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Lecture

Metropolis Algorithm: Detailed Balance

In course

PHYS-403: Computer simulation of physical systems I

The two main topics covered by this course are classical molecular dynamics and the Monte Carlo method. ...

Description

This lecture covers the detailed balance principle in the Metropolis algorithm, explaining the invariant distribution and the transition probabilities. It also discusses the two-step procedure, the choice of trial step, and starting configuration.

Instructor

Alfredo Pasquarello

Alfredo Pasquarello studied physics at the Scuola Normale Superiore of Pisa and at the University of Pisa, obtaining their respective degrees in 1986. He obtained a doctoral degree at the EPFL in 1991 with a thesis on Multiphoton Transitions in Solids . Then, he moved to Bell Laboratories at Murray Hill (New Jersey), where he carried out postdoctoral research on the magnetic properties of carbon fullerenes. In 1993, he joined the Institute for Numerical Research in the Physics of Materials (IRRMA), where his activity involved first-principles simulation methods. In 1998, he was awarded the EPFL Latsis Prize for his research work on disordered silica materials. Succeeding in grant programs of the Swiss National Science Foundation, he then set up his own research group at IRRMA. In July 2003, he is appointed Professor in Theoretical Condensed Matter Physics at EPFL. Currently, he leads the Chair of Atomic Scale Simulation.

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Related concepts (8)

Markov chain

A Markov chain or Markov process is a stochastic model describing a sequence of possible events in which the probability of each event depends only on the state attained in the previous event. Informally, this may be thought of as, "What happens next depends only on the state of affairs now." A countably infinite sequence, in which the chain moves state at discrete time steps, gives a discrete-time Markov chain (DTMC). A continuous-time process is called a continuous-time Markov chain (CTMC).

Markov property

In probability theory and statistics, the term Markov property refers to the memoryless property of a stochastic process, which means that its future evolution is independent of its history. It is named after the Russian mathematician Andrey Markov. The term strong Markov property is similar to the Markov property, except that the meaning of "present" is defined in terms of a random variable known as a stopping time. The term Markov assumption is used to describe a model where the Markov property is assumed to hold, such as a hidden Markov model.

Stochastic matrix

In mathematics, a stochastic matrix is a square matrix used to describe the transitions of a Markov chain. Each of its entries is a nonnegative real number representing a probability. It is also called a probability matrix, transition matrix, substitution matrix, or Markov matrix. The stochastic matrix was first developed by Andrey Markov at the beginning of the 20th century, and has found use throughout a wide variety of scientific fields, including probability theory, statistics, mathematical finance and linear algebra, as well as computer science and population genetics.

Metropolis light transport

Metropolis light transport (MLT) is a global illumination application of a variant of the Monte Carlo method called the Metropolis–Hastings algorithm to the rendering equation for generating images from detailed physical descriptions of three-dimensional scenes. The procedure constructs paths from the eye to a light source using bidirectional path tracing, then constructs slight modifications to the path. Some careful statistical calculation (the Metropolis algorithm) is used to compute the appropriate distribution of brightness over the image.

Prim's algorithm

In computer science, Prim's algorithm (also known as Jarník's algorithm) is a greedy algorithm that finds a minimum spanning tree for a weighted undirected graph. This means it finds a subset of the edges that forms a tree that includes every vertex, where the total weight of all the edges in the tree is minimized. The algorithm operates by building this tree one vertex at a time, from an arbitrary starting vertex, at each step adding the cheapest possible connection from the tree to another vertex.

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