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An Exploratory Study of a Subspace Iteration Method as an Alternative to the QR Method for Floquet Eigenanalysis

Floquet eigenanalysis requires a few dominant eigenvalues of the Floquet transition matrix (FTM). Although the QR method is used almost exclusively, it is expensive for such partial eigenanalysis; the operation counts and, thereby, the approximate machine-time grow cubically with the matrix order. Accordingly, for Floquet eigenanalysis, the Arnold-Saad method, a subspace iteration method, is investigated as an alternative to the QR method. The two methods are compared for machine-time efficiency and the residual errors of the corresponding eigenpairs. The Arnolds-Saad method takes much less machine-time than the QR method with comparable computational reliability and offers promise fpr large-scale Floquet eigenanalysis.

Achar, N. S.

Subspace Identification with Multiple Data Sets

Most existing subspace identification algorithms assume that a single input to output data set is available. Motivated by a real life problem on the F18-SRA experimental aircraft, we show how these algorithms are readily adapted to handle multiple data sets. We show by means of an example the relevance of such an improvement.

Duchesne, Laurent

A General Algorithm for Reusing Krylov Subspace Information. I. Unsteady Navier-Stokes

A general algorithm is developed that reuses available information to accelerate the iterative convergence of linear systems with multiple right-hand sides A x = b (sup i), which are commonly encountered in steady or unsteady simulations of nonlinear equations. The algorithm is based on the classical GMRES algorithm with eigenvector enrichment but also includes a Galerkin projection preprocessing step and several novel Krylov subspace reuse strategies. The new approach is applied to a set of test problems, including an unsteady turbulent airfoil, and is shown in some cases to provide significant improvement in computational efficiency relative to baseline approaches.

Carpenter, Mark H.

Hamiltonian simulation in Zeno subspaces

Here, we investigate the quantum Zeno effect as a framework for designing and analyzing quantum algorithms for Hamiltonian simulation. We show that frequent projective measurements of an ancilla qubit register can be used to simulate quantum dynamics on a target qubit register with a circuit complexity similar to randomized approaches. The classical sampling overhead in the latter approaches is traded for ancilla qubit overhead in Zeno-based approaches. A second-order Zeno sequence is developed to improve scaling and implementations through unitary kicks are discussed. We derive rigorous error bounds that allow for identifying the associated circuit complexities for the first- and second-order Zeno sequences. We show that the circuits over the combined register can be identified as a subroutine commonly used in post-Trotter Hamiltonian simulation methods. We build on this observation to reveal connections between different Hamiltonian simulation algorithms.

Hamiltonian simulation

Challenging excited states from adaptive quantum eigensolvers: subspace expansions vs. state-averaged strategies

The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules are relatively unexplored. In this work, we consider the adaptive, problem-tailored (ADAPT)-variational quantum eigensolver (VQE) algorithm, a single-reference approach for obtaining ground states, and its state-averaged generalization for computing multiple states at once. We demonstrate for both rectangular and linear H4, as well as for BeH2, that this approach, which we call multistate-objective, Ritz-eigenspectral (MORE)-ADAPT-VQE, can make better use of small excitation manifolds than an analogous method based on a single-reference ADAPT-VQE calculation, q-sc-EOM. In particular, MORE-ADAPT-VQE is able to accurately describe both avoided crossings and crossings between states of different symmetries. In addition to more accurate excited state energies, MORE-ADAPT-VQE can recover accurate transition dipole moments in situations where traditional ADAPT-VQE and q-sc-EOM struggle. These improvements suggest a promising direction toward the use of quantum computers for difficult excited state problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Orthogonal subspaces for correlation masking

A digital correlation mask that induces orthogonality among a prescribed set of reference imagery is described. In this particular implementation, the resulting correlation is undersampled and shift-variant, though if it is applied to optical correlators, those limitations are removed. A method of introducing orthogonality among the weights among the training set from which filter values are obtained is derived, so that the correlation value from a given filter is representative of the unique nature of the reference object as compared against the other objects in the training class.

Juday, Richard D.

Structural damage detection using a subspace rotation algorithm

A computationally inexpensive algorithm is developed to provide an insight to the location of structural damage, using the original finite element model and a subset of measured eigenvalues and eigenvectors. The computational requirements of the algorithm may make the technique suitable for real-time implementation. With damage location determined, a second algorithm is developed to determine the extent of damage. The algorithms are demonstrated using two classes of structural models. The effects of eigenvector measurement error is demonstrated and techniques to overcome the effects of noise are discussed.

Zimmerman, David C.

Multigrid and Krylov Subspace Methods for the Discrete Stokes Equations

Discretization of the Stokes equations produces a symmetric indefinite system of linear equations. For stable discretizations, a variety of numerical methods have been proposed that have rates of convergence independent of the mesh size used in the discretization. In this paper, we compare the performance of four such methods: variants of the Uzawa, preconditioned conjugate gradient, preconditioned conjugate residual, and multigrid methods, for solving several two-dimensional model problems. The results indicate that where it is applicable, multigrid with smoothing based on incomplete factorization is more efficient than the other methods, but typically by no more than a factor of two. The conjugate residual method has the advantage of being both independent of iteration parameters and widely applicable.

Elman, Howard C.

Preserving Symmetry in Preconditioned Krylov Subspace Methods

We consider the problem of solving a linear system Ax = b when A is nearly symmetric and when the system is preconditioned by a symmetric positive definite matrix M. In the symmetric case, one can recover symmetry by using M-inner products in the conjugate gradient (CG) algorithm. This idea can also be used in the nonsymmetric case, and near symmetry can be preserved similarly. Like CG, the new algorithms are mathematically equivalent to split preconditioning, but do not require M to be factored. Better robustness in a specific sense can also be observed. When combined with truncated versions of iterative methods, tests show that this is more effective than the common practice of forfeiting near-symmetry altogether.

Chan, Tony F.