Lecture

Iterative Methods for Linear Equations

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In course

PHYS-332: Computational physics III

This course teaches the students practical skills needed for solving modern physics problems by means of computation. A number of examples illustrate the utility of numerical computations in various domains of physics. ...

Description

This lecture covers iterative methods for solving systems of linear equations, including Jacobi and Gauss-Seidel methods, steepest descent, conjugate gradient method, and decomposition methods. It explains convergence criteria based on residue and increment, and the properties of Jacobi and Gauss-Seidel methods. The lecture also discusses the gradient of quadratic forms, convergence properties, and the conjugate gradient idea. Additionally, it explores the conjugate gradient algorithm, improving steepest descent, and the convergence of the conjugate gradient method. Finally, it touches on classical force fields and potential energy surfaces in complex atomistic systems, emphasizing the relevance of minima in the potential energy.

Official source

Ontological neighbourhood

Mathematics

Algebra: Linear algebra

Related concepts (32)

Quadratic form

In mathematics, a quadratic form is a polynomial with terms all of degree two ("form" is another name for a homogeneous polynomial). For example, is a quadratic form in the variables x and y. The coefficients usually belong to a fixed field K, such as the real or complex numbers, and one speaks of a quadratic form over K. If , and the quadratic form equals zero only when all variables are simultaneously zero, then it is a definite quadratic form; otherwise it is an isotropic quadratic form.

Cholesky decomposition

In linear algebra, the Cholesky decomposition or Cholesky factorization (pronounced ʃəˈlɛski ) is a decomposition of a Hermitian, positive-definite matrix into the product of a lower triangular matrix and its conjugate transpose, which is useful for efficient numerical solutions, e.g., Monte Carlo simulations. It was discovered by André-Louis Cholesky for real matrices, and posthumously published in 1924. When it is applicable, the Cholesky decomposition is roughly twice as efficient as the LU decomposition for solving systems of linear equations.

QR decomposition

In linear algebra, a QR decomposition, also known as a QR factorization or QU factorization, is a decomposition of a matrix A into a product A = QR of an orthonormal matrix Q and an upper triangular matrix R. QR decomposition is often used to solve the linear least squares problem and is the basis for a particular eigenvalue algorithm, the QR algorithm. Any real square matrix A may be decomposed as where Q is an orthogonal matrix (its columns are orthogonal unit vectors meaning ) and R is an upper triangular matrix (also called right triangular matrix).

LU decomposition

In numerical analysis and linear algebra, lower–upper (LU) decomposition or factorization factors a matrix as the product of a lower triangular matrix and an upper triangular matrix (see matrix decomposition). The product sometimes includes a permutation matrix as well. LU decomposition can be viewed as the matrix form of Gaussian elimination. Computers usually solve square systems of linear equations using LU decomposition, and it is also a key step when inverting a matrix or computing the determinant of a matrix.

Conjugate gradient method

In mathematics, the conjugate gradient method is an algorithm for the numerical solution of particular systems of linear equations, namely those whose matrix is positive-definite. The conjugate gradient method is often implemented as an iterative algorithm, applicable to sparse systems that are too large to be handled by a direct implementation or other direct methods such as the Cholesky decomposition. Large sparse systems often arise when numerically solving partial differential equations or optimization problems.

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