Decomposing dense matrices into dense Pauli tensors (2401.16378v2)

Abstract: Decomposing a matrix into a weighted sum of Pauli strings is a common chore of the quantum computer scientist, whom is not easily discouraged by exponential scaling. But beware, a naive decomposition can be cubically more expensive than necessary! In this manuscript, we derive a fixed-memory, branchless algorithm to compute the inner product between a 2^N-by-2^N complex matrix and an N-term Pauli tensor in O(2^N) time, by leveraging the Gray code. Our scheme permits the embarrassingly parallel decomposition of a matrix into a weighted sum of Pauli strings in O(8^N) time. We implement our algorithm in Python, hosted open-source on Github, and benchmark against a recent state-of-the-art method called the "PauliComposer" which has an exponentially growing memory overhead, achieving speedups in the range of 1.5x to 5x for N < 8. Note that our scheme does not leverage sparsity, diagonality, Hermitivity or other properties of the input matrix which might otherwise enable optimised treatment in other methods. As such, our algorithm is well-suited to decomposition of dense, arbitrary, complex matrices which are expected dense in the Pauli basis, or for which the decomposed Pauli tensors are a priori unknown.