Numerical methods for linear least squaresNumerical methods for linear least squares entails the numerical analysis of linear least squares problems. A general approach to the least squares problem can be described as follows. Suppose that we can find an n by m matrix S such that XS is an orthogonal projection onto the image of X. Then a solution to our minimization problem is given by simply because is exactly a sought for orthogonal projection of onto an image of X (see the picture below and note that as explained in the next section the image of X is just a subspace generated by column vectors of X).
IntegralIn mathematics, an integral is the continuous analog of a sum, which is used to calculate areas, volumes, and their generalizations. Integration, the process of computing an integral, is one of the two fundamental operations of calculus, the other being differentiation. Integration started as a method to solve problems in mathematics and physics, such as finding the area under a curve, or determining displacement from velocity. Today integration is used in a wide variety of scientific fields.
Numerical stabilityIn 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.
Sampling distributionIn statistics, a sampling distribution or finite-sample distribution is the probability distribution of a given random-sample-based statistic. If an arbitrarily large number of samples, each involving multiple observations (data points), were separately used in order to compute one value of a statistic (such as, for example, the sample mean or sample variance) for each sample, then the sampling distribution is the probability distribution of the values that the statistic takes on.
CorrelationIn statistics, correlation or dependence is any statistical relationship, whether causal or not, between two random variables or bivariate data. Although in the broadest sense, "correlation" may indicate any type of association, in statistics it usually refers to the degree to which a pair of variables are linearly related. Familiar examples of dependent phenomena include the correlation between the height of parents and their offspring, and the correlation between the price of a good and the quantity the consumers are willing to purchase, as it is depicted in the so-called demand curve.
VarianceIn probability theory and statistics, variance is the squared deviation from the mean of a random variable. The variance is also often defined as the square of the standard deviation. Variance is a measure of dispersion, meaning it is a measure of how far a set of numbers is spread out from their average value. It is the second central moment of a distribution, and the covariance of the random variable with itself, and it is often represented by , , , , or .
Normally distributed and uncorrelated does not imply independentIn probability theory, although simple examples illustrate that linear uncorrelatedness of two random variables does not in general imply their independence, it is sometimes mistakenly thought that it does imply that when the two random variables are normally distributed. This article demonstrates that assumption of normal distributions does not have that consequence, although the multivariate normal distribution, including the bivariate normal distribution, does.
Riemann sumIn mathematics, a Riemann sum is a certain kind of approximation of an integral by a finite sum. It is named after nineteenth century German mathematician Bernhard Riemann. One very common application is approximating the area of functions or lines on a graph, but also the length of curves and other approximations. The sum is calculated by partitioning the region into shapes (rectangles, trapezoids, parabolas, or cubics) that together form a region that is similar to the region being measured, then calculating the area for each of these shapes, and finally adding all of these small areas together.
Roadrunner (supercomputer)Roadrunner was a supercomputer built by IBM for the Los Alamos National Laboratory in New Mexico, USA. The US$100-million Roadrunner was designed for a peak performance of 1.7 petaflops. It achieved 1.026 petaflops on May 25, 2008, to become the world's first TOP500 LINPACK sustained 1.0 petaflops system. In November 2008, it reached a top performance of 1.456 petaFLOPS, retaining its top spot in the TOP500 list. It was also the fourth-most energy-efficient supercomputer in the world on the Supermicro Green500 list, with an operational rate of 444.
TOP500The TOP500 project ranks and details the 500 most powerful non-distributed computer systems in the world. The project was started in 1993 and publishes an updated list of the supercomputers twice a year. The first of these updates always coincides with the International Supercomputing Conference in June, and the second is presented at the ACM/IEEE Supercomputing Conference in November.
Error functionIn mathematics, the error function (also called the Gauss error function), often denoted by erf, is a complex function of a complex variable defined as: Some authors define without the factor of . This nonelementary integral is a sigmoid function that occurs often in probability, statistics, and partial differential equations. In many of these applications, the function argument is a real number. If the function argument is real, then the function value is also real.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
