arXiv:2602.12465quant-phcs.LG2026-02

通过局部概率搜索自动优化量子电路结构,提升任务适配性。

Probabilistic Design of Parametrized Quantum Circuits through Local Gate Modifications

  • 基于局部门操作的随机演化策略,动态优化量子电路结构。
  • 在多个化学回归任务中实现优于基准模型的预测性能。
  • 适合量子算法设计者与量子硬件部署研究者参考。

在量子机器学习中,参数化量子电路虽具灵活性,但性能高度依赖任务,手动设计困难。为此,我们提出一种受进化启发的启发式量子架构搜索算法——局部量子架构搜索(local quantum architecture search),通过在固定门级操作集上对现有电路进行局部、概率性搜索,优化参数化量子电路架构。我们在两个合成函数拟合回归任务及两个量子化学回归数据集(包括第一、二周期元素键离解能的BSE49数据集,以及基于数据驱动耦合簇方法生成的水分子构象数据集)上进行了评估。采用态矢量模拟,结果表明该算法可有效发现具备优异性能指标的电路架构。最后,我们分析了所发现电路的特性,并将表现最佳的模型部署于前沿量子硬件上。

原文摘要 · Abstract (English)

Within quantum machine learning, parametrized quantum circuits provide flexible quantum models, but their performance is often highly task-dependent, making manual circuit design challenging. Alternatively, quantum architecture search algorithms have been proposed to automate the discovery of task-specific parametrized quantum circuits using systematic frameworks. In this work, we propose an evolution-inspired heuristic quantum architecture search algorithm, which we refer to as the local quantum architecture search. The goal of the local quantum architecture search algorithm is to optimize parametrized quantum circuit architectures through a local, probabilistic search over a fixed set of gate-level actions applied to existing circuits. We evaluate the local quantum architecture search algorithm on two synthetic function-fitting regression tasks and two quantum chemistry regression datasets, including the BSE49 dataset of bond separation energies for first- and second-row elements and a dataset of water conformers generated using the data-driven coupled-cluster approach. Using state-vector simulation, our results highlight the applicability of local quantum architecture search algorithm for identifying competitive circuit architectures with desirable performance metrics. Lastly, we analyze the properties of the discovered circuits and demonstrate the deployment of the best-performing model on state-of-the-art quantum hardware.

量子机器学习电路优化架构搜索量子化学

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