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The monotone variational inequality is a central problem in mathematical programming that unifies and generalizes many important settings such as smooth convex optimization, two-player zero-sum games, convex-concave saddle point problems, etc. The extragradient method by Korpelevich [1976] is one of the most popular methods for solving monotone variational inequalities. Despite its long history and intensive attention from the optimization and machine learning community, the following major problem remains open. What is the last-iterate convergence rate of the extragradient method for monotone and Lipschitz variational inequalities with constraints? We resolve this open problem by showing a tight $O\left(\frac{1}{\sqrt{T}}\right)$ last-iterate convergence rate for arbitrary convex feasible sets, which matches the lower bound by Golowich et al. [2020]. Our rate is measured in terms of the standard gap function. The technical core of our result is the monotonicity of a new performance measure -- the tangent residual, which can be viewed as an adaptation of the norm of the operator that takes the local constraints into account. To establish the monotonicity, we develop a new approach that combines the power of the sum-of-squares programming with the low dimensionality of the update rule of the extragradient method. We believe our approach has many additional applications in the analysis of iterative methods.

Stochastic Gradient Descent (SGD) is a central tool in machine learning. We prove that SGD converges to zero loss, even with a fixed (non-vanishing) learning rate - in the special case of homogeneous linear classifiers with smooth monotone loss functions, optimized on linearly separable data. Previous works assumed either a vanishing learning rate, iterate averaging, or loss assumptions that do not hold for monotone loss functions used for classification, such as the logistic loss. We prove our result on a fixed dataset, both for sampling with or without replacement. Furthermore, for logistic loss (and similar exponentially-tailed losses), we prove that with SGD the weight vector converges in direction to the $L_2$ max margin vector as $O(1/\log(t))$ for almost all separable datasets, and the loss converges as $O(1/t)$ - similarly to gradient descent. Lastly, we examine the case of a fixed learning rate proportional to the minibatch size. We prove that in this case, the asymptotic convergence rate of SGD (with replacement) does not depend on the minibatch size in terms of epochs, if the support vectors span the data. These results may suggest an explanation to similar behaviors observed in deep networks, when trained with SGD.

In this paper, we introduce reduced-bias estimators for the estimation of the tail index of a Pareto-type distribution. This is achieved through the use of a regularised weighted least squares with an exponential regression model for log-spacings of top order statistics. The asymptotic properties of the proposed estimators are investigated analytically and found to be asymptotically unbiased, consistent and normally distributed. Also, the finite sample behaviour of the estimators are studied through a simulations theory. The proposed estimators were found to yield low bias and MSE. In addition, the proposed estimators are illustrated through the estimation of the tail index of the underlying distribution of claims from the insurance industry.

This paper makes the first attempt to apply newly developed upwind GFDM for the meshless solution of two-phase porous flow equations. In the presented method, node cloud is used to flexibly discretize the computational domain, instead of complicated mesh generation. Combining with moving least square approximation and local Taylor expansion, spatial derivatives of oil-phase pressure at a node are approximated by generalized difference operators in the local influence domain of the node. By introducing the first-order upwind scheme of phase relative permeability, and combining the discrete boundary conditions, fully-implicit GFDM-based nonlinear discrete equations of the immiscible two-phase porous flow are obtained and solved by the nonlinear solver based on the Newton iteration method with the automatic differentiation, to avoid the additional computational cost and possible computational instability caused by sequentially coupled scheme. Two numerical examples are implemented to test the computational performances of the presented method. Detailed error analysis finds the two sources of the calculation error, roughly studies the convergence order thus find that the low-order error of GFDM makes the convergence order of GFDM lower than that of FDM when node spacing is small, and points out the significant effect of the symmetry or uniformity of the node collocation in the node influence domain on the accuracy of generalized difference operators, and the radius of the node influence domain should be small to achieve high calculation accuracy, which is a significant difference between the studied hyperbolic two-phase porous flow problem and the elliptic problems when GFDM is applied.

We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is held in canonical thermal equilibrium by weak coupling with a "super-bath". Our approach is a generalization of now standard typicality algorithms for computing the quantum expectation value of observables of bare quantum systems via trace estimators and Krylov subspace methods. In particular, our algorithm makes use of the fact that the reduced system density, when the bath is measured in a given random state, tends to concentrate about the corresponding thermodynamic averaged reduced system density. Theoretical error analysis and numerical experiments are given to validate the accuracy of our algorithm. Further numerical experiments demonstrate the potential of our approach for applications including the study of quantum phase transitions and entanglement entropy for long-range interaction systems.

In this article we suggest two discretization methods based on isogeometric analysis (IGA) for planar linear elasticity. On the one hand, we apply the well-known ansatz of weakly imposed symmetry for the stress tensor and obtain a well-posed mixed formulation. Such modified mixed problems have been already studied by different authors. But we concentrate on the exploitation of IGA results to handle also curved boundary geometries. On the other hand, we consider the more complicated situation of strong symmetry, i.e. we discretize the mixed weak form determined by the so-called Hellinger-Reissner variational principle. We show the existence of suitable approximate fields leading to an inf-sup stable saddle-point problem. For both discretization approaches we prove convergence statements and in case of weak symmetry we illustrate the approximation behavior by means of several numerical experiments.

In this article we implement a method for the computation of a nonlinear elliptic problem with nonstandard growth driven by the $p(x)-$Laplacian operator. Our implementation is based in the {\em decomposition--coordination} method that allows us, via an iterative process, to solve in each step a linear differential equation and a nonlinear algebraic equation. Our code is implemented in {\sc MatLab} in 2 dimensions and turns out to be extremely efficient from the computational point of view.

The Koopman operator is beneficial for analyzing nonlinear and stochastic dynamics; it is linear but infinite-dimensional, and it governs the evolution of observables. The extended dynamic mode decomposition (EDMD) is one of the famous methods in the Koopman operator approach. The EDMD employs a data set of snapshot pairs and a specific dictionary to evaluate an approximation for the Koopman operator, i.e., the Koopman matrix. In this study, we focus on stochastic differential equations, and a method to obtain the Koopman matrix is proposed. The proposed method does not need any data set, which employs the original system equations to evaluate some of the targeted elements of the Koopman matrix. The proposed method comprises combinatorics, an approximation of the resolvent, and extrapolations. Comparisons with the EDMD are performed for a noisy van der Pol system. The proposed method yields reasonable results even in cases wherein the EDMD exhibits a slow convergence behavior.

This extensive revision of my paper "Description of an $O(\text{poly}(n))$ Algorithm for NP-Complete Combinatorial Problems" will dramatically simplify the content of the original paper by solving subset-sum instead of $3$-SAT. I will first define the "product-derivative" method which will be used to generate a system of equations for solving unknown polynomial coefficients. Then I will describe the "Dragonfly" algorithm usable to solve subset-sum in $O(n^{16}\log(n))$ which is itself composed of a set of symbolic algebra steps on monic polynomials to convert a subset, $S_T$, of a set of positive integers, $S$, with a given target sum, $T$ into a polynomial with roots corresponding to the elements of $S_T$.

The minimum energy path (MEP) describes the mechanism of reaction, and the energy barrier along the path can be used to calculate the reaction rate in thermal systems. The nudged elastic band (NEB) method is one of the most commonly used schemes to compute MEPs numerically. It approximates an MEP by a discrete set of configuration images, where the discretization size determines both computational cost and accuracy of the simulations. In this paper, we consider a discrete MEP to be a stationary state of the NEB method and prove an optimal convergence rate of the discrete MEP with respect to the number of images. Numerical simulations for the transitions of some several proto-typical model systems are performed to support the theory.