Scaling adaptive quantum simulation algorithms via operator pool tiling

Abstract

Adaptive variational quantum simulation algorithms use information from the quantum computer to dynamically create optimal trial wavefunctions for a given problem Hamiltonian. A key ingredient in these algorithms is a predefined operator pool from which trial wavefunctions are constructed. Finding suitable pools is critical for the efficiency of the algorithm as the problem size increases. Here, we present a technique called operator pool tiling that facilitates the construction of problem-tailored pools for arbitrarily large problem instances. By first performing an ADAPT-VQE calculation on a smaller instance of the problem using a large, but computationally inefficient operator pool, we extract the most relevant operators and use them to design more efficient pools for larger instances. Given that many problems, such as those arising in condensed matter physics, have a naturally repeating (lattice) structure, we expect the pool tiling method to be widely applicable. We demonstrate the technique here on strongly correlated quantum spin models in one and two dimensions, finding that the resulting state preparation circuits are significantly shorter compared to existing methods.