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We present an efficient quasi-Newton orbital solver optimized to reduce the number of gradient (Fock matrix) evaluations. The solver optimizes orthogonal orbitals by sequences of unitary rotations generated by the (preconditioned)…

化学物理 · 物理学 2023-12-20 Samuel A. Slattery , Kshitijkumar Surjuse , Edward F. Valeev

This paper generalizes a previously-conceived, continuation-based optimization technique for scalar objective functions on constraint manifolds to cases of periodic and quasiperiodic solutions of delay-differential equations. A Lagrange…

动力系统 · 数学 2022-09-27 Zaid Ahsan , Harry Dankowicz , Jan Sieber

Optimal control theory aims to find an optimal protocol to steer a system between assigned boundary conditions while minimizing a given cost functional in finite time. Equations arising from these types of problems are often non-linear and…

最优化与控制 · 数学 2025-02-21 Julia Sanders , Paolo Muratore-Ginanneschi

Spectral methods, thanks to their high accuracy and the possibility to use fast algorithms, represent an effective way to approximate the collisional kinetic equations of Boltzmann type, such as the Boltzmann-Nordheim equation. This…

数值分析 · 数学 2021-10-27 Alexandre Mouton , Thomas Rey

Hard optimization problems are often approached by finding approximate solutions. Here, we highlight the concept of proportional sampling and discuss how it can be used to improve the performance of stochastic algorithms for optimization.…

量子物理 · 物理学 2018-08-01 Juan Miguel Arrazola , Thomas R. Bromley , Patrick Rebentrost

We use the score-based transport modeling method to solve the mean-field Fokker-Planck equations, which we call MSBTM. We establish an upper bound on the time derivative of the Kullback-Leibler (KL) divergence to MSBTM numerical estimation…

数值分析 · 数学 2023-05-09 Jianfeng Lu , Yue Wu , Yang Xiang

Formulated is a new systematic method for obtaining higher order corrections in numerical simulation of stochastic differential equations (SDEs), i.e., Langevin equations. Random walk step algorithms within a given order of finite $\Delta…

高能物理 - 格点 · 物理学 2009-10-28 H. Nakajima , S. Furui

The fractional Fokker-Planck system with multiple internal states is derived in [Xu and Deng, Math. Model. Nat. Phenom., $\mathbf{13}$, 10 (2018)], where the space derivative is Laplace operator. If the jump length distribution of the…

数值分析 · 数学 2024-09-23 Daxin Nie , Jing Sun , Weihua Deng

We present an efficient and parsimonious algorithm to solve mixed initial/final-value problems. The algorithm optimally limits the memory storage and the computational time requirements: with respect to a simple forward integration, the…

计算物理 · 物理学 2009-11-10 Antonio Celani , Massimo Cencini , Alain Noullez

A numerical solution to the Fokker-Planck equation using a two-level scheme is presented. The Fokker-Planck (FP) equation is of parabolic type equation govern the time evolution of probability density function of the stochastic processes.…

数值分析 · 数学 2020-06-30 Muhammad Munir Butt

This paper considers solving convex quadratic programs (QPs) in a real-time setting using a regularized and smoothed Fischer-Burmeister method (FBRS). The Fischer-Burmeister function is used to map the optimality conditions of the quadratic…

最优化与控制 · 数学 2018-10-03 Dominic Liao-McPherson , Mike Huang , Ilya Kolmanovsky

Recently several methods were proposed for sparse optimization which make careful use of second-order information [10, 28, 16, 3] to improve local convergence rates. These methods construct a composite quadratic approximation using Hessian…

机器学习 · 计算机科学 2015-07-15 Katya Scheinberg , Xiaocheng Tang

This work is concerned with solving high-dimensional Fokker-Planck equations with the novel perspective that solving the PDE can be reduced to independent instances of density estimation tasks based on the trajectories sampled from its…

数值分析 · 数学 2023-12-13 Xun Tang , Lexing Ying

L-BFGS is the state-of-the-art optimization method for many large scale inverse problems. It has a small memory footprint and achieves superlinear convergence. The method approximates Hessian based on an initial approximation and an update…

数值分析 · 数学 2021-03-19 Hari Om Aggrawal , Jan Modersitzki

We analyse and compare several algorithms to compute numerically periodic solutions of high-dimensional dynamical systems and investigate their Floquet stability without building the monodromy matrix. The solution and its perturbation are…

流体动力学 · 物理学 2025-06-17 Artur Gesla , Yohann Duguet , Patrick Le Quéré , Laurent Martin Witkowski

Solutions of stationary Fokker-Planck equations in the narrow beam regime are commonly approximated by either ballistic linear transport or by a Fermi pencil-beam equation. We present a rigorous approximation analysis of these three models…

偏微分方程分析 · 数学 2020-06-09 Guillaume Bal , Benjamin Palacios

This paper explores the use of a discrete singular convolution algorithm as a unified approach for numerical integration of the Fokker-Planck equation. The unified features of the discrete singular convolution algorithm are discussed. It is…

计算物理 · 物理学 2009-11-06 G. W. Wei

We introduce a Benamou-Brenier formulation for the continuous-time martingale optimal transport problem as a weak length relaxation of its discrete-time counterpart. By the correspondence between classical martingale problems and…

概率论 · 数学 2018-08-29 Martin Huesmann , Dario Trevisan

Ideal gases can be modeled by the Boltzmann equation from statistical physics. Instead of trying to track the position and velocity of a large number of gas molecules, it is possible to describe the particles with a particle distribution…

数值分析 · 数学 2025-11-27 Vienna B. Rossmanith

Solving the Fokker-Planck equation for high-dimensional complex turbulent dynamical systems is an important and practical issue. However, most traditional methods suffer from the curse of dimensionality and have difficulties in capturing…

统计方法学 · 统计学 2017-12-06 Nan Chen , Andrew J. Majda