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Markov chain Monte Carlo (MCMC) is a modification of the Monte Carlo simulation method. In a typical Monte Carlo simulation, we are trying to compute the expectation of some random variable, which we do by sampling and using the law of large numbers. However, often, it is either impossible or intractable to obtain enough independent samples from the desired distribution. The basic modification in MCMC from Monte Carlo is that in MCMC we use dependent samples, which are generated by a Markov chain. Under suitable and very general conditions, averages computed from the trajectory of a Markov chain will also converge to the desired expectation.

Because MCMC was motivated by Monte Carlo simulation methods, we start with a short discussion of Monte Carlo methods.

Monte Carlo Simulation

The basic problem in Monte Carlo simulations is to estimate a target density π on some (usually very complicated and large) state space. This estimation is done by drawing independent and identically distributed samples from π and using the empirical distribution as an approximation to the true distribution.

Clearly, the central concern in a Monte Carlo simulation is drawing a random sample from the target distribution π. Because of this, many sampling methods have been devised.

Rejection Sampling

Many MCMC algorithms are strongly related to rejection sampling, and this is the main reason for our discussion of rejection sampling.

A simple example best illustrates the idea behind rejection sampling. Let π is a distribution on [0,1] with density p(x). Now, suppose that there is another distribution with density q(x) on [0,1] such that p(x) < Mq(x) for all x and such that we can sample from q. To get one sample X from π, let Y be a sample from q and U be a sample from U[0,1]. If U < p(Y)/(Mq(Y)) = p(Y)/M, then we accept Y as a sample from q and set X = Y, else we reject and try again (see Figure 1 for an illustration of this).

We see that the infinitesimal probability that X = x is returned is

None

so this gives a perfect sample from p(x). Notice, however, that the efficiency is 1/M, because only one out of every M samples will be accepted.

Figure 1 Rejection Sampling

None

In general, any distribution q with p(x) ≤ Mq(x) will do (not just uniform), and the efficiency will again be 1/M.

Generalities on MCMC

For Monte Carlo simulation, we require samples from the distribution π. This is very often either impossible or highly impractical to do. Even if it is possible to generate one perfect sample, we need many independent samples for a Monte Carlo simulation. MCMC eases this problem by giving up the requirement for independent samples from π and generating instead many correlated approximate samples from π, with the approximation improving as the simulation continues.

The ergodic theorem gives some very general conditions under which MCMC will work. A Markov chain with state space Ω is irreducible if it is possible for the chain to get from any state in Ω to any other state in Ω, and it is positively recurrent if the expected time for transition from state i to state j is finite for every i,j ∊Ω. Clearly if Ω is finite and the chain is irreducible, then it is also positively recurrent.

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