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Sawilowsky [56] distinguishes between a simulation, a Monte Carlo method, and a Monte Carlo simulation: a simulation is a fictitious representation of reality, a Monte Carlo method is a technique that can be used to solve a mathematical or statistical problem, and a Monte Carlo simulation uses repeated sampling to obtain the statistical ...
Another important concept related to the Monte Carlo integration is the importance sampling, a technique that improves the computational time of the simulation. In the following sections, the general implementation of the Monte Carlo integration for solving this kind of problems is discussed.
In statistics, Markov chain Monte Carlo (MCMC) is a class of algorithms used to draw samples from a probability distribution.Given a probability distribution, one can construct a Markov chain whose elements' distribution approximates it – that is, the Markov chain's equilibrium distribution matches the target distribution.
The Metropolis-Hastings algorithm sampling a normal one-dimensional posterior probability distribution.. In statistics and statistical physics, the Metropolis–Hastings algorithm is a Markov chain Monte Carlo (MCMC) method for obtaining a sequence of random samples from a probability distribution from which direct sampling is difficult.
The difference is that this approach relies on equilibrium statistical mechanics rather than molecular dynamics. Instead of trying to reproduce the dynamics of a system, it generates states according to appropriate Boltzmann distribution. Thus, it is the application of the Metropolis Monte Carlo simulation to molecular systems.
Importance sampling is a variance reduction technique that can be used in the Monte Carlo method.The idea behind importance sampling is that certain values of the input random variables in a simulation have more impact on the parameter being estimated than others.