distribution function.} The results hold for arbitrary exchangeable scores, including {\it adaptive} ones that can use the covariates of the test+calibration samples at training stage for increased accuracy. We demonstrate the usefulness of these theoretical results through uniform, in-probability guarantees for two machine learning tasks of current interest: interval prediction for transductive transfer learning and novelty detection based on two-class classification.
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