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Gram quadrature: numerical integration with Gram polynomials

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 Added by Irfan Muhammad
 Publication date 2021
and research's language is English




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The numerical integration of an analytical function $f(x)$ using a finite set of equidistant points can be performed by quadrature formulas like the Newton-Cotes. Unlike Gaussian quadrature formulas however, higher-order Newton-Cotes formulas are not stable, limiting the usable order of such formulas. Existing work showed that by the use of orthogonal polynomials, stable high-order quadrature formulas with equidistant points can be developed. We improve upon such work by making use of (orthogonal) Gram polynomials and deriving an iterative algorithm, together allowing us to reduce the space-complexity of the original algorithm significantly.



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The parallel strong-scaling of Krylov iterative methods is largely determined by the number of global reductions required at each iteration. The GMRES and Krylov-Schur algorithms employ the Arnoldi algorithm for nonsymmetric matrices. The underlying orthogonalization scheme is left-looking and processes one column at a time. Thus, at least one global reduction is required per iteration. The traditional algorithm for generating the orthogonal Krylov basis vectors for the Krylov-Schur algorithm is classical Gram Schmidt applied twice with reorthogonalization (CGS2), requiring three global reductions per step. A new variant of CGS2 that requires only one reduction per iteration is applied to the Arnoldi-QR iteration. Strong-scaling results are presented for finding eigenvalue-pairs of nonsymmetric matrices. A preliminary attempt to derive a similar algorithm (one reduction per Arnoldi iteration with a robust orthogonalization scheme) was presented by Hernandez et al.(2007). Unlike our approach, their method is not forward stable for eigenvalues.
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A t by n random matrix A is formed by sampling n independent random column vectors, each containing t components. The random Gram matrix of size n, G_n, contains the dot products between all pairs of column vectors in the randomly generated matrix A; that is, G_n = transpose(A) A. The matrix G_n has characteristic roots coinciding with the singular values of A. Furthermore, the sequences det(G_i) and per(G_i) (for i = 0, 1, ..., n) are factors that comprise the expected coefficients of the characteristic and permanental polynomials of G_n. We prove theorems that relate the generating functions and recursions for the traces of matrix powers, expected characteristic coefficients, expected determinants E(det(G_n)), and expected permanents E(per(G_n)) in terms of each other. Using the derived recursions, we exhibit the efficient computation of the expected determinant and expected permanent of a random Gram matrix G_n, formed according to any underlying distribution. These theoretical results may be used both to speed up numerical algorithms and to investigate the numerical properties of the expected characteristic and permanental coefficients of any matrix comprised of independently sampled columns.
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