Fermionic reduced density low-rank matrix completion, noise filtering, and measurement reduction in quantum simulations

• URL: http://arxiv.org/abs/2306.05640v1
• Date: Fri, 9 Jun 2023 02:59:41 GMT
• Title: Fermionic reduced density low-rank matrix completion, noise filtering, and measurement reduction in quantum simulations
• Abstract summary: In electronic systems, the two-particle reduced density matrix (2-RDM) is sufficient to determine the energy and most physical observables of interest. We consider the possibility of using matrix completion to reconstruct the two-particle reduced density matrix to chemical accuracy from partial information.
• Score: 1.897832473739845
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• 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, as well as statistical noise in their values. Through experiments on a set of 24 molecular systems, we find that the 2-RDM can be efficiently reconstructed from a reduced amount of information. In the case of noisy completion, this results in multiple orders of magnitude reduction in the number of measurements needed to determine the 2-RDM to chemical accuracy. These techniques can be readily applied to both classical and quantum algorithms for quantum simulations.

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