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A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic…

统计力学 · 物理学 2018-01-17 Luigi Delle Site

Quantization of energy balance equations, which describe a separatrix -- like motion is presented. The method is based on an exact canonical transformation of the energy--time pair to the action-angle canonical pair, $ (E,t)\to (I,\theta)…

混沌动力学 · 物理学 2007-05-23 A. Iomin , S. Fishman , G. M. Zaslavsky

Resources and their use and consumption form a central part of our life. Many branches of science and engineering are concerned with the question of which given resource objects can be converted into which target resource objects. For…

最优化与控制 · 数学 2017-09-08 Tobias Fritz

The method of continuous canonical transformation is applied to the double exchange model with a purpose to eliminate the interaction term responsible for non conservation of magnon number. Set of differential equations for the effective…

强关联电子 · 物理学 2009-11-07 T. Domanski

We show that the generators of canonical transformations in the triplectic manifold must satisfy constraints that have no parallel in the usual field antifield quantization. A general form for these transformations is presented. Then we…

高能物理 - 理论 · 物理学 2008-11-26 Everton M. C. Abreu , Nelson R. F. Braga , Cresus F. L. Godinho

A flow decomposition method based on canonical correlation analysis is proposed in this paper to optimally dissect complex flows into mutually orthogonal modes that are ranked by their cross-correlation with an observable. It is…

流体动力学 · 物理学 2025-09-05 Benshuai Lyu

Canonical Correlation Analysis (CCA) is a widespread technique for discovering linear relationships between two sets of variables $X \in \mathbb{R}^{n \times p}$ and $Y \in \mathbb{R}^{n \times q}$. In high dimensions however, standard…

统计方法学 · 统计学 2024-05-31 Claire Donnat , Elena Tuzhilina

We propose a new methodology, called numerical canonical quantization, to solve quantum Maxwell's equations useful for mathematical modeling of quantum optics physics, and numerical experiments on arbitrary passive and lossless…

量子物理 · 物理学 2020-08-26 Dong-Yeop Na , Jie Zhu , Fernando L. Teixeira , Weng C. Chew

Microcanonical inflection-point analysis (MIPA) identifies third-order transitions from derivatives of the microcanonical entropy, but whether such transitions admit a direct canonical formulation has remained unclear. Here we establish a…

统计力学 · 物理学 2026-03-11 Fangfang Wang , Wei Liu , Kai Qi , Zidong Cui , Ying Tang , Zengru Di

Incorporating prior knowledge into a data-driven modeling problem can drastically improve performance, reliability, and generalization outside of the training sample. The stronger the structural properties, the more effective these…

机器人学 · 计算机科学 2023-11-20 Wooyoung Chung , Daniel Polani , Stas Tiomkin

Canonical Correlation Analysis (CCA) is a linear representation learning method that seeks maximally correlated variables in multi-view data. Non-linear CCA extends this notion to a broader family of transformations, which are more powerful…

机器学习 · 计算机科学 2020-02-11 Amichai Painsky , Meir Feder , Naftali Tishby

We employ a field-theoretical variational approach to study the behavior of ionic solutions in the grand canonical ensemble. To describe properly the hardcore interactions between ions, we use a cutoff in Fourier space for the electrostatic…

软凝聚态物质 · 物理学 2016-10-03 Bastien Loubet , Manoel Manghi , John Palmeri

We introduce a novel coupling potential for the scattering of deformed light heavy-ion reactions. This new approach is based on replacing the usual first-derivative coupling potential by a new, second derivative coupling potential in the…

核理论 · 物理学 2009-11-07 I. Boztosun

Continuous normalizing flows (CNFs) construct invertible mappings between an arbitrary complex distribution and an isotropic Gaussian distribution using Neural Ordinary Differential Equations (neural ODEs). It has not been tractable on…

计算机视觉与模式识别 · 计算机科学 2022-03-29 Shian Du , Yihong Luo , Wei Chen , Jian Xu , Delu Zeng

We discuss the canonical quantization of systems formulated on discrete space-times. We start by analyzing the quantization of simple mechanical systems with discrete time. The quantization becomes challenging when the systems have…

广义相对论与量子宇宙学 · 物理学 2007-05-23 Cayetano Di Bartolo , Rodolfo Gambini , Jorge Pullin

This paper presents a canonical duality theory for solving a general nonconvex constrained optimization problem within a unified framework to cover Lagrange multiplier method and KKT theory. It is proved that if both target function and…

最优化与控制 · 数学 2013-10-09 Vittorio Latorre , David Y. Gao

Canonical transformation plays a fundamental role in simplifying and solving classical Hamiltonian systems. We construct flexible and powerful canonical transformations as generative models using symplectic neural networks. The model…

统计力学 · 物理学 2020-04-29 Shuo-Hui Li , Chen-Xiao Dong , Linfeng Zhang , Lei Wang

We present a novel mixed quantum-classical approach to the coupled electron-nuclear dynamics based on the exact factorization of the electron-nuclear wave function, recently proposed in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys.…

化学物理 · 物理学 2015-06-18 Ali Abedi , Federica Agostini , E. K. U. Gross

This paper introduces a grand canonical mixture model to generalize the nonideal Rayleigh gas [5] to an asymptotically infinite amount of perturbed tagged particles. This model relies precisely on grand canonical tags, to preserve symmetry…

偏微分方程分析 · 数学 2026-05-20 Florent Fougères

We give a dual, separated-tree formulation of Latala's majorizing measure theorem for canonical processes with log-concave tails. Under the same assumptions as in Latala's characterization, we introduce parameterized separation trees and…

概率论 · 数学 2026-05-13 Xuanang Hu , Vladimir V. Ulyanov , Hanchao Wang