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Orthogonalization
In linear algebra, orthogonalization is the process of finding a set of orthogonal vectors that span a particular subspace. Formally, starting with a linearly independent set of vectors in an inner product space (most commonly the Euclidean space R''n''), orthogonalization results in a set of orthogonal vectors that generate the same subspace as the vectors ''v''1, ... , ''v''''k''. Every vector in the new set is orthogonal to every other vector in the new set; and the new set and the old set have the same linear span. In addition, if we want the resulting vectors to all be unit vectors, then we normalize each vector and the procedure is called orthonormalization. Orthogonalization is also possible with respect to any symmetric bilinear form (not necessarily an inner product, not necessarily over real numbers), but standard algorithms may encounter division by zero in this more general setting. Orthogonalization algorithms Methods for performing orthogonaliz ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gram–Schmidt Process
In mathematics, particularly linear algebra and numerical analysis, the Gram–Schmidt process is a method for orthonormalizing a set of vectors in an inner product space, most commonly the Euclidean space equipped with the standard inner product. The Gram–Schmidt process takes a finite, linearly independent set of vectors for and generates an orthogonal set that spans the same ''k''-dimensional subspace of R''n'' as ''S''. The method is named after Jørgen Pedersen Gram and Erhard Schmidt, but Pierre-Simon Laplace had been familiar with it before Gram and Schmidt. In the theory of Lie group decompositions it is generalized by the Iwasawa decomposition. The application of the Gram–Schmidt process to the column vectors of a full column rank matrix yields the QR decomposition (it is decomposed into an orthogonal and a triangular matrix). The Gram–Schmidt process We define the projection operator by \operatorname_ (\mathbf) = \frac , where \langle \mathbf, \mat ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Biorthogonal System
In mathematics, a biorthogonal system is a pair of indexed families of vectors \tilde v_i \text E \text \tilde u_i \text F such that \left\langle\tilde v_i , \tilde u_j\right\rangle = \delta_, where E and F form a pair of topological vector spaces that are in duality, \langle \,\cdot, \cdot\, \rangle is a bilinear mapping and \delta_ is the Kronecker delta. An example is the pair of sets of respectively left and right eigenvectors of a matrix, indexed by eigenvalue, if the eigenvalues are distinct. A biorthogonal system in which E = F and \tilde v_i = \tilde u_i is an orthonormal system. Projection Related to a biorthogonal system is the projection P := \sum_ \tilde u_i \otimes \tilde v_i, where (u \otimes v) (x) := u \langle v, x \rangle; its image is the linear span of \left\, and the kernel Kernel may refer to: Computing * Kernel (operating system), the central component of most operating systems * Kernel (image processing), a matrix used for image convolution * Compute ke ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Per-Olov Löwdin
Per-Olov Löwdin (October 28, 1916 – October 6, 2000) was a Swedish physicist, professor at the University of Uppsala from 1960 to 1983, and in parallel at the University of Florida until 1993. A former graduate student under Ivar Waller, Löwdin formulated in 1950 the symmetric orthogonalization scheme for atomic and molecular orbital calculations, greatly simplifying the tight-binding method. This scheme is the basis of the zero-differential overlap (ZDO) approximation used in semiempirical theories. In 1956 he introduced the canonical orthogonalization scheme, which is optimal for eliminating approximate linear dependencies of a basis set. These orthogonalization procedures are widely used today in all modern quantum chemistry calculations. He is also credited with the use of fat symbols for matrices, making easy the derivation of several theorems of quantum mechanics. The famous 'Löwdin's pairing theorem' used in restricted open-shell Hartree–Fock (ROHF), unrestricted H ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Singular Value Decomposition
In linear algebra, the singular value decomposition (SVD) is a factorization of a real or complex matrix. It generalizes the eigendecomposition of a square normal matrix with an orthonormal eigenbasis to any \ m \times n\ matrix. It is related to the polar decomposition. Specifically, the singular value decomposition of an \ m \times n\ complex matrix is a factorization of the form \ \mathbf = \mathbf\ , where is an \ m \times m\ complex unitary matrix, \ \mathbf\ is an \ m \times n\ rectangular diagonal matrix with non-negative real numbers on the diagonal, is an n \times n complex unitary matrix, and \ \mathbf\ is the conjugate transpose of . Such decomposition always exists for any complex matrix. If is real, then and can be guaranteed to be real orthogonal matrices; in such contexts, the SVD is often denoted \ \mathbf^\mathsf\ . The diagonal entries \ \sigma_i = \Sigma_\ of \ \mathbf\ are uniquely determined by and are known as the singular values of . The n ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Projection (linear Algebra)
In linear algebra and functional analysis, a projection is a linear transformation P from a vector space to itself (an endomorphism) such that P\circ P=P. That is, whenever P is applied twice to any vector, it gives the same result as if it were applied once (i.e. P is idempotent). It leaves its image unchanged. This definition of "projection" formalizes and generalizes the idea of graphical projection. One can also consider the effect of a projection on a geometrical object by examining the effect of the projection on points in the object. Definitions A projection on a vector space V is a linear operator P : V \to V such that P^2 = P. When V has an inner product and is complete (i.e. when V is a Hilbert space) the concept of orthogonality can be used. A projection P on a Hilbert space V is called an orthogonal projection if it satisfies \langle P \mathbf x, \mathbf y \rangle = \langle \mathbf x, P \mathbf y \rangle for all \mathbf x, \mathbf y \in V. A projection on a Hilbert ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Linear Algebra
Linear algebra is the branch of mathematics concerning linear equations such as: :a_1x_1+\cdots +a_nx_n=b, linear maps such as: :(x_1, \ldots, x_n) \mapsto a_1x_1+\cdots +a_nx_n, and their representations in vector spaces and through matrices. Linear algebra is central to almost all areas of mathematics. For instance, linear algebra is fundamental in modern presentations of geometry, including for defining basic objects such as lines, planes and rotations. Also, functional analysis, a branch of mathematical analysis, may be viewed as the application of linear algebra to spaces of functions. Linear algebra is also used in most sciences and fields of engineering, because it allows modeling many natural phenomena, and computing efficiently with such models. For nonlinear systems, which cannot be modeled with linear algebra, it is often used for dealing with first-order approximations, using the fact that the differential of a multivariate function at a point is the linear ma ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Parallel Computing
Parallel computing is a type of computation in which many calculations or processes are carried out simultaneously. Large problems can often be divided into smaller ones, which can then be solved at the same time. There are several different forms of parallel computing: bit-level, instruction-level, data, and task parallelism. Parallelism has long been employed in high-performance computing, but has gained broader interest due to the physical constraints preventing frequency scaling.S.V. Adve ''et al.'' (November 2008)"Parallel Computing Research at Illinois: The UPCRC Agenda" (PDF). Parallel@Illinois, University of Illinois at Urbana-Champaign. "The main techniques for these performance benefits—increased clock frequency and smarter but increasingly complex architectures—are now hitting the so-called power wall. The computer industry has accepted that future performance increases must largely come from increasing the number of processors (or cores) on a die, rather than m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Arnoldi Iteration
In numerical linear algebra, the Arnoldi iteration is an eigenvalue algorithm and an important example of an iterative method. Arnoldi finds an approximation to the eigenvalues and eigenvectors of general (possibly non-Hermitian) matrices by constructing an orthonormal basis of the Krylov subspace, which makes it particularly useful when dealing with large sparse matrices. The Arnoldi method belongs to a class of linear algebra algorithms that give a partial result after a small number of iterations, in contrast to so-called ''direct methods'' which must complete to give any useful results (see for example, Householder transformation). The partial result in this case being the first few vectors of the basis the algorithm is building. When applied to Hermitian matrices it reduces to the Lanczos algorithm. The Arnoldi iteration was invented by W. E. Arnoldi in 1951. Krylov subspaces and the power iteration An intuitive method for finding the largest (in absolute value) eigenvalu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Iterative Method
In computational mathematics, an iterative method is a Algorithm, mathematical procedure that uses an initial value to generate a sequence of improving approximate solutions for a class of problems, in which the ''n''-th approximation is derived from the previous ones. A specific implementation of an iterative method, including the Algorithm#Termination, termination criteria, is an algorithm of the iterative method. An iterative method is called convergent if the corresponding sequence converges for given initial approximations. A mathematically rigorous convergence analysis of an iterative method is usually performed; however, heuristic-based iterative methods are also common. In contrast, direct methods attempt to solve the problem by a finite sequence of operations. In the absence of rounding errors, direct methods would deliver an exact solution (for example, solving a linear system of equations A\mathbf=\mathbf by Gaussian elimination). Iterative methods are often the only cho ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Numerical Stability
In the mathematical subfield of numerical analysis, numerical stability is a generally desirable property of numerical algorithms. The precise definition of stability depends on the context. One is numerical linear algebra and the other is algorithms for solving ordinary and partial differential equations by discrete approximation. In numerical linear algebra, the principal concern is instabilities caused by proximity to singularities of various kinds, such as very small or nearly colliding eigenvalues. On the other hand, in numerical algorithms for differential equations the concern is the growth of round-off errors and/or small fluctuations in initial data which might cause a large deviation of final answer from the exact solution. Some numerical algorithms may damp out the small fluctuations (errors) in the input data; others might magnify such errors. Calculations that can be proven not to magnify approximation errors are called ''numerically stable''. One of the common task ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Givens Rotation
In numerical linear algebra, a Givens rotation is a rotation in the plane spanned by two coordinates axes. Givens rotations are named after Wallace Givens, who introduced them to numerical analysts in the 1950s while he was working at Argonne National Laboratory. Matrix representation A Givens rotation is represented by a matrix of the form :G(i, j, \theta) = \begin 1 & \cdots & 0 & \cdots & 0 & \cdots & 0 \\ \vdots & \ddots & \vdots & & \vdots & & \vdots \\ 0 & \cdots & c & \cdots & -s & \cdots & 0 \\ \vdots & & \vdots & \ddots & \vdots & & \vdots \\ 0 & \cdots & s & \cdots & c & \cdots & 0 \\ \vdots & & \vdots & & \vdots & \ddots & \vdots \\ 0 & \cdots & 0 & \cdots & 0 & \cdots & 1 \end, where and appear at the int ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Reflection (mathematics)
In mathematics, a reflection (also spelled reflexion) is a mapping from a Euclidean space to itself that is an isometry with a hyperplane as a set of fixed points; this set is called the axis (in dimension 2) or plane (in dimension 3) of reflection. The image of a figure by a reflection is its mirror image in the axis or plane of reflection. For example the mirror image of the small Latin letter p for a reflection with respect to a vertical axis would look like q. Its image by reflection in a horizontal axis would look like b. A reflection is an involution: when applied twice in succession, every point returns to its original location, and every geometrical object is restored to its original state. The term ''reflection'' is sometimes used for a larger class of mappings from a Euclidean space to itself, namely the non-identity isometries that are involutions. Such isometries have a set of fixed points (the "mirror") that is an affine subspace, but is possibly smaller than a hy ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
