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Classical computing plays a critical role in the advancement of quantum frontiers in the NISQ era. In this spirit, this work uses classical simulation to bootstrap Variational Quantum Algorithms (VQAs). VQAs rely upon the iterative optimization of a parameterized unitary circuit (ansatz) with respect to an objective function. Since quantum machines are noisy and expensive resources, it is imperative to classically choose the VQA ansatz initial parameters to be as close to optimal as possible to improve VQA accuracy and accelerate their convergence on today’s devices. This work tackles the problem of finding a good ansatz initialization, by proposing CAFQA, a Clifford Ansatz For Quantum Accuracy. The CAFQA ansatz is a hardware-efficient circuit built with only Clifford gates. In this ansatz, the parameters for the tunable gates are chosen by searching efficiently through the Clifford parameter space via classical simulation. The resulting initial states always equal or outperform traditional classical initialization (e.g., Hartree-Fock), and enable high-accuracy VQA estimations. CAFQA is well-suited to classical computation because: a) Clifford-only quantum circuits can be exactly simulated classically in polynomial time, and b) the discrete Clifford space is searched efficiently via Bayesian Optimization. For the Variational Quantum Eigensolver (VQE) task of molecular ground state energy estimation (up to 18 qubits), CAFQA’s Clifford Ansatz achieves a mean accuracy of nearly 99% and recovers as much as 99.99% of the molecular correlation energy that is lost in Hartree-Fock initialization. CAFQA achieves mean accuracy improvements of 6.4x and 56.8x, over the state-of-the-art, on different metrics. The scalability of the approach allows for preliminary ground state energy estimation of the challenging chromium dimer (Cr2) molecule. With CAFQA’s high-accuracy initialization, the convergence of VQAs is shown to accelerate by 2.5x, even for small molecules. Furthermore, preliminary exploration of allowing a limited number of non-Clifford (T) gates in the CAFQA framework, shows that as much as 99.9% of the correlation energy can be recovered at bond lengths for which Clifford-only CAFQA accuracy is relatively limited, while remaining classically simulable. 

We describe a general approach to modeling rational decision-making agents who adopt either quantum or classical mechanics based on the Quantum Bayesian (QBist) approach to quantum theory. With the additional ingredient of a scheme by which the properties of one agent may influence another, we arrive at a flexible framework for treating multiple interacting quantum and classical Bayesian agents. We present simulations in several settings to illustrate our construction: quantum and classical agents receiving signals from an exogenous source, two interacting classical agents, two interacting quantum agents, and interactions between classical and quantum agents. A consistent treatment of multiple interacting users of quantum theory may allow us to properly interpret existing multi-agent protocols and could suggest new approaches in other areas such as quantum algorithm design. 

The quantum approximate optimization algorithm (QAOA) is a near-term hybrid algorithm intended to solve combinatorial optimization problems, such as MaxCut. QAOA can be made to mimic an adiabatic schedule, and in the p → ∞ limit the final state is an exact maximal eigenstate in accordance with the adiabatic theorem. In this work, the connection between QAOA and adiabaticity is made explicit by inspecting the regime of p large but finite. By connecting QAOA to counterdiabatic (CD) evolution, we construct CD-QAOA angles which mimic a counterdiabatic schedule by matching Trotter "error" terms to approximate adiabatic gauge potentials which suppress diabatic excitations arising from finite ramp speed. In our construction, these "error" terms are helpful, not detrimental, to QAOA. Using this matching to link QAOA with quantum adiabatic algorithms (QAA), we show that the approximation ratio converges to one at least as 1 − C ( p ) ∼ 1 / p μ . We show that transfer of parameters between graphs, and interpolating angles for p + 1 given p are both natural byproducts of CD-QAOA matching. Optimization of CD-QAOA angles is equivalent to optimizing a continuous adiabatic schedule. Finally, we show that, using a property of variational adiabatic gauge potentials, QAOA is at least counterdiabatic, not just adiabatic, and has better performance than finite time adiabatic evolution. We demonstrate the method on three examples: a 2 level system, an Ising chain, and the MaxCut problem. 

We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the sum of two contributions. The first contribution comes from a noncontextual approximation to the Hamiltonian, and is computed classically. The second contribution is obtained by using the variational quantum eigensolver (VQE) technique to compute a contextual correction on a quantum processor. In general the VQE computation of the contextual correction uses fewer qubits and measurements than the VQE computation of the original problem. Varying the number of qubits used for the contextual correction adjusts the quality of the approximation. We simulate CS-VQE on tapered Hamiltonians for small molecules, and find that the number of qubits required to reach chemical accuracy can be reduced by more than a factor of two. The number of terms required to compute the contextual correction can be reduced by more than a factor of ten, without the use of other measurement reduction schemes. This indicates that CS-VQE is a promising approach for eigenvalue computations on noisy intermediate-scale quantum devices.