Partition coefficientIn the physical sciences, a partition coefficient (P) or distribution coefficient (D) is the ratio of concentrations of a compound in a mixture of two immiscible solvents at equilibrium. This ratio is therefore a comparison of the solubilities of the solute in these two liquids. The partition coefficient generally refers to the concentration ratio of un-ionized species of compound, whereas the distribution coefficient refers to the concentration ratio of all species of the compound (ionized plus un-ionized).
Heun's methodIn mathematics and computational science, Heun's method may refer to the improved or modified Euler's method (that is, the explicit trapezoidal rule), or a similar two-stage Runge–Kutta method. It is named after Karl Heun and is a numerical procedure for solving ordinary differential equations (ODEs) with a given initial value. Both variants can be seen as extensions of the Euler method into two-stage second-order Runge–Kutta methods.
Meshfree methodsIn the field of numerical analysis, meshfree methods are those that do not require connection between nodes of the simulation domain, i.e. a mesh, but are rather based on interaction of each node with all its neighbors. As a consequence, original extensive properties such as mass or kinetic energy are no longer assigned to mesh elements but rather to the single nodes. Meshfree methods enable the simulation of some otherwise difficult types of problems, at the cost of extra computing time and programming effort.
Jacobi methodIn numerical linear algebra, the Jacobi method (a.k.a. the Jacobi iteration method) is an iterative algorithm for determining the solutions of a strictly diagonally dominant system of linear equations. Each diagonal element is solved for, and an approximate value is plugged in. The process is then iterated until it converges. This algorithm is a stripped-down version of the Jacobi transformation method of matrix diagonalization. The method is named after Carl Gustav Jacob Jacobi.
Markov random fieldIn the domain of physics and probability, a Markov random field (MRF), Markov network or undirected graphical model is a set of random variables having a Markov property described by an undirected graph. In other words, a random field is said to be a Markov random field if it satisfies Markov properties. The concept originates from the Sherrington–Kirkpatrick model. A Markov network or MRF is similar to a Bayesian network in its representation of dependencies; the differences being that Bayesian networks are directed and acyclic, whereas Markov networks are undirected and may be cyclic.
Calculus of variationsThe calculus of variations (or variational calculus) is a field of mathematical analysis that uses variations, which are small changes in functions and functionals, to find maxima and minima of functionals: mappings from a set of functions to the real numbers. Functionals are often expressed as definite integrals involving functions and their derivatives. Functions that maximize or minimize functionals may be found using the Euler–Lagrange equation of the calculus of variations.
Rényi entropyIn information theory, the Rényi entropy is a quantity that generalizes various notions of entropy, including Hartley entropy, Shannon entropy, collision entropy, and min-entropy. The Rényi entropy is named after Alfréd Rényi, who looked for the most general way to quantify information while preserving additivity for independent events. In the context of fractal dimension estimation, the Rényi entropy forms the basis of the concept of generalized dimensions. The Rényi entropy is important in ecology and statistics as index of diversity.
Coefficient of variationIn probability theory and statistics, the coefficient of variation (COV), also known as Normalized Root-Mean-Square Deviation (NRMSD), Percent RMS, and relative standard deviation (RSD), is a standardized measure of dispersion of a probability distribution or frequency distribution. It is defined as the ratio of the standard deviation to the mean (or its absolute value, , and often expressed as a percentage ("%RSD"). The CV or RSD is widely used in analytical chemistry to express the precision and repeatability of an assay.
Variational principleIn science and especially in mathematical studies, a variational principle is one that enables a problem to be solved using calculus of variations, which concerns finding functions that optimize the values of quantities that depend on those functions. For example, the problem of determining the shape of a hanging chain suspended at both ends—a catenary—can be solved using variational calculus, and in this case, the variational principle is the following: The solution is a function that minimizes the gravitational potential energy of the chain.
Graph (discrete mathematics)In discrete mathematics, and more specifically in graph theory, a graph is a structure amounting to a set of objects in which some pairs of the objects are in some sense "related". The objects correspond to mathematical abstractions called vertices (also called nodes or points) and each of the related pairs of vertices is called an edge (also called link or line). Typically, a graph is depicted in diagrammatic form as a set of dots or circles for the vertices, joined by lines or curves for the edges.
Newton's methodIn numerical analysis, Newton's method, also known as the Newton–Raphson method, named after Isaac Newton and Joseph Raphson, is a root-finding algorithm which produces successively better approximations to the roots (or zeroes) of a real-valued function. The most basic version starts with a single-variable function f defined for a real variable x, the function's derivative f′, and an initial guess x0 for a root of f. If the function satisfies sufficient assumptions and the initial guess is close, then is a better approximation of the root than x0.
Direct method in the calculus of variationsIn mathematics, the direct method in the calculus of variations is a general method for constructing a proof of the existence of a minimizer for a given functional, introduced by Stanisław Zaremba and David Hilbert around 1900. The method relies on methods of functional analysis and topology. As well as being used to prove the existence of a solution, direct methods may be used to compute the solution to desired accuracy. The calculus of variations deals with functionals , where is some function space and .
