arXiv:2411.13742quant-phcs.LG2024-11被引 3

对比30种优化器,找出发射量子变分求解器的最优方案

Benchmarking a wide range of optimisers for solving the Fermi-Hubbard model using the variational quantum eigensolver

  • 用372个实例测试30种优化器性能
  • ADAM、动量梯度下降等表现最佳,收敛快且能量低
  • 量子自然梯度迭代少但总调用次数多,不划算

我们数值对比了30种优化器在372个实例上求解费米-哈伯德模型的变分量子本征求解器表现,采用哈密顿量变分线路。根据最终能量和达到指定精度所需的函数调用次数进行排序,发现动量梯度下降、ADAM(有限差分)、SPSA、CMAES和BayesMGD表现最优。通过梯度分析发现,有限差分的步长影响显著。同时测试了受SPSA启发的同步扰动作为梯度子程序:有限差分更精确但调用更多,同步扰动收敛更快但后期精度略低。此外,对一维费米-哈伯德系统实现量子自然梯度算法,虽迭代次数少、能量更低,但总函数调用次数反而增加,优势被抵消。研究包含4个实例的精细超参数扫描,提供多种分析图表、优化器详细说明及未来方向讨论。

原文摘要 · Abstract (English)

We numerically benchmark 30 optimisers on 372 instances of the variational quantum eigensolver for solving the Fermi-Hubbard system with the Hamiltonian variational ansatz. We rank the optimisers with respect to metrics such as final energy achieved and function calls needed to get within a certain tolerance level, and find that the best performing optimisers are variants of gradient descent such as Momentum and ADAM (using finite difference), SPSA, CMAES, and BayesMGD. We also perform gradient analysis and observe that the step size for finite difference has a very significant impact. We also consider using simultaneous perturbation (inspired by SPSA) as a gradient subroutine: here finite difference can lead to a more precise estimate of the ground state but uses more calls, whereas simultaneous perturbation can converge quicker but may be less precise in the later stages. Finally, we also study the quantum natural gradient algorithm: we implement this method for 1-dimensional Fermi-Hubbard systems, and find that whilst it can reach a lower energy with fewer iterations, this improvement is typically lost when taking total function calls into account. Our method involves performing careful hyperparameter sweeping on 4 instances. We present a variety of analysis and figures, detailed optimiser notes, and discuss future directions.

量子计算优化器变分量子算法费米哈伯德模型

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。