Metropolis-adjusted Langevin Algorithm
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Metropolis-adjusted Langevin Algorithm
In computational statistics, the Metropolis-adjusted Langevin algorithm (MALA) or Langevin Monte Carlo (LMC) is a Markov chain Monte Carlo (MCMC) method for obtaining random samples – sequences of random observations – from a probability distribution for which direct sampling is difficult. As the name suggests, MALA uses a combination of two mechanisms to generate the states of a random walk that has the target probability distribution as an invariant measure: * new states are proposed using (overdamped) Langevin dynamics, which use evaluations of the gradient of the target probability density function; * these proposals are accepted or rejected using the Metropolis–Hastings algorithm, which uses evaluations of the target probability density (but not its gradient). Informally, the Langevin dynamics drive the random walk towards regions of high probability in the manner of a gradient flow, while the Metropolis–Hastings accept/reject mechanism improves the mixing and converge ...
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Computational Statistics
Computational statistics, or statistical computing, is the bond between statistics and computer science. It means statistical methods that are enabled by using computational methods. It is the area of computational science (or scientific computing) specific to the mathematical science of statistics. This area is also developing rapidly, leading to calls that a broader concept of computing should be taught as part of general statistical education. As in traditional statistics the goal is to transform raw data into knowledge, Wegman, Edward J. Computational Statistics: A New Agenda for Statistical Theory and Practice. Journal of the Washington Academy of Sciences', vol. 78, no. 4, 1988, pp. 310–322. ''JSTOR'' but the focus lies on computer intensive statistical methods, such as cases with very large sample size and non-homogeneous data sets. The terms 'computational statistics' and 'statistical computing' are often used interchangeably, although Carlo Lauro (a former presid ...
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Manifold
In mathematics, a manifold is a topological space that locally resembles Euclidean space near each point. More precisely, an n-dimensional manifold, or ''n-manifold'' for short, is a topological space with the property that each point has a neighborhood that is homeomorphic to an open subset of n-dimensional Euclidean space. One-dimensional manifolds include lines and circles, but not lemniscates. Two-dimensional manifolds are also called surfaces. Examples include the plane, the sphere, and the torus, and also the Klein bottle and real projective plane. The concept of a manifold is central to many parts of geometry and modern mathematical physics because it allows complicated structures to be described in terms of well-understood topological properties of simpler spaces. Manifolds naturally arise as solution sets of systems of equations and as graphs of functions. The concept has applications in computer-graphics given the need to associate pictures with coordinates (e.g ...
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Preconditioning
In mathematics, preconditioning is the application of a transformation, called the preconditioner, that conditions a given problem into a form that is more suitable for numerical solving methods. Preconditioning is typically related to reducing a condition number of the problem. The preconditioned problem is then usually solved by an iterative method. Preconditioning for linear systems In linear algebra and numerical analysis, a preconditioner P of a matrix A is a matrix such that P^A has a smaller condition number than A. It is also common to call T=P^ the preconditioner, rather than P, since P itself is rarely explicitly available. In modern preconditioning, the application of T=P^, i.e., multiplication of a column vector, or a block of column vectors, by T=P^, is commonly performed in a matrix-free fashion, i.e., where neither P, nor T=P^ (and often not even A) are explicitly available in a matrix form. Preconditioners are useful in iterative methods to solve a linear ...
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Isotropy
Isotropy is uniformity in all orientations; it is derived . Precise definitions depend on the subject area. Exceptions, or inequalities, are frequently indicated by the prefix ' or ', hence ''anisotropy''. ''Anisotropy'' is also used to describe situations where properties vary systematically, dependent on direction. Isotropic radiation has the same intensity regardless of the direction of measurement, and an isotropic field exerts the same action regardless of how the test particle is oriented. Mathematics Within mathematics, ''isotropy'' has a few different meanings: ; Isotropic manifolds: A manifold is isotropic if the geometry on the manifold is the same regardless of direction. A similar concept is homogeneity. ; Isotropic quadratic form: A quadratic form ''q'' is said to be isotropic if there is a non-zero vector ''v'' such that ; such a ''v'' is an isotropic vector or null vector. In complex geometry, a line through the origin in the direction of an isotropic vector is a ...
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Detailed Balance
The principle of detailed balance can be used in kinetic systems which are decomposed into elementary processes (collisions, or steps, or elementary reactions). It states that at equilibrium, each elementary process is in equilibrium with its reverse process. History The principle of detailed balance was explicitly introduced for collisions by Ludwig Boltzmann. In 1872, he proved his H-theorem using this principle.Boltzmann, L. (1964), Lectures on gas theory, Berkeley, CA, USA: U. of California Press. The arguments in favor of this property are founded upon microscopic reversibility. Tolman, R. C. (1938). ''The Principles of Statistical Mechanics''. Oxford University Press, London, UK. Five years before Boltzmann, James Clerk Maxwell used the principle of detailed balance for gas kinetics with the reference to the principle of sufficient reason. He compared the idea of detailed balance with other types of balancing (like cyclic balance) and found that "Now it is impossible to as ...
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Continuous Uniform Distribution
In probability theory and statistics, the continuous uniform distribution or rectangular distribution is a family of symmetric probability distributions. The distribution describes an experiment where there is an arbitrary outcome that lies between certain bounds. The bounds are defined by the parameters, ''a'' and ''b'', which are the minimum and maximum values. The interval can either be closed (e.g. , b or open (e.g. (a, b)). Therefore, the distribution is often abbreviated ''U'' (''a'', ''b''), where U stands for uniform distribution. The difference between the bounds defines the interval length; all intervals of the same length on the distribution's support are equally probable. It is the maximum entropy probability distribution for a random variable ''X'' under no constraint other than that it is contained in the distribution's support. Definitions Probability density function The probability density function of the continuous uniform distribution is: : f(x)=\begin ...
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Identity Matrix
In linear algebra, the identity matrix of size n is the n\times n square matrix with ones on the main diagonal and zeros elsewhere. Terminology and notation The identity matrix is often denoted by I_n, or simply by I if the size is immaterial or can be trivially determined by the context. I_1 = \begin 1 \end ,\ I_2 = \begin 1 & 0 \\ 0 & 1 \end ,\ I_3 = \begin 1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1 \end ,\ \dots ,\ I_n = \begin 1 & 0 & 0 & \cdots & 0 \\ 0 & 1 & 0 & \cdots & 0 \\ 0 & 0 & 1 & \cdots & 0 \\ \vdots & \vdots & \vdots & \ddots & \vdots \\ 0 & 0 & 0 & \cdots & 1 \end. The term unit matrix has also been widely used, but the term ''identity matrix'' is now standard. The term ''unit matrix'' is ambiguous, because it is also used for a matrix of ones and for any unit of the ring of all n\times n matrices. In some fields, such as group theory or quantum mechanics, the identity matrix is sometimes denoted by a boldface one, \mathbf, or called "id" (short for identity). ...
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Covariance Matrix
In probability theory and statistics, a covariance matrix (also known as auto-covariance matrix, dispersion matrix, variance matrix, or variance–covariance matrix) is a square matrix giving the covariance between each pair of elements of a given random vector. Any covariance matrix is symmetric and positive semi-definite and its main diagonal contains variances (i.e., the covariance of each element with itself). Intuitively, the covariance matrix generalizes the notion of variance to multiple dimensions. As an example, the variation in a collection of random points in two-dimensional space cannot be characterized fully by a single number, nor would the variances in the x and y directions contain all of the necessary information; a 2 \times 2 matrix would be necessary to fully characterize the two-dimensional variation. The covariance matrix of a random vector \mathbf is typically denoted by \operatorname_ or \Sigma. Definition Throughout this article, boldfaced unsubsc ...
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Expected Value
In probability theory, the expected value (also called expectation, expectancy, mathematical expectation, mean, average, or first moment) is a generalization of the weighted average. Informally, the expected value is the arithmetic mean of a large number of independently selected outcomes of a random variable. The expected value of a random variable with a finite number of outcomes is a weighted average of all possible outcomes. In the case of a continuum of possible outcomes, the expectation is defined by integration. In the axiomatic foundation for probability provided by measure theory, the expectation is given by Lebesgue integration. The expected value of a random variable is often denoted by , , or , with also often stylized as or \mathbb. History The idea of the expected value originated in the middle of the 17th century from the study of the so-called problem of points, which seeks to divide the stakes ''in a fair way'' between two players, who have to end th ...
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Multivariate Normal Distribution
In probability theory and statistics, the multivariate normal distribution, multivariate Gaussian distribution, or joint normal distribution is a generalization of the one-dimensional (univariate) normal distribution to higher dimensions. One definition is that a random vector is said to be ''k''-variate normally distributed if every linear combination of its ''k'' components has a univariate normal distribution. Its importance derives mainly from the multivariate central limit theorem. The multivariate normal distribution is often used to describe, at least approximately, any set of (possibly) correlated real-valued random variables each of which clusters around a mean value. Definitions Notation and parameterization The multivariate normal distribution of a ''k''-dimensional random vector \mathbf = (X_1,\ldots,X_k)^ can be written in the following notation: : \mathbf\ \sim\ \mathcal(\boldsymbol\mu,\, \boldsymbol\Sigma), or to make it explicitly known that ''X'' i ...
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Euler–Maruyama Method
In Itô calculus, the Euler–Maruyama method (also called the Euler method) is a method for the approximate numerical solution of a stochastic differential equation (SDE). It is an extension of the Euler method for ordinary differential equations to stochastic differential equations. It is named after Leonhard Euler and Gisiro Maruyama. Unfortunately, the same generalization cannot be done for any arbitrary deterministic method. Consider the stochastic differential equation (see Itô calculus) :\mathrm X_t = a(X_t, t) \, \mathrm t + b(X_t, t) \, \mathrm W_t, with initial condition ''X''0 = ''x''0, where ''W''''t'' stands for the Wiener process, and suppose that we wish to solve this SDE on some interval of time , ''T'' Then the Euler–Maruyama approximation to the true solution ''X'' is the Markov chain ''Y'' defined as follows: * partition the interval , ''T''into ''N'' equal subintervals of width \Delta t>0: ::0 = \tau_ float: """ Sample a ra ...
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Brownian Motion
Brownian motion, or pedesis (from grc, πήδησις "leaping"), is the random motion of particles suspended in a medium (a liquid or a gas). This pattern of motion typically consists of random fluctuations in a particle's position inside a fluid sub-domain, followed by a relocation to another sub-domain. Each relocation is followed by more fluctuations within the new closed volume. This pattern describes a fluid at thermal equilibrium, defined by a given temperature. Within such a fluid, there exists no preferential direction of flow (as in transport phenomena). More specifically, the fluid's overall linear and angular momenta remain null over time. The kinetic energies of the molecular Brownian motions, together with those of molecular rotations and vibrations, sum up to the caloric component of a fluid's internal energy (the equipartition theorem). This motion is named after the botanist Robert Brown, who first described the phenomenon in 1827, while looking throu ...
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