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We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

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The paper focuses on a new error analysis of a class of mixed FEMs for stationary incompressible magnetohydrodynamics with the standard inf-sup stable velocity-pressure space pairs to Navier-Stokes equations and the N\'ed\'elec's edge element for the magnetic field. The methods have been widely used in various numerical simulations in the last several decades, while the existing analysis is not optimal due to the strong coupling of system and the pollution of the lower-order N\'ed\'elec's edge approximation in analysis. In terms of a newly modified Maxwell projection we establish new and optimal error estimates. In particular, we prove that the method based on the commonly-used Taylor-Hood/lowest-order N\'ed\'elec's edge element is efficient and the method provides the second-order accuracy for numerical velocity. Two numerical examples for the problem in both convex and nonconvex polygonal domains are presented. Numerical results confirm our theoretical analysis.

We consider maximization of stochastic monotone continuous submodular functions (CSF) with a diminishing return property. Existing algorithms only guarantee the performance \textit{in expectation}, and do not bound the probability of getting a bad solution. This implies that for a particular run of the algorithms, the solution may be much worse than the provided guarantee in expectation. In this paper, we first empirically verify that this is indeed the case. Then, we provide the first \textit{high-probability} analysis of the existing methods for stochastic CSF maximization, namely PGA, boosted PGA, SCG, and SCG++. Finally, we provide an improved high-probability bound for SCG, under slightly stronger assumptions, with a better convergence rate than that of the expected solution. Through extensive experiments on non-concave quadratic programming (NQP) and optimal budget allocation, we confirm the validity of our bounds and show that even in the worst-case, PGA converges to $OPT/2$, and boosted PGA, SCG, SCG++ converge to $(1 - 1/e)OPT$, but at a slower rate than that of the expected solution.

Multi-agent interactions are increasingly important in the context of reinforcement learning, and the theoretical foundations of policy gradient methods have attracted surging research interest. We investigate the global convergence of natural policy gradient (NPG) algorithms in multi-agent learning. We first show that vanilla NPG may not have parameter convergence, i.e., the convergence of the vector that parameterizes the policy, even when the costs are regularized (which enabled strong convergence guarantees in the policy space in the literature). This non-convergence of parameters leads to stability issues in learning, which becomes especially relevant in the function approximation setting, where we can only operate on low-dimensional parameters, instead of the high-dimensional policy. We then propose variants of the NPG algorithm, for several standard multi-agent learning scenarios: two-player zero-sum matrix and Markov games, and multi-player monotone games, with global last-iterate parameter convergence guarantees. We also generalize the results to certain function approximation settings. Note that in our algorithms, the agents take symmetric roles. Our results might also be of independent interest for solving nonconvex-nonconcave minimax optimization problems with certain structures. Simulations are also provided to corroborate our theoretical findings.

We develop in this work the first polytopal complexes of differential forms. These complexes, inspired by the Discrete De Rham and the Virtual Element approaches, are discrete versions of the de Rham complex of differential forms built on meshes made of general polytopal elements. Both constructions benefit from the high-level approach of polytopal methods, which leads, on certain meshes, to leaner constructions than the finite element method. We establish commutation properties between the interpolators and the discrete and continuous exterior derivatives, prove key polynomial consistency results for the complexes, and show that their cohomologies are isomorphic to the cohomology of the continuous de Rham complex.

We propose an alternating direction method of multipliers (ADMM) to solve an optimization problem stemming from inverse lithography. The objective functional of the optimization problem includes three terms: the misfit between the imaging on wafer and the target pattern, the penalty term which ensures the mask is binary and the total variation regularization term. By variable splitting, we introduce an augmented Lagrangian for the original objective functional. In the framework of ADMM method, the optimization problem is divided into several subproblems. Each of the subproblems can be solved efficiently. We give the convergence analysis of the proposed method. Specially, instead of solving the subproblem concerning sigmoid, we solve directly the threshold truncation imaging function which can be solved analytically. We also provide many numerical examples to illustrate the effectiveness of the method.

The Variational Monte Carlo (VMC) is a promising approach for computing the ground state energy of many-body quantum problems and attracts more and more interests due to the development of machine learning. The recent paradigms in VMC construct neural networks as trial wave functions, sample quantum configurations using Markov chain Monte Carlo (MCMC) and train neural networks with stochastic gradient descent (SGD) method. However, the theoretical convergence of VMC is still unknown when SGD interacts with MCMC sampling given a well-designed trial wave function. Since MCMC reduces the difficulty of estimating gradients, it has inevitable bias in practice. Moreover, the local energy may be unbounded, which makes it harder to analyze the error of MCMC sampling. Therefore, we assume that the local energy is sub-exponential and use the Bernstein inequality for non-stationary Markov chains to derive error bounds of the MCMC estimator. Consequently, VMC is proven to have a first order convergence rate $O(\log K/\sqrt{n K})$ with $K$ iterations and a sample size $n$. It partially explains how MCMC influences the behavior of SGD. Furthermore, we verify the so-called correlated negative curvature condition and relate it to the zero-variance phenomena in solving eigenvalue functions. It is shown that VMC escapes from saddle points and reaches $(\epsilon,\epsilon^{1/4})$ -approximate second order stationary points or $\epsilon^{1/2}$-variance points in at least $O(\epsilon^{-11/2}\log^{2}(1/\epsilon) )$ steps with high probability. Our analysis enriches the understanding of how VMC converges efficiently and can be applied to general variational methods in physics and statistics.

The local convergence of an inexact Newton method is studied for solving generalized equations on Riemannian manifolds by using the metric regularity property which is explored as well. Under suitable conditions and without any additional geometric assumptions, local convergence results with linear and quadratic rate and a semi-local convergence result are obtained for the proposed method. Finally, the theory can be applied to problems of finding a singularity of the sum of two vector fields.

The flocking motion control is concerned with managing the possible conflicts between local and team objectives of multi-agent systems. The overall control process guides the agents while monitoring the flock-cohesiveness and localization. The underlying mechanisms may degrade due to overlooking the unmodeled uncertainties associated with the flock dynamics and formation. On another side, the efficiencies of the various control designs rely on how quickly they can adapt to different dynamic situations in real-time. An online model-free policy iteration mechanism is developed here to guide a flock of agents to follow an independent command generator over a time-varying graph topology. The strength of connectivity between any two agents or the graph edge weight is decided using a position adjacency dependent function. An online recursive least squares approach is adopted to tune the guidance strategies without knowing the dynamics of the agents or those of the command generator. It is compared with another reinforcement learning approach from the literature which is based on a value iteration technique. The simulation results of the policy iteration mechanism revealed fast learning and convergence behaviors with less computational effort.

Gradient-based learning in multi-layer neural networks displays a number of striking features. In particular, the decrease rate of empirical risk is non-monotone even after averaging over large batches. Long plateaus in which one observes barely any progress alternate with intervals of rapid decrease. These successive phases of learning often take place on very different time scales. Finally, models learnt in an early phase are typically `simpler' or `easier to learn' although in a way that is difficult to formalize. Although theoretical explanations of these phenomena have been put forward, each of them captures at best certain specific regimes. In this paper, we study the gradient flow dynamics of a wide two-layer neural network in high-dimension, when data are distributed according to a single-index model (i.e., the target function depends on a one-dimensional projection of the covariates). Based on a mixture of new rigorous results, non-rigorous mathematical derivations, and numerical simulations, we propose a scenario for the learning dynamics in this setting. In particular, the proposed evolution exhibits separation of timescales and intermittency. These behaviors arise naturally because the population gradient flow can be recast as a singularly perturbed dynamical system.

The era of big data provides researchers with convenient access to copious data. However, people often have little knowledge about it. The increasing prevalence of big data is challenging the traditional methods of learning causality because they are developed for the cases with limited amount of data and solid prior causal knowledge. This survey aims to close the gap between big data and learning causality with a comprehensive and structured review of traditional and frontier methods and a discussion about some open problems of learning causality. We begin with preliminaries of learning causality. Then we categorize and revisit methods of learning causality for the typical problems and data types. After that, we discuss the connections between learning causality and machine learning. At the end, some open problems are presented to show the great potential of learning causality with data.

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