Fermionic Reduced Density Low-Rank Matrix Completion, Noise Filtering, and Measurement Reduction in Quantum Simulations.

Abstract

Fermionic reduced density matrices summarize the key observables in Fermionic systems. In electronic systems, the two-particle reduced density matrix (2-RDM) is sufficient to determine the energy and most physical observables of interest. Here, we consider the possibility of using matrix completion to reconstruct the two-particle reduced density matrix to chemical accuracy from partial information. We consider the case of noiseless matrix completion, where the partial information corresponds to a subset of the 2-RDM elements, as well as noisy completion, where the partial information corresponds to both a subset of elements and statistical noise in their values. Through experiments on a set of 24 molecular systems, we find that 2-RDM can be efficiently reconstructed from a reduced amount of information. In the case of noisy completion, this results in a multiple orders of magnitude reduction in the number of measurements needed to determine the 2-RDM with chemical accuracy. These techniques can be readily applied to both classical and quantum algorithms for quantum simulations.