arXiv 2605.236972026-05-22quant-ph

噪声和构型恢复对量子选态组态相互作用的影响

Noise and Configuration Recovery Impact on Quantum Selected Configuration Interaction

Donostia International Physics Center (DIPC)（多诺斯蒂亚国际物理中心）；RIKEN Center for Computational Science (R-CCS)（理化学研究所计算科学中心）

Nonia Vaquero-Sabater, Abel Carreras, Lukas Broers, Tomonori Shirakawa, Seiji Yunoki, David Casanova

备注：: 28 pages, 4 figures

AI总结：

本文分析了量子选态组态相互作用（QSCI）结合局域幺正簇Jastrow（LUCJ）拟设的性能，研究了拟设表达性、采样、噪声和构型恢复之间的相互作用，发现无噪声LUCJ采样产生紧凑且有偏的构型空间限制CI能量精度，而采样噪声可增强希尔伯特空间探索，结合构型恢复可系统改善能量。

摘要：

量子选态组态相互作用（QSCI）是一种有前景的混合量子-经典方法，其中量子设备生成用于后续经典对角化的构型。在这里，我们分析了QSCI与局域幺正簇Jastrow（LUCJ）拟设结合的性能，重点关注拟设表达性、采样、噪声和构型恢复之间的相互作用。使用大活性空间中N2的解离作为基准，我们表明无噪声LUCJ采样产生紧凑且有偏的构型空间，限制了所得CI能量的准确性，特别是在强关联区域。通过引入一个简单的噪声模型，我们证明采样噪声可以通过生成超出理想拟设支持的额外构型来增强希尔伯特空间探索。当与构型恢复结合时，这导致系统改善的能量。此外，仅恢复（从随机生成的构型开始）可以高效地构建准确的CI空间，突显了其在QSCI中的核心作用。

英文摘要：

Quantum-selected configuration interaction (QSCI) is a promising hybrid quantum-classical approach in which a quantum device generates configurations for subsequent classical diagonalization. Here, we analyze the performance of QSCI combined with the local unitary cluster Jastrow (LUCJ) ansatz, focusing on the interplay between ansatz expressivity, sampling, noise, and configuration recovery. Using the dissociation of N2 in a large active space as a benchmark, we show that noiseless LUCJ sampling produces compact and biased configurational spaces, limiting the accuracy of the resulting CI energies, particularly in strongly correlated regimes. By introducing a simple noise model, we demonstrate that sampling noise can enhance Hilbert-space exploration by generating additional configurations beyond those supported by the ideal ansatz. When combined with configuration recovery, this leads to systematically improved energies. Moreover, recovery alone (starting from randomly generated configurations) can efficiently construct accurate CI spaces, highlighting its central role in QSCI.

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