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A consequent approach is proposed to construct symplectic force-gradient algorithms of arbitrarily high orders in the time step for precise integration of motion in classical and quantum mechanics simulations. Within this approach the basic…

统计力学 · 物理学 2009-11-07 Igor Omelyan , Ihor Mryglod , Reinhard Folk

In this contribution, we present the implementation of a second-order CASSCF algorithm in conjunction with the Cholesky decomposition of the two-electron repulsion integrals. The algorithm, called Norm-Extended Optimization, guarantees…

化学物理 · 物理学 2021-04-09 Tommaso Nottoli , Jürgen Gauss , Filippo Lipparini

In this article, we construct novel explicit solutions for nonlinear Schr\"odinger systems with spatially inhomogeneous nonlinearity by means of the Lie symmetry method. We focus the attention to solutions with non-trivial phase, which have…

数学物理 · 物理学 2020-01-08 J. Belmonte-Beitia , F. Güngör , P. J. Torres

A second order accurate, linear numerical method is analyzed for the Landau-Lifshitz equation with large damping parameters. This equation describes the dynamics of magnetization, with a non-convexity constraint of unit length of the…

数值分析 · 数学 2021-11-16 Yongyong Cai , Jingrun Chen , Cheng Wang , Changjian Xie

We propose and analyze several inexact regularized Newton-type methods for finding a global saddle point of convex-concave unconstrained min-max optimization problems. Compared to first-order methods, our understanding of second-order…

最优化与控制 · 数学 2026-05-27 Tianyi Lin , Panayotis Mertikopoulos , Michael I. Jordan

The term `Convected Scheme' (CS) refers to a family of algorithms, most usually applied to the solution of Boltzmann's equation, which uses a method of characteristics in an integral form to project an initial cell forward to a group of…

计算物理 · 物理学 2013-05-24 Yaman Güçlü , William N. G. Hitchon

The 1D Schr\"odinger equation closed with the transparent boundary conditions(TBCs) is known as a successful model for describing quantum effects, and is usually considered with a self-consistent Poisson equation in simulating quantum…

数值分析 · 数学 2024-11-21 Meili Guo , Haiyan Jiang , Tiao Lu , Wenqi Yao

This paper proposes a neural stochastic optimization method for efficiently solving the two-stage stochastic unit commitment (2S-SUC) problem under high-dimensional uncertainty scenarios. The proposed method approximates the second-stage…

系统与控制 · 电气工程与系统科学 2026-04-16 Zhentong Shao , Jingtao Qin , Nanpeng Yu

This paper presents an extension of the hybrid scheme proposed by Wang et al. (J. Comput. Phys. 229 (2010) 169-180) for numerical simulation of compressible isotropic turbulence to flows with higher turbulent Mach numbers. The scheme still…

计算物理 · 物理学 2021-03-11 L. Q. Liu , J. C. Wang , Y. P. Shi , S. Y. Chen , X. T. He

Improved five-point low dissipation nonlinear schemes are proposed in this paper within the framework of weighted compact nonlinear schemes (WCNSs) \cite{Deng2000}. Particularly we follow the work of Li and Du \cite{Li2016} on the two-stage…

数值分析 · 数学 2022-08-15 Huaibao Zhang , GX Wang

This note studies numerical methods for solving compositional optimization problems, where the inner function is smooth, and the outer function is Lipschitz continuous, non-smooth, and non-convex but exhibits one of two special structures…

最优化与控制 · 数学 2024-11-22 Yao Yao , Qihang Lin , Tianbao Yang

Constraint handling remains a key bottleneck in quantum combinatorial optimization. While slack-variable-based encodings are straightforward, they significantly increase qubit counts and circuit depth, challenging the scalability of quantum…

量子物理 · 物理学 2025-08-12 Monit Sharma , Hoong Chuin Lau

Cross-docking is a logistics strategy that minimizes the storage and picking functions of conventional warehouses. The objective is to unload the cargo from inbound trucks and directly load it into outbound trucks, with little or no…

最优化与控制 · 数学 2019-04-09 Gabriela B. Fonseca , Thiago H. Nogueira , Martin G. Ravetti

We consider the study of a numerical scheme for an initial- and Dirichlet boundary- value problem for a nonlinear Schr\"odinger equation. We approximate the solution using a, local (non-uniform) two level scheme in time (see C. Besse [6]…

数值分析 · 数学 2017-11-02 Mohammad Asadzadeh , Christoffer Standar

Robust optimization is an established framework for modeling optimization problems with uncertain parameters. While static robust optimization is often criticized for being too conservative, two-stage (or adjustable) robust optimization…

最优化与控制 · 数学 2024-11-05 Justin Dumouchelle , Esther Julien , Jannis Kurtz , Elias B. Khalil

We develop a two-dimensional high-order numerical scheme that exactly preserves and captures the moving steady states of the shallow water equations with topography or Manning friction. The high-order accuracy relies on a suitable…

This paper discusses several (sub)gradient methods attaining the optimal complexity for smooth problems with Lipschitz continuous gradients, nonsmooth problems with bounded variation of subgradients, weakly smooth problems with H\"older…

最优化与控制 · 数学 2016-05-02 Masoud Ahookhosh

In this article we present the first better than second order accurate unstructured Lagrangian-type one-step WENO finite volume scheme for the solution of hyperbolic partial differential equations with non-conservative products. The method…

数值分析 · 数学 2013-04-18 Michael Dumbser , Walter Boscheri

Recent advances in computationally efficient non-myopic Bayesian optimization (BO) improve query efficiency over traditional myopic methods like expected improvement while only modestly increasing computational cost. These advances have…

机器学习 · 统计学 2021-12-07 Yunxiang Zhang , Xiangyu Zhang , Peter I. Frazier

We consider a two-stage stochastic optimization problem, in which a long-term optimization variable is coupled with a set of short-term optimization variables in both objective and constraint functions. Despite that two-stage stochastic…

最优化与控制 · 数学 2021-07-07 An Liu , Rui Yang , Tony Q. S. Quek , Min-Jian Zhao