Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry.
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry.
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DOI：
10.1038/s41467-023-37587-6
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发表时间：
2023-04-07
影响因子：
16.6
通讯作者：
Chan, Garnet Kin-Lic
中科院分区：
文献类型：
--
作者：
Lee, Seunghoon;Lee, Joonho;Zhai, Huanchen;Tong, Yu;Dalzell, Alexander M.;Kumar, Ashutosh;Helms, Phillip;Gray, Johnnie;Cui, Zhi-Hao;Liu, Wenyuan;Kastoryano, Michael;Babbush, Ryan;Preskill, John;Reichman, David R.;Campbell, Earl T.;Valeev, Edward F.;Lin, Lin;Chan, Garnet Kin-Lic
由于对量子计算潜在应用的强烈兴趣，理解量子化学中潜在指数量子优势的基础至关重要。在这里，我们在量子化学中最常见的任务中收集了这种情况的证据，即基态能量估计，对于一般化学问题，启发式量子态制备可能被认为是有效的。因此，指数量子优势的可用性集中在物理问题的特征是否能够有效地启发式量子态制备，也能够有效地通过经典启发式求解。通过对量子态制备的数值研究和经典启发式的经验复杂性分析（包括误差缩放），在从头算和模型哈密顿设置中，我们得出结论，这种指数优势在化学空间中的证据尚未被发现。虽然量子计算机可能仍然可以通过多项式加速来证明对基态量子化学有用，但谨慎地假设指数加速并不适用于这个问题。在量子化学问题中，量子算法能够提供加速的程度仍然不清楚，人们应该期待的加速类型也不清楚。在这里，作者着眼于基态能量估计问题，并收集理论和数值证据，证明指数量子优势不太可能用于感兴趣的一般问题。
Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem. The extent of problems in quantum chemistry for which quantum algorithms could provide a speedup is still unclear, as well as the kind of speedup one should expect. Here, the authors look at the problem of ground state energy estimation, and gather theoretical and numerical evidence for the fact that an exponential quantum advantage is unlikely for generic problems of interest.
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影响因子：
1.6
作者：
Kempe, J;Kitaev, A;Regev, O
通讯作者：
Regev, O
影响因子：
44.1
作者：
Albash, Tameem;Lidar, Daniel A.
通讯作者：
Lidar, Daniel A.
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56.9
作者：
Aspuru-Guzik, A;Dutoi, AD;Head-Gordon, M
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Head-Gordon, M
影响因子：
3.3
作者：
O'Brien, Thomas E.;Tarasinski, Brian;Terhal, Barbara M.
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Terhal, Barbara M.
影响因子：
5.7
作者：
McClean, Jarrod R.;Babbush, Ryan;Aspuru-Guzik, Alan
通讯作者：
Aspuru-Guzik, Alan