NAMar 18, 2012
Decay properties of spectral projectors with applications to electronic structureMichele Benzi, Paola Boito, Nader Razouk
Motivated by applications in quantum chemistry and solid state physics, we apply general results from approximation theory and matrix analysis to the study of the decay properties of spectral projectors associated with large and sparse Hermitian matrices. Our theory leads to a rigorous proof of the exponential off-diagonal decay ("nearsightedness") for the density matrix of gapped systems at zero electronic temperature in both orthogonal and non-orthogonal representations, thus providing a firm theoretical basis for the possibility of linear scaling methods in electronic structure calculations for non-metallic systems. We further discuss the case of density matrices for metallic systems at positive electronic temperature. A few other possible applications are also discussed.
NAMar 23, 2017
A Real QZ Algorithm for Structured Companion PencilsPaola Boito, Yuli Eidelman, Luca Gemignani
We design a fast implicit real QZ algorithm for eigenvalue computation of structured companion pencils arising from linearizations of polynomial rootfinding problems. The modified QZ algorithm computes the generalized eigenvalues of an $N\times N$ structured matrix pencil using $O(N)$ flops per iteration and $O(N)$ memory storage. Numerical experiments and comparisons confirm the effectiveness and the stability of the proposed method.
37.3QUANT-PHMar 19
Quantum block encoding for semiseparable matricesGiacomo Antonioli, Paola Boito, Gianna M. Del Corso et al.
Quantum block encoding (QBE) is a crucial step in the development of most quantum algorithms, as it provides an embedding of a given matrix into a suitable larger unitary matrix. Historically, the development of efficient techniques for QBE has mostly focused on sparse matrices; less effort has been devoted to data-sparse (e.g., rank-structured) matrices. In this work we examine a particular case of rank structure, namely, one-pair semiseparable matrices. We present a new block encoding approach that relies on a suitable factorization of the given matrix as the product of triangular and diagonal factors. To encode the matrix, the algorithm needs $2\log(N)+7$ ancillary qubits. This process takes polylogarithmic time and has an error of $\mathcal{O}(N^2)$, where $N$ is the matrix size.
NAAug 4, 2017
Efficient Solution of Parameter Dependent Quasiseparable Systems and Computation of Meromorphic Matrix FunctionsPaola Boito, Yuli Eidelman, Luca Gemignani
In this paper we focus on the solution of shifted quasiseparable systems and of more general parameter dependent matrix equations with quasiseparable representations. We propose an efficient algorithm exploiting the invariance of the quasiseparable structure under diagonal shifting and inversion. This algorithm is applied to compute various functions of matrices. Numerical experiments show that this approach is fast and numerically robust.
NAOct 8, 2014
Implicit QR for Companion-like PencilsPaola Boito, Yuli Eidelman, Luca Gemignani
A fast implicit QR algorithm for eigenvalue computation of low rank corrections of unitary matrices is adjusted to work with matrix pencils arising from polynomial zerofinding problems . The modified QZ algorithm computes the generalized eigenvalues of certain NxN rank structured matrix pencils using O(N^2) ops and O(N) memory storage. Numerical experiments and comparisons confirm the effectiveness and the stability of the proposed method.