Optimal fermion-qubit mappings via quadratic assignment

Abstract: Simulation of fermionic systems is one of the most promising applications of quantum computers. It spans problems in quantum chemistry, high-energy physics and condensed matter. Underpinning the core steps of any quantum simulation algorithm, fermion-qubit mappings translate the fermionic interactions to the operators and states of quantum computers. This translation is highly non-trivial: a burgeoning supply of fermion-qubit mappings has arisen over the past twenty years to address the limited resources of early quantum technology. Previous literature has presented a dichotomy between ancilla-free fermion-qubit mappings, which minimise qubit count, and local encodings, which minimise gate complexity. We present two computational approaches to the construction of general mappings while working with a limited number of qubits, striking a balance between the low-qubit and low-gate demands of present quantum technology. The first method frames the order of fermionic labels as an instance of the quadratic assignment problem to minimize the total and maximum Pauli weights in a problem Hamiltonian. We compare the order-optimized performance of several common ancilla-free mappings on systems of size up to 225 fermionic modes. The second method is a computational approach to incrementally add ancilla qubits to Jordan--Wigner transformations and further reduce the Pauli weights. By adding up to 10 ancilla qubits, we were able to reduce the total Pauli weight by as much as 67% in Jordan--Wigner transformations of fermionic systems with up to 64 modes, outperforming the previous state-of-the-art ancilla-free mappings. Reproducibility: source code and data are available at https://github.com/cameton/QCE_QubitAssignment