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arXiv 2408.12944quant-ph
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通过非迭代辅助子空间校正迈向资源优化的动态量子算法

Towards a Resource-Optimized Dynamic Quantum Algorithm via Non-iterative Auxiliary Subspace Corrections

Chayan Patra, Debaarjun Mukherjee, Sonaldeep Halder, Dibyendu Mondal, Rahul Maitra

AI总结:

针对动态构建ansatz导致电路深度激增的问题,提出一种将ansatz分离为核心主成分与辅助成分的理论框架,通过非迭代辅助子空间校正在不增加量子资源的前提下恢复电子关联,实现高精度与资源优化的量子计算。

摘要:

近期,与电子结构理论相关的量子算法主要聚焦于通过选择性包含重要的多体算符,进行基于阈值的 ansatz 动态构建。通过调节阈值以在 ansatz 中包含更多算符,这些方法可以被系统性地提升精度。然而,这种改进是以电路深度的快速激增为代价的,特别是对于强关联分子系统。在本研究中,我们通过开发一种新颖的理论框架来解决这一问题,该框架依赖于将 ansatz 分离为一个动态选择的核心主成分,该主成分在构造上与剩余算符绝热解耦。这使我们能够使用极浅深度的电路执行涉及主成分的计算,而剩余辅助成分的影响则通过一种低成本的非迭代校正被折叠到能量函数中,从而确保所需的精度。我们提出了一种形式体系,能够从主成分参数中解析预测辅助参数,随后提出了一系列具有不同复杂度的非迭代辅助子空间校正技术。这些辅助子空间校正不产生额外的量子资源消耗,却能弥补 ansatz 核心表达能力不足的问题,从而恢复大量的电子关联。我们通过多个强关联分子系统数值验证了我们形式体系的资源效率与精度。

英文摘要:

Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more accurate by tuning the threshold to include more number of operators into the ansatz. However, such improvements come at the cost of rapid proliferation of the circuit depth, especially for highly correlated molecular systems. In this work, we address this issue by the development of a novel theoretical framework that relies on the segregation of an ansatz into a dynamically selected core principal component, which is, by construction adiabatically decoupled from the remaining operators. This enables us to perform computations involving the principal component using extremely shallow-depth circuits whereas, the effect of the remaining auxiliary component is folded into the energy function via a cost-efficient non-iterative correction, ensuring the requisite accuracy. We propose a formalism that analytically predicts the auxiliary parameters from the principal ones, followed by a suite of non-iterative auxiliary subspace correction techniques with different levels of sophistication. The auxiliary subspace corrections incur no additional quantum resources, yet complement an inadequately expressive core of the ansatz to recover significant amount of electronic correlations. We have numerically validated the resource efficiency and accuracy of our formalism with a number of strongly correlated molecular systems.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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