结构化智能体工作流在应用量子计算研究中的演示

中文摘要 AI 辅助

量子硬件的发展使得探索量子方法解决科学问题变得切实可行。应用量子计算研究处于领域知识、算法、理论物理、器件物理以及量子与经典计算方法交汇之处。所需专业知识的广度和项目固有的复杂性不仅对任何单个研究者构成挑战，也对通用人工智能系统构成挑战。在此，我们引入量子智能体操作系统（QAOS），这是一种为量子与计算研发项目应对这一挑战而设计的结构化智能体研究系统。QAOS围绕一个由异构多智能体节点构成的非线性工作流图构建，并带有上下文和计算资源的受控流动。它将复杂的研究项目分解为沙箱化的多智能体任务，这些任务在项目图、任务相关方法论及必要验证步骤的约束下执行。我们在一个量子化学原型设计任务上演示了QAOS，该任务要求为质子转移问题建立一个最小模型，并使用基于样本的量子对角化（SQD）以及经典参考方法如FCI（精确对角化）和密度泛函理论（DFT）来实现其解决方案。我们将QAOS的解决方案与基线智能体（使用Claude Code框架的Claude Sonnet 5）所获得的结果进行比较。与QAOS相反，基线智能体静默地忽略明确指令，且运行结果表现出较大变异性。

英文摘要

Quantum hardware advances now make it practical to explore quantum approaches to scientific problems. Applied quantum computing research sits at the intersection of domain knowledge, algorithms, theoretical physics, device physics, and quantum and classical computational methods. The breadth of expertise required and the inherent project complexity challenge not only any individual researcher, but also generic AI systems. Here, we introduce the Quantum Agentic Operating System (QAOS), a structured agentic research system designed to address this challenge for quantum and computational R&D projects. QAOS is built around a nonlinear workflow graph of heterogeneous multi-agent nodes, with a controlled flow of context and computational resources. It decomposes a complex research project into sandboxed multi-agent tasks executed under constraints from the project graph, task-relevant methodologies, and necessary verification steps. We demonstrate QAOS on a quantum chemistry prototyping task, in which it is asked to set up a minimal model for a proton-transfer problem and to implement its solution using sample-based quantum diagonalization (SQD), together with classical reference methods such as FCI (exact diagonalization) and density functional theory (DFT). We compare the QAOS solution to those obtained with baseline agents (Claude Sonnet 5 with the Claude Code harness). In contrast to QAOS, the baseline agents silently ignore explicit instructions, and the runs show large variability.

发表机构

• Haiqu, Inc.（海奎公司）

机构由 AI 辅助整理，请以论文原文为准。