Automated near-term quantum algorithm discovery for molecular ground states

Designing quantum algorithms is a complex and counterintuitive task, making it an ideal candidate for AI-driven algorithm discovery. To this end, we employ the Hive, an AI platform for program synthesis, which utilises large language models to drive a highly distributed evolutionary process for discovering new algorithms. We focus on the ground state problem in quantum chemistry, and discover efficient quantum heuristic algorithms that solve it for molecules LiH, H2O, and F2 while exhibiting significant reductions in quantum resources relative to state-of-the-art near-term quantum algorithms. Further, we perform an interpretability study on the discovered algorithms and identify the key functions responsible for the efficiency gains. Finally, we benchmark the Hive-discovered circuits on the Quantinuum System Model H2 quantum computer and identify minimum system requirements for chemical precision. We envision that this novel approach to quantum algorithm discovery applies to other domains beyond chemistry, as well as to designing quantum algorithms for fault-tolerant quantum computers.

Quantum Algorithms for Drone Mission Planning

Mission planning often involves optimising the use of ISR (Intelligence, Surveillance and Reconnaissance) assets in order to achieve a set of mission objectives within allowed parameters subject to constraints. The missions of interest here, involve routing multiple UAVs visiting multiple targets, utilising sensors to capture data relating to each target. Finding such solutions is often an NP-Hard problem and cannot be solved efficiently on classical computers. Furthermore, during the mission new constraints and objectives may arise, requiring a new solution to be computed within a short time period. To achieve this we investigate near term quantum algorithms that have the potential to offer speed-ups against current classical methods. We demonstrate how a large family of these problems can be formulated as a Mixed Integer Linear Program (MILP) and then converted to a Quadratic Unconstrained Binary Optimisation (QUBO). The formulation provided is versatile and can be adapted for many different constraints with clear qubit scaling provided. We discuss the results of solving the QUBO formulation using commercial quantum annealers and compare the solutions to current edge classical solvers. We also analyse the results from solving the QUBO using Quantum Approximate Optimisation Algorithms (QAOA) and discuss their results. Finally, we also provide efficient methods to encode to the problem into the Variational Quantum Eigensolver (VQE) formalism, where we have tailored the ansatz to the problem making efficient use of the qubits available.