The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry

New approaches into computational quantum chemistry can be developed through the use of quantum computing. While universal, fault-tolerant quantum computers are still not available, and we want to utilize today’s noisy quantum processors. One of their flagship applications is the variational quantum eigensolver (VQE)—an algorithm for calculating the minimum energy of a physical Hamiltonian. In this study, we investigate how various types of errors affect the VQE and how to efficiently use the available resources to produce precise computational results. We utilize a simulator of a noisy quantum device, an exact statevector simulator, and physical quantum hardware to study the VQE algorithm for molecular hydrogen. We find that the optimal method of running the hybrid classical-quantum optimization is to: (i) allow some noise in intermediate energy evaluations, using fewer shots per step and fewer optimization iterations, but ensure a high final readout precision; (ii) emphasize efficient problem encoding and ansatz parametrization; and (iii) run all experiments within a short time-frame, avoiding parameter drift with time. Nevertheless, current publicly available quantum resources are still very noisy and scarce/expensive, and even when using them efficiently, it is quite difficult to perform trustworthy calculations of molecular energies.

Many-body localization enables iterative quantum optimization

We suggest an iterative quantum protocol, allowing to solve optimization problems with a glassy energy landscape. It is based on a periodic cycling around the tricritical point of the many-body localization transition. This ensures that each iteration leads to a non-exponentially small probability to find a lower local energy minimum. The other key ingredient is to tailor the cycle parameters to a currently achieved optimal state (the "reference" state) and to reset them once a deeper minimum is found. We show that, if the position of the tricritical point is known, the algorithm allows to approach the absolute minimum with any given precision in a polynomial time.

Variational Quantum Optimization with Multi-Basis Encodings

Despite extensive research efforts, few quantum algorithms for classical optimization demonstrate realizable quantum advantage. The utility of many quantum algorithms is limited by high requisite circuit depth and nonconvex optimization landscapes. We tackle these challenges by introducing a new variational quantum algorithm that utilizes multi-basis graph encodings and nonlinear activation functions. Our technique results in increased optimization performance, a factor of two increase in effective quantum resources, and a quadratic reduction in measurement complexity. While the classical simulation of many qubits with traditional quantum formalism is impossible due to its exponential scaling, we mitigate this limitation with exact circuit representations using factorized tensor rings. In particular, the shallow circuits permitted by our technique, combined with efficient factorized tensor-based simulation, enable us to successfully optimize the MaxCut of the nonlocal 512-vertex DIMACS library graphs on a single GPU. By improving the performance of quantum optimization algorithms while requiring fewer quantum resources and utilizing shallower, more error-resistant circuits, we offer tangible progress for variational quantum optimization.

Analyzing the performance of variational quantum factoring on a superconducting quantum processor

In the near-term, hybrid quantum-classical algorithms hold great potential for outperforming classical approaches. Understanding how these two computing paradigms work in tandem is critical for identifying areas where such hybrid algorithms could provide a quantum advantage. In this work, we study a QAOA-based quantum optimization approach by implementing the Variational Quantum Factoring (VQF) algorithm. We execute experimental demonstrations using a superconducting quantum processor, and investigate the trade off between quantum resources (number of qubits and circuit depth) and the probability that a given biprime is successfully factored. In our experiments, the integers 1099551473989, 3127, and 6557 are factored with 3, 4, and 5 qubits, respectively, using a QAOA ansatz with up to 8 layers and we are able to identify the optimal number of circuit layers for a given instance to maximize success probability. Furthermore, we demonstrate the impact of different noise sources on the performance of QAOA, and reveal the coherent error caused by the residual ZZ-coupling between qubits as a dominant source of error in a near-term superconducting quantum processor.