Peter L. McMahon

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for quantum simulation that can be run on near-term quantum hardware. A challenge in VQE -- as well as any other heuristic algorithm for finding ground states of Hamiltonians -- is to know how close the algorithm's output solution is to the true ground state, when the true ground state and ground-state energy are unknown. This is especially important in iterative algorithms, such as VQE, where one wants to avoid erroneous early termination. Recent developments in Hamiltonian reconstruction -- the inference of a Hamiltonian given an eigenstate -- give a metric can be used to assess the quality of a variational solution to a Hamiltonian-eigensolving problem. This metric can assess the proximity of the variational solution to the ground state without any knowledge of the true ground state or ground-state energy. In numerical simulations and in demonstrations on a cloud-based trapped-ion quantum computer, we show that for examples of both one-dimensional transverse-field-Ising (11 qubits) and two-dimensional J1-J2 transverse-field-Ising (6 qubits) spin problems, the Hamiltonian-reconstruction distance gives a helpful indication of whether VQE has yet found the ground state or not. Our experiments included cases where the energy plateaus as a function of the VQE iteration, which could have resulted in erroneous early stopping of the VQE algorithm, but where the Hamiltonian-reconstruction distance correctly suggests to continue iterating. We find that the Hamiltonian-reconstruction distance has a useful correlation with the fidelity between the VQE solution and the true ground state. Our work suggests that the Hamiltonian-reconstruction distance may be a useful tool for assessing success in VQE, including on noisy quantum processors in practice.

A variational quantum algorithm for numerically solving partial differential equations (PDEs) on a quantum computer was proposed by Lubasch et al. In this paper, we generalize the method introduced by Lubasch et al. to cover a broader class of nonlinear PDEs as well as multidimensional PDEs, and study the performance of the variational quantum algorithm on several example equations. Specifically, we show via numerical simulations that the algorithm can solve instances of the Single-Asset Black-Scholes equation with a nontrivial nonlinear volatility model, the Double-Asset Black-Scholes equation, the Buckmaster equation, and the deterministic Kardar-Parisi-Zhang equation. Our simulations used up to $n=12$ ansatz qubits, computing PDE solutions with $2^n$ grid points. We also performed proof-of-concept experiments with a trapped-ion quantum processor from IonQ, showing accurate computation of two representative expectation values needed for the calculation of a single timestep of the nonlinear Black--Scholes equation. Through our classical simulations and experiments on quantum hardware, we have identified -- and we discuss -- several open challenges for using quantum variational methods to solve PDEs in a regime with a large number ($\gg 2^{20}$) of grid points, but also a practical number of gates per circuit and circuit shots.

The ability to efficiently load functions on quantum computers with high fidelity is essential for many quantum algorithms. We introduce the Fourier Series Loader (FSL) method for preparing quantum states that exactly encode multi-dimensional Fourier series using linear-depth quantum circuits. The FSL method prepares a ($Dn$)-qubit state encoding the $2^{Dn}$-point uniform discretization of a $D$-dimensional function specified by a $D$-dimensional Fourier series. A free parameter $m < n$ determines the number of Fourier coefficients, $2^{D(m+1)}$, used to represent the function. The FSL method uses a quantum circuit of depth at most $2(n-2)+\lceil \log_{2}(n-m) \rceil + 2^{D(m+1)+2} -2D(m+1)$, which is linear in the number of Fourier coefficients, and linear in the number of qubits ($Dn$) despite the fact that the loaded function's discretization is over exponentially many ($2^{Dn}$) points. We present a classical compilation algorithm with runtime $O(2^{3D(m+1)})$ to determine the FSL circuit for a given Fourier series. The FSL method allows for the highly accurate loading of complex-valued functions that are well-approximated by a Fourier series with finitely many terms. We report results from noiseless quantum circuit simulations, illustrating the capability of the FSL method to load various continuous 1D functions, and a discontinuous 1D function, on 20 qubits with infidelities of less than $10^{-6}$ and $10^{-3}$, respectively. We also demonstrate the practicality of the FSL method for near-term quantum computers by presenting experiments performed on the Quantinuum H$1$-$1$ and H$1$-$2$ trapped-ion quantum computers: we loaded a complex-valued function on 3 qubits with a fidelity of over $95\%$, as well as various 1D real-valued functions on up to 6 qubits with classical fidelities $\approx 99\%$, and a 2D function on 10 qubits with a classical fidelity $\approx 94\%$.