Hirsbrunner Mark R, Mullinax J Wayne, Shen Yizhi, Williams-Young David B, Klymko Katherine, Van Beeumen Roel, Tubman Norm M
Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
USRA Research Institute for Advanced Computer Science, Mountain View, California 94043, USA.
J Chem Phys. 2024 Oct 28;161(16). doi: 10.1063/5.0224883.
Recent research has shown that wavefunction evolution in real and imaginary time can generate quantum subspaces with significant utility for obtaining accurate ground state energies. Inspired by these methods, we propose combining quantum subspace techniques with the variational quantum eigensolver (VQE). In our approach, the parameterized quantum circuit is divided into a series of smaller subcircuits. The sequential application of these subcircuits to an initial state generates a set of wavefunctions that we use as a quantum subspace to obtain high-accuracy groundstate energies. We call this technique the circuit subspace variational quantum eigensolver (CSVQE) algorithm. By benchmarking CSVQE on a range of quantum chemistry problems, we show that it can achieve significant error reduction in the best case compared to conventional VQE, particularly for poorly optimized circuits, greatly improving convergence rates. Furthermore, we demonstrate that when applied to circuits trapped at local minima, CSVQE can produce energies close to the global minimum of the energy landscape, making it a potentially powerful tool for diagnosing local minima.
最近的研究表明,实时间和虚时间中的波函数演化可以生成具有显著效用的量子子空间,用于获得精确的基态能量。受这些方法的启发,我们提出将量子子空间技术与变分量子特征求解器(VQE)相结合。在我们的方法中,参数化量子电路被划分为一系列较小的子电路。将这些子电路依次应用于初始状态会生成一组波函数,我们将其用作量子子空间以获得高精度的基态能量。我们将这种技术称为电路子空间变分量子特征求解器(CSVQE)算法。通过在一系列量子化学问题上对CSVQE进行基准测试,我们表明,与传统的VQE相比,在最佳情况下它可以显著降低误差,特别是对于优化不佳的电路,能大大提高收敛速度。此外,我们证明,当应用于陷入局部最小值的电路时,CSVQE可以产生接近能量景观全局最小值的能量,使其成为诊断局部最小值的潜在强大工具。