As quantum software frameworks evolve, developers face increasing challenges in maintaining compatibility with rapidly changing APIs. In this work, we present a novel methodology for refactoring Qiskit code using large language models (LLMs). We begin by extracting a taxonomy of migration scenarios from the different sources of official Qiskit documentation (such as release notes), capturing common patterns such as migration of functionality to different modules and deprecated usage. This taxonomy, along with the original Python source code, is provided as input to an LLM, which is then tasked with identifying instances of migration scenarios in the code and suggesting appropriate refactoring solutions. Our approach is designed to address the context length limitations of current LLMs by structuring the input and reasoning process in a targeted, efficient manner. The results demonstrate that LLMs, when guided by domain-specific migration knowledge, can effectively assist in automating Qiskit code migration. This work contributes both a set of proven prompts and taxonomy for Qiskit code migration from earlier versions to version 0.46 and a methodology to asses the capabilities of LLMs to assist in the migration of quantum code.
As quantum software frameworks evolve, developers face increasing challenges in maintaining compatibility with rapidly changing APIs. In this work, we present a novel methodology for refactoring Qiskit code using large language models (LLMs). We begin by extracting a taxonomy of migration scenarios from the different sources of official Qiskit documentation (such as release notes), capturing common patterns such as migration of functionality to different modules and deprecated usage. This taxonomy, along with the original Python source code, is provided as input to an LLM, which is then tasked with identifying instances of migration scenarios in the code and suggesting appropriate refactoring solutions. Our approach is designed to address the context length limitations of current LLMs by structuring the input and reasoning process in a targeted, efficient manner. The results demonstrate that LLMs, when guided by domain-specific migration knowledge, can effectively assist in automating Qiskit code migration. This work contributes both a set of proven prompts and taxonomy for Qiskit code migration from earlier versions to version 0.46 and a methodology to asses the capabilities of LLMs to assist in the migration of quantum code.
As quantum computing advances, quantum programming libraries' heterogeneity and steady evolution create new challenges for software developers. Frequent updates in software libraries break working code that needs to be refactored, thus adding complexity to an already complex landscape. These refactoring challenges are, in many cases, fundamentally different from those known in classical software engineering due to the nature of quantum computing software. This study addresses these challenges by developing a taxonomy of quantum circuit's refactoring problems, providing a structured framework to analyze and compare different refactoring approaches. Large Language Models (LLMs) have proven valuable tools for classic software development, yet their value in quantum software engineering remains unexplored. This study uses LLMs to categorize refactoring needs in migration scenarios between different Qiskit versions. Qiskit documentation and release notes were scrutinized to create an initial taxonomy of refactoring required for migrating between Qiskit releases. Two taxonomies were produced: one by expert developers and one by an LLM. These taxonomies were compared, analyzing differences and similarities, and were integrated into a unified taxonomy that reflects the findings of both methods. By systematically categorizing refactoring challenges in Qiskit, the unified taxonomy is a foundation for future research on AI-assisted migration while enabling a more rigorous evaluation of automated refactoring techniques. Additionally, this work contributes to quantum software engineering (QSE) by enhancing software development workflows, improving language compatibility, and promoting best practices in quantum programming.
The rapid evolution of Quantum Development Kits (QDKs) introduces a specific form of technical debt that compromises code maintainability and hinders software reuse. In the specialized domain of Quantum Software Engineering (QSE), this challenge is intensified by the scarcity of high-quality training data and the high volatility of emerging frameworks, which often lead general-purpose Large Language Models (LLMs) to produce unreliable or hallucinated results. This paper proposes a hybrid approach integrating LLMs with Retrieval-Augmented Generation (RAG) to automate the migration of Qiskit code across versions. The proposed methodology enhances the precision and reliability of migration suggestions by leveraging an automatically generated taxonomy of migration scenarios as the structured, version-specific knowledge source to guide the models. The approach is implemented through an automated, extensible workflow evaluating LLMs (Google Gemini Flash-2.5 and OpenAI Gpt-oss-20b) under different retrieval schemes (unconstrained and restrictive). Results demonstrate that the taxonomy-based RAG architecture, particularly under the restrictive scheme, significantly reduces hallucinations and improves descriptive quality, with Google Gemini Flash-2.5 showing superior performance in detecting complex refactoring scenarios. These findings confirm the potential of this data-centric methodology to foster technological independence and provide robust, intelligent assistants that mitigate API obsolescence, ensuring the long-term availability of quantum algorithms within a rapidly shifting ecosystem and flattening the learning curve within Quantum Software Engineering (QSE).
Code Large Language Models (Code LLMs) have emerged as powerful tools, revolutionizing the software development landscape by automating the coding process and reducing time and effort required to build applications. This paper focuses on training Code LLMs to specialize in the field of quantum computing. We begin by discussing the unique needs of quantum computing programming, which differ significantly from classical programming approaches or languages. A Code LLM specializing in quantum computing requires a foundational understanding of quantum computing and quantum information theory. However, the scarcity of available quantum code examples and the rapidly evolving field, which necessitates continuous dataset updates, present significant challenges. Moreover, we discuss our work on training Code LLMs to produce high-quality quantum code using the Qiskit library. This work includes an examination of the various aspects of the LLMs used for training and the specific training conditions, as well as the results obtained with our current models. To evaluate our models, we have developed a custom benchmark, similar to HumanEval, which includes a set of tests specifically designed for the field of quantum computing programming using Qiskit. Our findings indicate that our model outperforms existing state-of-the-art models in quantum computing tasks. We also provide examples of code suggestions, comparing our model to other relevant code LLMs. Finally, we introduce a discussion on the potential benefits of Code LLMs for quantum computing computational scientists, researchers, and practitioners. We also explore various features and future work that could be relevant in this context.
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.
There exist various Software Development Kits (SDKs) tailored to different quantum computing platforms. These are known as Quantum SDKs (QSDKs). Examples include but are not limited to Qiskit, Cirq, and PennyLane. However, this diversity presents significant challenges for interoperability and cross-platform development of hybrid quantum-classical software systems. Traditional rule-based transpilers for translating code between QSDKs are time-consuming to design and maintain, requiring deep expertise and rigid mappings in the source and destination code. In this study, we explore the use of Large Language Models (LLMs) as a flexible and automated solution. Leveraging their pretrained knowledge and contextual reasoning capabilities, we position LLMs as programming language-agnostic transpilers capable of converting quantum programs from one QSDK to another while preserving functional equivalence. Our approach eliminates the need for manually defined transformation rules and offers a scalable solution to quantum software portability. This work represents a step toward enabling intelligent, generalpurpose transpilation in the quantum computing ecosystem.
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.