Representation theoryRepresentation theory is a branch of mathematics that studies abstract algebraic structures by representing their elements as linear transformations of vector spaces, and studies modules over these abstract algebraic structures. In essence, a representation makes an abstract algebraic object more concrete by describing its elements by matrices and their algebraic operations (for example, matrix addition, matrix multiplication).
Floating-point arithmeticIn computing, floating-point arithmetic (FP) is arithmetic that represents subsets of real numbers using an integer with a fixed precision, called the significand, scaled by an integer exponent of a fixed base. Numbers of this form are called floating-point numbers. For example, 12.345 is a floating-point number in base ten with five digits of precision: However, unlike 12.345, 12.3456 is not a floating-point number in base ten with five digits of precision—it needs six digits of precision; the nearest floating-point number with only five digits is 12.
ExtrapolationIn mathematics, extrapolation is a type of estimation, beyond the original observation range, of the value of a variable on the basis of its relationship with another variable. It is similar to interpolation, which produces estimates between known observations, but extrapolation is subject to greater uncertainty and a higher risk of producing meaningless results. Extrapolation may also mean extension of a method, assuming similar methods will be applicable.
Group representationIn the mathematical field of representation theory, group representations describe abstract groups in terms of bijective linear transformations of a vector space to itself (i.e. vector space automorphisms); in particular, they can be used to represent group elements as invertible matrices so that the group operation can be represented by matrix multiplication. In chemistry, a group representation can relate mathematical group elements to symmetric rotations and reflections of molecules.
Irreducible representationIn mathematics, specifically in the representation theory of groups and algebras, an irreducible representation or irrep of an algebraic structure is a nonzero representation that has no proper nontrivial subrepresentation , with closed under the action of . Every finite-dimensional unitary representation on a Hilbert space is the direct sum of irreducible representations. Irreducible representations are always indecomposable (i.e. cannot be decomposed further into a direct sum of representations), but the converse may not hold, e.
Least squaresThe method of least squares is a standard approach in regression analysis to approximate the solution of overdetermined systems (sets of equations in which there are more equations than unknowns) by minimizing the sum of the squares of the residuals (a residual being the difference between an observed value and the fitted value provided by a model) made in the results of each individual equation. The most important application is in data fitting.
Single-precision floating-point formatSingle-precision floating-point format (sometimes called FP32 or float32) is a computer number format, usually occupying 32 bits in computer memory; it represents a wide dynamic range of numeric values by using a floating radix point. A floating-point variable can represent a wider range of numbers than a fixed-point variable of the same bit width at the cost of precision. A signed 32-bit integer variable has a maximum value of 231 − 1 = 2,147,483,647, whereas an IEEE 754 32-bit base-2 floating-point variable has a maximum value of (2 − 2−23) × 2127 ≈ 3.
Richardson extrapolationIn numerical analysis, Richardson extrapolation is a sequence acceleration method used to improve the rate of convergence of a sequence of estimates of some value . In essence, given the value of for several values of , we can estimate by extrapolating the estimates to . It is named after Lewis Fry Richardson, who introduced the technique in the early 20th century, though the idea was already known to Christiaan Huygens in his calculation of π. In the words of Birkhoff and Rota, "its usefulness for practical computations can hardly be overestimated.
Curve fittingCurve fitting is the process of constructing a curve, or mathematical function, that has the best fit to a series of data points, possibly subject to constraints. Curve fitting can involve either interpolation, where an exact fit to the data is required, or smoothing, in which a "smooth" function is constructed that approximately fits the data. A related topic is regression analysis, which focuses more on questions of statistical inference such as how much uncertainty is present in a curve that is fit to data observed with random errors.
Linear least squaresLinear least squares (LLS) is the least squares approximation of linear functions to data. It is a set of formulations for solving statistical problems involved in linear regression, including variants for ordinary (unweighted), weighted, and generalized (correlated) residuals. Numerical methods for linear least squares include inverting the matrix of the normal equations and orthogonal decomposition methods. The three main linear least squares formulations are: Ordinary least squares (OLS) is the most common estimator.