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The numerical solution of a linear Schr\"odinger equation in the semiclassical regime is very well understood in a torus $\mathbb{T}^d$. A raft of modern computational methods are precise and affordable, while conserving energy and resolving high oscillations very well. This, however, is far from the case with regard to its solution in $\mathbb{R}^d$, a setting more suitable for many applications. In this paper we extend the theory of splitting methods to this end. The main idea is to derive the solution using a spectral method from a combination of solutions of the free Schr\"odinger equation and of linear scalar ordinary differential equations, in a symmetric Zassenhaus splitting method. This necessitates detailed analysis of certain orthonormal spectral bases on the real line and their evolution under the free Schr\"odinger operator.

In this paper, we propose a new trace finite element method for the {Laplace-Beltrami} eigenvalue problem. The method is proposed directly on a smooth manifold which is implicitly given by a level-set function and require high order numerical quadrature on the surface. A comprehensive analysis for the method is provided. We show that the eigenvalues of the discrete Laplace-Beltrami operator coincide with only part of the eigenvalues of an embedded problem, which further corresponds to the finite eigenvalues for a singular generalized algebraic eigenvalue problem. The finite eigenvalues can be efficiently solved by a rank-completing perturbation algorithm in {\it Hochstenbach et al. SIAM J. Matrix Anal. Appl., 2019} \cite{hochstenbach2019solving}. We prove the method has optimal convergence rate. Numerical experiments verify the theoretical analysis and show that the geometric consistency can improve the numerical accuracy significantly.

This paper deals with robust inference for parametric copula models. Estimation using Canonical Maximum Likelihood might be unstable, especially in the presence of outliers. We propose to use a procedure based on the Maximum Mean Discrepancy (MMD) principle. We derive non-asymptotic oracle inequalities, consistency and asymptotic normality of this new estimator. In particular, the oracle inequality holds without any assumption on the copula family, and can be applied in the presence of outliers or under misspecification. Moreover, in our MMD framework, the statistical inference of copula models for which there exists no density with respect to the Lebesgue measure on $[0,1]^d$, as the Marshall-Olkin copula, becomes feasible. A simulation study shows the robustness of our new procedures, especially compared to pseudo-maximum likelihood estimation. An R package implementing the MMD estimator for copula models is available.

We develop an \textit{a posteriori} error analysis for the time of the first occurrence of an event, specifically, the time at which a functional of the solution to a partial differential equation (PDE) first achieves a threshold value on a given time interval. This novel quantity of interest (QoI) differs from classical QoIs which are modeled as bounded linear (or nonlinear) functionals. Taylor's theorem and an adjoint-based \textit{a posteriori} analysis is used to derive computable and accurate error estimates for semi-linear parabolic and hyperbolic PDEs. The accuracy of the error estimates is demonstrated through numerical solutions of the one-dimensional heat equation and linearized shallow water equations (SWE), representing parabolic and hyperbolic cases, respectively.

We construct a space-time parallel method for solving parabolic partial differential equations by coupling the Parareal algorithm in time with overlapping domain decomposition in space. The goal is to obtain a discretization consisting of "local" problems that can be solved on parallel computers efficiently. However, this introduces significant sources of error that must be evaluated. Reformulating the original Parareal algorithm as a variational method and implementing a finite element discretization in space enables an adjoint-based a posteriori error analysis to be performed. Through an appropriate choice of adjoint problems and residuals the error analysis distinguishes between errors arising due to the temporal and spatial discretizations, as well as between the errors arising due to incomplete Parareal iterations and incomplete iterations of the domain decomposition solver. We first develop an error analysis for the Parareal method applied to parabolic partial differential equations, and then refine this analysis to the case where the associated spatial problems are solved using overlapping domain decomposition. These constitute our Time Parallel Algorithm (TPA) and Space-Time Parallel Algorithm (STPA) respectively. Numerical experiments demonstrate the accuracy of the estimator for both algorithms and the iterations between distinct components of the error.

In this paper, we consider the widely used but not fully understood stochastic estimator based on moving average (SEMA), which only requires {\bf a general unbiased stochastic oracle}. We demonstrate the power of SEMA on a range of stochastic non-convex optimization problems. In particular, we analyze various stochastic methods (existing or newly proposed) based on the {\bf variance recursion property} of SEMA for three families of non-convex optimization, namely standard stochastic non-convex minimization, stochastic non-convex strongly-concave min-max optimization, and stochastic bilevel optimization. Our contributions include: (i) for standard stochastic non-convex minimization, we present a simple and intuitive proof of convergence for a family of Adam-style methods (including Adam, AMSGrad, AdaBound, etc.) with an increasing or large "momentum" parameter for the first-order moment, which gives an alternative yet more natural way to guarantee Adam converge; (ii) for stochastic non-convex strongly-concave min-max optimization, we present a single-loop primal-dual stochastic momentum and adaptive methods based on the moving average estimators and establish its oracle complexity of $O(1/\epsilon^4)$ without using a large mini-batch size, addressing a gap in the literature; (iii) for stochastic bilevel optimization, we present a single-loop stochastic method based on the moving average estimators and establish its oracle complexity of $\widetilde O(1/\epsilon^4)$ without computing the SVD of the Hessian matrix, improving state-of-the-art results. For all these problems, we also establish a variance diminishing result for the used stochastic gradient estimators.

In this article we prove that a class of Goppa codes whose Goppa polynomial is of the form $g(x) = x + x^q + \cdots + x^{q^{m-1}}$ where $m \geq 3$ (i.e. $g(x)$ is a trace polynomial from a field extension of degree $m \geq 3$) has a better minimum distance than what the Goppa bound $d \geq 2deg(g(x))+1$ implies. Our improvement is based on finding another Goppa polynomial $h$ such that $C(L,g) = C(M, h)$ but $deg(h) > deg(g)$. This is a significant improvement over Trace Goppa codes over quadratic field extensions (i.e. the case $m = 2$), as the Goppa bound for the quadratic case is sharp.

We introduce HuMoR: a 3D Human Motion Model for Robust Estimation of temporal pose and shape. Though substantial progress has been made in estimating 3D human motion and shape from dynamic observations, recovering plausible pose sequences in the presence of noise and occlusions remains a challenge. For this purpose, we propose an expressive generative model in the form of a conditional variational autoencoder, which learns a distribution of the change in pose at each step of a motion sequence. Furthermore, we introduce a flexible optimization-based approach that leverages HuMoR as a motion prior to robustly estimate plausible pose and shape from ambiguous observations. Through extensive evaluations, we demonstrate that our model generalizes to diverse motions and body shapes after training on a large motion capture dataset, and enables motion reconstruction from multiple input modalities including 3D keypoints and RGB(-D) videos.

In order to avoid the curse of dimensionality, frequently encountered in Big Data analysis, there was a vast development in the field of linear and nonlinear dimension reduction techniques in recent years. These techniques (sometimes referred to as manifold learning) assume that the scattered input data is lying on a lower dimensional manifold, thus the high dimensionality problem can be overcome by learning the lower dimensionality behavior. However, in real life applications, data is often very noisy. In this work, we propose a method to approximate $\mathcal{M}$ a $d$-dimensional $C^{m+1}$ smooth submanifold of $\mathbb{R}^n$ ($d \ll n$) based upon noisy scattered data points (i.e., a data cloud). We assume that the data points are located "near" the lower dimensional manifold and suggest a non-linear moving least-squares projection on an approximating $d$-dimensional manifold. Under some mild assumptions, the resulting approximant is shown to be infinitely smooth and of high approximation order (i.e., $O(h^{m+1})$, where $h$ is the fill distance and $m$ is the degree of the local polynomial approximation). The method presented here assumes no analytic knowledge of the approximated manifold and the approximation algorithm is linear in the large dimension $n$. Furthermore, the approximating manifold can serve as a framework to perform operations directly on the high dimensional data in a computationally efficient manner. This way, the preparatory step of dimension reduction, which induces distortions to the data, can be avoided altogether.

In this paper, we study the optimal convergence rate for distributed convex optimization problems in networks. We model the communication restrictions imposed by the network as a set of affine constraints and provide optimal complexity bounds for four different setups, namely: the function $F(\xb) \triangleq \sum_{i=1}^{m}f_i(\xb)$ is strongly convex and smooth, either strongly convex or smooth or just convex. Our results show that Nesterov's accelerated gradient descent on the dual problem can be executed in a distributed manner and obtains the same optimal rates as in the centralized version of the problem (up to constant or logarithmic factors) with an additional cost related to the spectral gap of the interaction matrix. Finally, we discuss some extensions to the proposed setup such as proximal friendly functions, time-varying graphs, improvement of the condition numbers.