arXiv:2606.13380quant-phcs.AI2026-06

用大模型自动设计量子电路,省去人工经验依赖。

An LLM System for Autonomous Variational Quantum Circuit Design

论文配图:An LLM System for Autonomous Variational Quantum Circuit Design
图 1 · 摘自论文原文
  • 构建闭环系统,让大模型迭代生成、验证并优化量子电路。
  • 在图像分类中超越经典核方法,在分子能级计算中媲美专家设计。
  • 适合量子算法研发者与自动化科研工具探索者使用。

高质量量子电路的设计仍高度依赖人类经验。我们提出一个自主代理框架,利用大语言模型(LLMs)在明确设计约束下进行迭代式量子电路设计。系统集成七项组件:探索、生成、讨论、验证、存储、评估与评审,形成闭环工作流,融合网络知识获取、文献驱动批判、可执行代码生成与实验反馈。在两个任务上评估:量子机器学习中的特征映射构建,以及量子化学中变分量子本征求解器的试探波函数生成。在图像分类基准测试中,最优生成的特征映射优于典型量子特征映射,且在扩展至更多量子比特时,性能超越经典径向基函数核。在七种分子的基态能量估计中,生成的试探波函数达到与广泛使用的化学启发式和硬件高效构造相当的精度,同时满足指定的缩放约束。结果表明,基于大模型的代理系统是自动化量子电路设计的可行范式,展示了人工智能在跨学科科学优化流程中的协同潜力。

原文摘要 · Abstract (English)

The design of high performing quantum circuits remains largely dependent on human expertise. We introduce an autonomous agentic framework that employs large language models (LLMs) to conduct iterative quantum circuit designs under explicit design constraints. Our system integrates seven components: Exploration, Generation, Discussion, Validation, Storage, Evaluation, and Review. These components form a closed-loop workflow that combines web-based knowledge acquisition, literature-grounded critique, executable code generation, and experimental feedback. We evaluate the framework on two tasks: quantum feature map construction for quantum machine learning and ansatz generation for variational quantum eigensolver applications in quantum chemistry. In image classification benchmarks, the best generated feature map outperforms representative quantum feature maps and, when scaled to larger qubit counts, surpasses the classical radial basis function kernel. In molecular ground state estimation across seven molecules, the generated ansatz attains competitive accuracy with widely used chemically inspired and hardware-efficient constructions while satisfying the imposed scaling constraints. These results establish LLM driven agentic system as a viable paradigm for automated quantum circuit design and illustrate how AI systems can participate in iterative scientific optimization workflows across scientific domains.

量子计算大模型自动化设计

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