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arXiv 2209.03478quant-phcs.DS
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用于哈密顿量模拟的高效电路综合

Synthesizing efficient circuits for Hamiltonian simulation

Priyanka Mukhopadhyay, Nathan Wiebe, Hong Tao Zhang

AI总结:

本研究提出哈密顿量模拟电路编译新方法,通过对易项分组与贪心分配算法减少非Clifford门数量,在多模型化学模拟中实现1.8-3.2倍的门数降低,提升了Trotter类化学模拟的实用性。

摘要:

我们提出了一种新方法,用于将Trotter、qDRIFT和多乘积公式中出现的量子模拟电路编译为Clifford与非Clifford操作,可将非Clifford操作的数量最多减少至原来的1/4。实际上,在许多情况下总门数也会降低。我们证明,实现一组对易泡利算符之和的指数化,最多仅需m个(受控)旋转门,其中m是不同非零本征值的数量(忽略符号)。因此,我们可以将相互对易的哈密顿量项分组,这些分组满足本文提出的若干对称性中的一种,从而能够以较低成本模拟整组项。我们进一步证明,在某些情况下,通过将哈密顿量项部分分配到多个组可以进一步降低成本,并提出了一种多项式时间经典算法,可通过贪心策略将项分配到合适的分组中。我们还专门讨论了这些优化在费米子动力学场景下的应用,并针对6量子比特和4量子比特海森堡模型、LiH、H₂的qDRIFT模拟开展了大量数值实验,观测到非Clifford门数量减少了1.8-3.2倍。这表明基于Trotter的二次量子化化学模拟可能比此前认为的更具实用性。

英文摘要:

We provide a new approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations by a factor of up to $4$. In fact, the total number of gates reduce in many cases. We show that it is possible to implement an exponentiated sum of commuting Paulis with at most $m$ (controlled)-rotation gates, where $m$ is the number of distinct non-zero eigenvalues (ignoring sign). Thus we can collect mutually commuting Hamiltonian terms into groups that satisfy one of several symmetries identified in this work which allow an inexpensive simulation of the entire group of terms. We further show that the cost can in some cases be reduced by partially allocating Hamiltonian terms to several groups and provide a polynomial time classical algorithm that can greedily allocate the terms to appropriate groupings. We further specifically discuss these optimizations for the case of fermionic dynamics and provide extensive numerical simulations for qDRIFT of our grouping strategy to 6 and 4-qubit Heisenberg models, $LiH$, $H_2$ and observe a factor of 1.8-3.2 reduction in the number of non-Clifford gates. This suggests Trotter-based simulation of chemistry in second quantization may be even more practical than previously believed.

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