Eric Polizzi

Edoardo Di Napoli, Eric Polizzi, Yousef Saad

Estimating the number of eigenvalues located in a given interval of a large sparse Hermitian matrix is an important problem in certain applications and it is a prerequisite of eigensolvers based on a divide-and-conquer paradigm. Often an exact count is not necessary and methods based on stochastic estimates can be utilized to yield rough approximations. This paper examines a number of techniques tailored to this specific task. It reviews standard approaches and explores new ones based on polynomial and rational approximation filtering combined with a stochastic procedure.

Braegan S. Spring, Eric Polizzi, Ahmed H. Sameh

New features and enhancements for the SPIKE banded solver are presented. Among all the SPIKE algorithm versions, we focus our attention on the recursive SPIKE technique which provides the best trade-off between generality and parallel efficiency, but was known for its lack of flexibility. Its application was essentially limited to power of two number of cores/processors. This limitation is successfully addressed in this paper. In addition, we present a new transpose solve option, a standard feature of most numerical solver libraries which has never been addressed by the SPIKE algorithm so far. A pivoting recursive SPIKE strategy is finally presented as an alternative to non-pivoting scheme for systems with large condition numbers. All these new enhancements participate to create a feature complete SPIKE algorithm and a new black-box SPIKE-OpenMP package that significantly outperforms the performance and scalability obtained with other state-of-the-art banded solvers.

Ivan Williams, Eric Polizzi

A neural solver and differentiable simulation of the quantum transmitting boundary model is presented for the inverse quantum transport problem. The neural solver is used to engineer continuous transmission properties and the differentiable simulation is used to engineer current-voltage characteristics.