论文标题
基于Qubit激发的自适应变分量子本素
Qubit-excitation-based adaptive variational quantum eigensolver
论文作者
论文摘要
具有变分量子本质量(VQE)的分子模拟是新兴嘈杂的中间量子量子计算机的有前途的应用。构建易于优化和通过浅量子电路进行优化和实施的准确分子Ansätze对于成功实施此类模拟至关重要。通常,Ansätze被构造为一系列费米子激发的演变。取而代之的是,我们证明了用“ Qubit-Spincitation Evolutions”构建Ansätze的有用性,与费米金激发的演变相反,它服从“ Qubit“ Qubit Ponsution Canterys”。我们表明,尽管缺乏费米子激发演变的某些物理特征,但量子激发的演变准确地构建了Ansätze,同时需要渐近的大门。利用量子激发的演变,我们介绍了基于Qubit-Excitation的自适应(QEB-ADAPT)-VQE协议。 QEB-ADAPT-VQE是对Adapt-VQE的修改,该修改使用问题列出的ANSATZ执行分子模拟,并通过添加Qubit激发算子的演变而在迭代中生长。通过对小分子进行经典的数值模拟,我们将基准测试QEB-ADAPT-VQE,并将其与原始的Fermionic-Adapt-VQE和Qubit-Adapt-VQE进行比较。在电路效率和收敛速度方面,我们证明了Qeb-Adapt-VQE优于QUBIT-ADAPT-VQE,据我们所知,这是用于分子模拟的先前最高电路有效的可扩展VQE协议。
Molecular simulations with the variational quantum eigensolver (VQE) are a promising application for emerging noisy intermediate-scale quantum computers. Constructing accurate molecular ansätze that are easy to optimize and implemented by shallow quantum circuits is crucial for the successful implementation of such simulations. Ansätze are, generally, constructed as series of fermionic-excitation evolutions. Instead, we demonstrate the usefulness of constructing ansätze with "qubit-excitation evolutions", which, contrary to fermionic excitation evolutions, obey "qubit commutation relations". We show that qubit excitation evolutions, despite the lack of some of the physical features of fermionic excitation evolutions, accurately construct ansätze, while requiring asymptotically fewer gates. Utilizing qubit excitation evolutions, we introduce the qubit-excitation-based adaptive (QEB-ADAPT)-VQE protocol. The QEB-ADAPT-VQE is a modification of the ADAPT-VQE that performs molecular simulations using a problem-tailored ansatz, grown iteratively by appending evolutions of qubit excitation operators. By performing classical numerical simulations for small molecules, we benchmark the QEB-ADAPT-VQE, and compare it against the original fermionic-ADAPT-VQE and the qubit-ADAPT-VQE. In terms of circuit efficiency and convergence speed, we demonstrate that the QEB-ADAPT-VQE outperforms the qubit-ADAPT-VQE, which to our knowledge was the previous most circuit-efficient scalable VQE protocol for molecular simulations.