Although most software engineering work today targets classical systems, quantum computing has become an area of growing interest for developers who want to understand alternative computational models. This thesis addresses the difficulty of learning to construct and reason about quantum circuits by focusing on small, illustrative circuit-based algorithms (Bell states, GHZ states, and a reduced Grover’s search) as structured examples around which an interactive learning platform is built. The aim is to support step-by-step understanding of these circuits while investigating how large language models (LLMs) can assist with circuit generation and explanation. The work presents a web-based platform that allows users to incrementally build circuits, visualize their layer-by-layer evolution, and inspect key properties such as gate composition and measurement probabilities. On top of this platform, two LLM-based assistance strategies are implemented: a stateless baseline that operates solely on naturallanguage prompts, and a context-aware, agentic mode that receives structured information about the current circuit and simulation results. Their behavior is compared in an offline evaluation on a fixed set of exemplar tasks, using a rubric that scores correctness of the resulting circuits, relevance of explanations to the actual circuit, and pedagogical clarity. The results indicate that the agentic, state-aware integration produces more accurate, better-grounded, and more instructionally useful outputs than the stateless baseline on the examined tasks. The thesis contributes an example-driven approach to quantum computing education for software engineers, an inspection-oriented platform design, and empirical evidence that platform-state-aware LLM agents can provide higher-quality assistance than purely prompt-based interaction in this domain.
Although most software engineering work today targets classical systems, quantum computing has become an area of growing interest for developers who want to understand alternative computational models. This thesis addresses the difficulty of learning to construct and reason about quantum circuits by focusing on small, illustrative circuit-based algorithms (Bell states, GHZ states, and a reduced Grover’s search) as structured examples around which an interactive learning platform is built. The aim is to support step-by-step understanding of these circuits while investigating how large language models (LLMs) can assist with circuit generation and explanation. The work presents a web-based platform that allows users to incrementally build circuits, visualize their layer-by-layer evolution, and inspect key properties such as gate composition and measurement probabilities. On top of this platform, two LLM-based assistance strategies are implemented: a stateless baseline that operates solely on naturallanguage prompts, and a context-aware, agentic mode that receives structured information about the current circuit and simulation results. Their behavior is compared in an offline evaluation on a fixed set of exemplar tasks, using a rubric that scores correctness of the resulting circuits, relevance of explanations to the actual circuit, and pedagogical clarity. The results indicate that the agentic, state-aware integration produces more accurate, better-grounded, and more instructionally useful outputs than the stateless baseline on the examined tasks. The thesis contributes an example-driven approach to quantum computing education for software engineers, an inspection-oriented platform design, and empirical evidence that platform-state-aware LLM agents can provide higher-quality assistance than purely prompt-based interaction in this domain.
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.
Machine Learning (ML) has been widely applied across numerous domains due to its ability to automatically identify informative patterns from data for various tasks. The availability of large-scale data and advanced computational power enables the development of sophisticated models and training strategies, leading to state-of-the-art performance, but it also introduces substantial challenges. Quantum Computing (QC), which exploits quantum mechanisms for computation, has attracted growing attention and significant global investment as it may address these challenges. Consequently, Quantum Machine Learning (QML), the integration of these two fields, has received increasing interest, with a notable rise in related studies in recent years. We are motivated to review these existing contributions regarding quantum circuit-based learning models for classical data analysis and highlight the identified potentials and challenges of this technique. Specifically, we focus not only on QML models, both kernel-based and neural network-based, but also on recent explorations of their integration with classical machine learning layers within hybrid frameworks. Moreover, we examine both theoretical analysis and empirical findings to better understand their capabilities, and we also discuss the efforts on noise-resilient and hardware-efficient QML that could enhance its practicality under current hardware limitations. In addition, we cover several emerging paradigms for advanced quantum circuit design and highlight the adaptability of QML across representative application domains. This study aims to provide an overview of the contributions made to bridge quantum computing and machine learning, offering insights and guidance to support its future development and pave the way for broader adoption in the coming years.
Large language models (LLMs) have achieved remarkable outcomes in complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet, few works have explored the potential of LLMs in quantum computing. The most challenging problem is to leverage LLMs to automatically generate quantum circuits at a large scale. Fundamentally, the existing pre-trained LLMs lack the knowledge of quantum circuits. In this paper, we address this challenge by fine-tuning LLMs and injecting the domain-specific knowledge of quantum computing. We describe Agent-Q, an LLM fine-tuning system to generate and optimize quantum circuits. In particular, agentQ implements the mechanisms to generate training data sets and constructs an end-to-end pipeline to fine-tune pre-trained LLMs to generate parameterized quantum circuits for various optimization problems. Agent-Q provides14,000quantum circuits covering a large spectrum of the quantum optimization landscape: 12 optimization problem instances and their optimized QAOA, VQE, and adaptive VQE circuits. Based thereon, Agent-Q fine-tunes LLMs and constructs syntactically correct parametrized quantum circuits in OpenQASM 3.0. We have evaluated the quality of the LLM-generated circuits and parameters by comparing them to the optimized expectation values and distributions. Experimental results show superior performance of Agent-Q, compared to several state-of-the-art LLMs and better parameters than random. Agent-Q can be integrated into an agentic workflow, and the generated parametrized circuits with initial parameters can be used as a starting point for further optimization, e.g., as templates in quantum machine learning and as benchmarks for compilers and hardware.
Understanding the high-level conceptual structure of quantum algorithms from their low-level circuit representations is a critical task for verification, debugging, and education. While traditional numerical simulators can calculate output probabilities, they do not explicitly surface the underlying algorithmic logic, such as the function of an oracle or embedded symmetries. In this work, we shift the focus from numerical simulation to symbolic analysis , investigating whether large language models (LLMs) can automatically interpret quantum circuits and articulate their logic in a human-readable format. We introduce GroverGPT+, a model that leverages Chain-of-Thought reasoning and quantum-native tokenization to analyze Grover’s search algorithm. We use Grover’s algorithm as a controlled testbed, as its well-defined analytical properties allow for rigorous verification of the model’s reasoning process. Our primary finding is that GroverGPT+ successfully identifies the oracle and its marked states directly from circuit representations. The model’s key output is not a final probability, but a structured, interpretable reasoning trace that mirrors human expert analysis, effectively translating procedural circuit steps into conceptual insights. Furthermore, we establish a structured benchmark for this symbolic analysis task and explore its empirical extrapolation, describing the model’s performance as the number of qubits increases. These findings position LLMs as powerful tools for automated quantum algorithm analysis and verification. More fundamentally, this work offers a first step towards using such models as scientific probes, suggesting that an algorithm’s “learnability" by a classical model can provide a new, complementary perspective on its conceptual complexity, a topic of core interest to quantum information science.
Quantum computing offers significant speedup compared to classical computing, which has led to a growing interest among users in learning and applying quantum computing across various applications. However, quantum circuits, which are fundamental for implementing quantum algorithms, can be challenging for users to understand due to their underlying logic, such as the temporal evolution of quantum states and the effect of quantum amplitudes on the probability of basis quantum states. To fill this research gap, we propose QuantumEyes, an interactive visual analytics system to enhance the interpretability of quantum circuits through both global and local levels. For the global-level analysis, we present three coupled visualizations to delineate the changes of quantum states and the underlying reasons: a Probability Summary View to overview the probability evolution of quantum states; a State Evolution View to enable an in-depth analysis of the influence of quantum gates on the quantum states; a Gate Explanation View to show the individual qubit states and facilitate a better understanding of the effect of quantum gates. For the local-level analysis, we design a novel geometrical visualization dandelion chart to explicitly reveal how the quantum amplitudes affect the probability of the quantum state. We thoroughly evaluated QuantumEyes as well as the novel dandelion chart integrated into it through two case studies on different types of quantum algorithms and in-depth expert interviews with 12 domain experts. The results demonstrate the effectiveness and usability of our approach in enhancing the interpretability of quantum circuits.
Variational quantum circuits (VQCs) constitute a central building block of near-term quantum machine learning (QML), yet the principled design of expressive and trainable architectures remains a major open challenge. The VQC design space grows combinatorially with the number of qubits, layers, entanglement structures, and gate parameterizations, rendering manual circuit construction inefficient and often suboptimal. We introduce an autonomous agent-based framework for VQC architecture search that integrates high-level reasoning with a quantum simulation environment. The agent proposes candidate circuit architectures, evaluates them through fully automated training and validation pipelines, and iteratively improves its design strategy via performance-driven feedback. Empirically, we show that the agent autonomously evolves circuit architectures from simple initial ansätze toward increasingly expressive designs, progressively trying to improve task performance. This demonstrates that agentic AI can effectively navigate and refine the VQC design landscape with minimal human intervention, providing a scalable methodology for automated quantum model development in the Noisy Intermediate-Scale Quantum (NISQ) regime.