通过光谱图学习马科夫动力学

Jakub Rydzewski1, Tuğçe Gökdemir1

  • 1Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Toruń, Poland.

概括

这项研究引入了一种改进的光谱图技术,用于识别关键分子动态描述符,称为集体变量 (CV). 该方法准确地学习缓慢的CV,增强复杂分子系统的分析.

相关概念视频

Region of Convergence of Laplace Tarnsform01:20

Region of Convergence of Laplace Tarnsform

The Region of Convergence (ROC) is a fundamental concept in signal processing and system analysis, particularly associated with the Laplace transform. The ROC represents an area in the complex plane where the Laplace transform of a given signal converges, determining the transform's applicability and utility.
Consider a decaying exponential signal that begins at a specific time. When deriving its Laplace transform, the time-domain variable is replaced with a complex variable. This...
547
Linear time-invariant Systems01:23

Linear time-invariant Systems

A system is linear if it displays the characteristics of homogeneity and additivity, together termed the superposition property. This principle is fundamental in all linear systems. Linear time-invariant (LTI) systems include systems with linear elements and constant parameters.
The input-output behavior of an LTI system can be fully defined by its response to an impulsive excitation at its input. Once this impulse response is known, the system's reaction to any other input can be...
258
State Space Representation01:27

State Space Representation

The frequency-domain technique, commonly used in analyzing and designing feedback control systems, is effective for linear, time-invariant systems. However, it falls short when dealing with nonlinear, time-varying, and multiple-input multiple-output systems. The time-domain or state-space approach addresses these limitations by utilizing state variables to construct simultaneous, first-order differential equations, known as state equations, for an nth-order system.
Consider an RLC circuit, a...
207
Poisson's And Laplace's Equation01:25

Poisson's And Laplace's Equation

The electric potential of the system can be calculated by relating it to the electric charge densities that give rise to the electric potential. The differential form of Gauss's law expresses the electric field's divergence in terms of the electric charge density.
2.8K
Linear Approximation in Time Domain01:21

Linear Approximation in Time Domain

Nonlinear systems often require sophisticated approaches for accurate modeling and analysis, with state-space representation being particularly effective. This method is especially useful for systems where variables and parameters vary with time or operating conditions, such as in a simple pendulum or a translational mechanical system with nonlinear springs.
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length,...
81
State Space to Transfer Function01:21

State Space to Transfer Function

The conversion of state-space representation to a transfer function is a fundamental process in system analysis. It provides a method for transitioning from a time-domain description to a frequency-domain representation, which is crucial for simplifying the analysis and design of control systems.
The transformation process begins with the state-space representation, characterized by the state equation and the output equation. These equations are typically represented as:
203