论文标题

CAFQA:用于变异量子算法的经典模拟引导程序

CAFQA: A classical simulation bootstrap for variational quantum algorithms

论文作者

Ravi, Gokul Subramanian, Gokhale, Pranav, Ding, Yi, Kirby, William M., Smith, Kaitlin N., Baker, Jonathan M., Love, Peter J., Hoffmann, Henry, Brown, Kenneth R., Chong, Frederic T.

论文摘要

这项工作解决了通过提出CAFQA(以量子精度)提出CAFQA(CAFQA),以解决各种量子算法(VQA)的良好ANSATZ初始化。 CAFQA ANSATZ是仅使用Clifford大门构建的硬件有效电路。在此Ansatz中,通过经典模拟通过有效地通过Clifford参数空间进行有效搜索来选择可调门的参数。由此产生的初始状态始终相等或胜过传统的经典初始化(例如,Hartree-fock),并实现高准确性VQA估计。 CAFQA非常适合经典计算,因为:a)仅在多项式时间内可以准确地模拟仅克利福德量子电路,而b)b)通过贝叶斯优化对离散的clifford空间有效地搜索。 对于分子基态能量估计(最高18 QUAT)的变异量子本质层(VQE)任务,CAFQA的Clifford Ansatz的平均准确性近99%,恢复了多达99.99%的分子相关能量的99.99%,而在Hartree-Fock初始化中损失了。在不同指标上,CAFQA在最先进的情况下实现了6.4倍和56.8倍的平均准确性提高。该方法的可伸缩性允许对具有挑战性的铬二聚体(CR $ _2 $)分子进行初步基态能量估计。随着CAFQA的高临界初始化,即使对于小分子,VQA的收敛性也会加速2.5倍。 此外,在CAFQA框架中允许有限数量的非clifford(T)门的初步探索表明,可以在键长的键长度上恢复多达99.9%的相关能量,而Clifford-CafQA准确性相对有限,同时又恢复了经典的模拟。

This work tackles the problem of finding a good ansatz initialization for Variational Quantum Algorithms (VQAs), 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 (Cr$_2$) 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.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源