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Markov chain Monte Carlo

In statistics, Markov chain Monte Carlo (MCMC) methods comprise a class of algorithms for sampling from a probability distribution. By constructing a Markov chain that has the desired distribution as its equilibrium distribution, one can obtain a sample of the desired distribution by observing the chain after a number of steps. The more steps there are, the more closely the distribution of the sample matches the actual desired distribution. In statistics, Markov chain Monte Carlo (MCMC) methods comprise a class of algorithms for sampling from a probability distribution. By constructing a Markov chain that has the desired distribution as its equilibrium distribution, one can obtain a sample of the desired distribution by observing the chain after a number of steps. The more steps there are, the more closely the distribution of the sample matches the actual desired distribution. Markov chain Monte Carlo methods are primarily used for calculating numerical approximations of multi-dimensional integrals, for example in Bayesian statistics, computational physics, computational biology, and computational linguistics. In Bayesian statistics, the recent development of Markov chain Monte Carlo methods has been a key step in making it possible to compute large hierarchical models that require integrations over hundreds or even thousands of unknown parameters. In rare event sampling, they are also used for generating samples that gradually populate the rare failure region. Markov chain Monte Carlo methods create samples from a possibly multi-dimensional continuous random variable, with probability density proportional to a known function. These samples can be used to evaluate an integral over that variable, as its expected value or variance. Practically, an ensemble of chains is generally developed, starting from a set of points arbitrarily chosen and sufficiently distant from each other. These chains are stochastic processes of 'walkers' which move around randomly according to an algorithm which looks for places with a reasonably high contribution to the integral to move into next, assigning them higher probabilities. Random walk Monte Carlo methods are a kind of random simulation or Monte Carlo method. However, whereas the random samples of the integrand used in a conventional Monte Carlo integration are statistically independent, those used in Markov chain Monte Carlo methods are autocorrelated. These algorithms create Markov chains such that they have an equilibrium distribution which is proportional to the function given. While MCMC methods were created to address multi-dimensional problems better than simple Monte Carlo algorithms, when the number of dimensions rises they too tend to suffer the curse of dimensionality: the regions of higher probability tend to stretch and get lost in a increasing volume of space that gives little contribution to the desired integral. One way to address this problem could be shortening the steps of the walker, so that it doesn't continuously try to exit the highest probability region, though this way the process would be highly autocorrelated and quite ineffective (i.e. many steps would be required for an accurate result). More sophisticated methods use various ways of reducing the autocorrelation, while managing to keep the process in the regions that give a higher contribution to the integral. These algorithms usually rely on a more complicated theory, and may be harder to implement, but they usually exhibit faster convergence (fewer steps required).

[ "Monte Carlo method", "Bayesian probability", "Hybrid Monte Carlo", "dirichlet process mixture", "Monte Carlo molecular modeling", "Dependent Dirichlet process", "Metropolis–Hastings algorithm" ]
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