Quantum computing is increasingly explored for software engineering (SE) optimization, but translating natural-language (NL) task-level requirements into executable quantum applications still demands substantial quantum and programming expertise. We present QPipe, a large language model (LLM)-based multi-agent architecture that autonomously turns NL requirements into traceable quantum-application workflows through specialized agents for requirement parsing, formulation, code generation, review, execution, and verification. We evaluate QPipe on 20 NL requirements, each associated with a real-world benchmark and a test-optimization problem. QPipe successfully completes the key stages of quantum-application generation across requirements, achieving average rates of 100% for code compilation and 96.7% for application execution and final-result combination, with average generation costs of 260.1 seconds and 1.89M tokens per requirement. Among the generated quantum applications that execute successfully, the returned solutions outperform the offline genetic algorithm baseline in most cases. Ablation results further show that QPipe's advantage depends on retaining code-generation skills, task knowledge, review feedback, and multi-agent decomposition. These results indicate that agentic coordination can support generation of executable quantum applications for tackling test optimization problems from real-world benchmarks.
Quantum computing is increasingly explored for software engineering (SE) optimization, but translating natural-language (NL) task-level requirements into executable quantum applications still demands substantial quantum and programming expertise. We present QPipe, a large language model (LLM)-based multi-agent architecture that autonomously turns NL requirements into traceable quantum-application workflows through specialized agents for requirement parsing, formulation, code generation, review, execution, and verification. We evaluate QPipe on 20 NL requirements, each associated with a real-world benchmark and a test-optimization problem. QPipe successfully completes the key stages of quantum-application generation across requirements, achieving average rates of 100% for code compilation and 96.7% for application execution and final-result combination, with average generation costs of 260.1 seconds and 1.89M tokens per requirement. Among the generated quantum applications that execute successfully, the returned solutions outperform the offline genetic algorithm baseline in most cases. Ablation results further show that QPipe's advantage depends on retaining code-generation skills, task knowledge, review feedback, and multi-agent decomposition. These results indicate that agentic coordination can support generation of executable quantum applications for tackling test optimization problems from real-world benchmarks.
Programming quantum circuits at the OpenQASM level is essential for achieving hardware-aware optimization and reliable execution on noisy intermediate-scale quantum (NISQ) devices, yet it remains challenging due to the need for domain-specific planning, iterative code synthesis, and low-level calibration. In this paper, we present QAgent, the first autonomous multi-agent framework for end-to-end OpenQASM code generation. QAgent integrates schema-aware task planning, example- and tool-driven code synthesis, and hardware-aware calibration within a unified planning-synthesis-calibration workflow. The system leverages retrieval-augmented generation (RAG) to access structured kernel knowledge, examples, and backend constraints, and employs coordinated multi-agent reasoning with iterative execution feedback to ensure correctness. We evaluate QAgent on 12 representative quantum kernels and their compositions across five large language models (LLMs). Results show that QAgent improves Pass@1 accuracy by 47-70% on single-kernel tasks and achieves over 88% accuracy on multi-kernel workflows for large models, substantially outperforming existing baselines. Furthermore, under realistic hardware frequency drift, QAgent maintains near-unit execution fidelity through automated calibration, whereas SDK-based LLM methods suffer significant degradation. These results demonstrate that integrating planning, synthesis, and calibration is critical for reliable quantum program generation. The implementation of QAgent is open-sourced at https://github.com/fuzhenxiao/QAgent
Quantum algorithms and quantum hardware are advancing towards a promising paradigm for scientific applications. However, translating domain-specific problems into executable hybrid quantum-classical workflows remains a significant barrier for application researchers due to the required expertise in quantum algorithms, nuances in quantum programming, and hardware-aware system integration. At the same time, AI and primarily LLM based agents are increasingly capable of interpreting natural-language intent, reasoning over complex workflows, and translating high-level objectives into executable code and building computational pipelines. In this work, we introduce SQD Agent, an LLM-based agentic framework that translates natural-language user intent into executable workflows for Quantum Chemistry applications where algorithms from the Sample-Based Quantum Diagonalization (SQD) family are used. By automating this translation, SQD Agent reduces the level of human expertise and configuration overhead required, thereby simplifying experimentation in hybrid quantum-classical settings for application researchers new to quantum. SQD Agent adopts a modular and extensible architecture that supports seamless integration of heterogeneous quantum backends, classical solvers, and workflow components, ensuring adaptability to rapidly evolving quantum ecosystems. The framework further incorporates interactive capabilities for on-demand profiling, bottleneck analysis, resource optimization, intelligent result caching, and convergence visualization. Key features include quantum chemistry experiments, error mitigation on real quantum hardware, together with analysis of candidate mitigation schemes in terms of their potential error-recovery behavior and computational budget, helping users understand their practical trade-offs and decide which strategies to explore in subsequent experiments.
Large Language Models (LLMs) are increasingly deployed as quantum coding copilots, assisting researchers by generating complex programs for frameworks such as Qiskit, PennyLane, and OpenQASM. However, accurately evaluating the practical utility of these models remains a significant challenge. Existing benchmarks are highly fragmented, ranging from syntax-centric unit tests to simulator- and hardware-aware metrics, making results difficult to compare across different languages and hardware targets. To address this fragmentation, this paper systematically reviews recent evaluation suites and post-training methodologies for quantum code generation. We distill current evaluation criteria into four practical dimensions: syntax and API validity, semantic and physical correctness, resource and hardware feasibility, and execution-based feedback. Building upon these dimensions, we present a unified taxonomy that maps current benchmarks to emerging model adaptation techniques, specifically retrieval-augmented generation (RAG), fine-tuning, multi-agent workflows, and reinforcement learning (RL). Our analysis highlights a clear shift: moving away from prompt-only baselines and toward agentic workflows driven by quantum-verifiable rewards. This shift directly targets the semantic gap between superficially compilable code and physically executable quantum programs. In addition, we identify key research opportunities-such as standardized semantic metrics and integration with quantum error correction-aimed at fostering a more reproducible, verifiable, and hardware-grounded ecosystem for automated quantum software development.
Recent advances in large language models (LLMs) have enabled the automation of an increasing number of programming tasks, including code generation for scientific and engineering domains. In rapidly evolving software ecosystems such as quantum software development, where frameworks expose complex abstractions, a central question is how best to incorporate domain knowledge into LLM-based assistants while preserving maintainability as libraries evolve.
In this work, we study specialization strategies for Qiskit code generation using the Qiskit-HumanEval benchmark. We compare a parameter-specialized fine-tuned baseline introduced in prior work against a range of recent general-purpose LLMs enhanced with retrieval-augmented generation (RAG) and agent-based inference with execution feedback.
Our results show that modern general-purpose LLMs consistently outperform the parameter-specialized baseline. While the fine-tuned model achieves approximately 47% pass@1 on Qiskit-HumanEval, recent general-purpose models reach 60-65% under zero-shot and retrieval-augmented settings, and up to 85% for the strongest evaluated model when combined with iterative execution-feedback agents -representing an improvement of more than 20% over zero-shot general-purpose performance and more than 35% over the parameter-specialized baseline.
Agentic execution feedback yields the most consistent improvements, albeit at increased runtime cost, while RAG provides modest and model-dependent gains. These findings indicate that performance gains can be achieved without domain-specific fine-tuning, instead relying on inference-time augmentation, thereby enabling a more flexible and maintainable approach to LLM-assisted quantum software development.
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.
Quantum software bugs often yield silent, incorrect outputs rather than explicit errors, making them particularly difficult to detect and repair with conventional techniques. Although large language models (LLMs) have shown strong performance on classical software engineering tasks, their ability to debug quantum code remains largely unexplored. To bridge this gap, we propose QBugLM, a multi-agent framework that automates the quantum software debugging pipeline, from taxonomy-driven bug injection to LLM-based detection and repair, and finally to simulation-based validation, for framework-agnostic OpenQASM 3.0 programs. We further conduct a comprehensive case study using QBugLM to benchmark two LLMs, Claude 4.6 Sonnet and Qwen3 Coder Next, across different prompting strategies, bug categories, and quantum programs. Our results show that iterative feedback is critical, as a single retry raises Pass@1 from below 25% to above 80%. Moreover, simpler structured prompting can even outperform Chain-of-Thought and ReAct for reasoning-capable models under fixed-resource constraints. Our work takes initial steps toward benchmarking LLM capabilities for debugging quantum programs and offers practical insights to support future efforts in automated quantum software repair.