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.
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.
Abstract Quantum computing is an exciting non-Von Neu-mann paradigm, offering provable speedups over classical computing for specific problems. However, the practical limits of classical simulatability for quantum circuits remain unclear, especially with current noisy quantum devices. In this work, we explore the potential of leveraging Large Language Models (LLMs) to simulate the output of a quantum Turing machine using Grover’s quantum circuits, known to provide quadratic speedups over classical counterparts. To this end, we developed GroverGPT, a specialized model based on LLaMA’s 8-billion-parameter architecture, trained on over 15 trillion tokens. Unlike brute-force state-vector simulations, which demand substantial computational resources, GroverGPT employs pattern recognition to approximate quantum search algorithms without explicitly representing quantum states. Analyzing 97K quantum search instances, GroverGPT consistently outperformed OpenAI’s GPT-4o (45% accuracy), achieving nearly 100% accuracy on 6-and 10-qubit datasets when trained on 4-qubit or larger datasets. It also demonstrated strong generalization, surpassing 95% accuracy for systems with over 20 qubits when trained on 3-to 6-qubit data. Analysis indicates GroverGPT captures quantum features of Grover’s search rather than classical patterns, supported by novel prompting strategies to enhance performance. Although accuracy declines with increasing system size, these findings offer insights into the practical boundaries of classical simulatability. This work suggests task-specific LLMs can surpass general-purpose models like GPT-4o in quantum algorithm learning and serve as powerful tools for advancing quantum research.
Grover search, amplitude amplification, and quantum counting all rely on the same reusable subroutine, a phase oracle, whose construction the algorithms literature takes as given: the classical predicate is assumed to be already encoded as a correct, resource-bounded circuit. We turn this assumption into a measured capability. QEncodeBench tasks large language models (LLMs) with encoding classical constraint problems as phase oracles and scores the generated circuits with an adversarially self-validated verifier that decides full solution-set equivalence up to a global phase, with ancillas restored and resource budgets enforced. Sampled basis-state tests, we show, systematically overestimate this ability. Measured this way, models separate sharply: code models without a reasoning mode solve essentially nothing, and enabling native reasoning on identical weights improves accuracy by an order of magnitude. The failures are overwhelmingly semantic rather than syntactic. Two architectures, a unit-verified constraint agent and a neuro-symbolic compilation pipeline, close most of the remaining gap by delegating correctness-critical composition to deterministic procedures. Ablations quantify the contribution of each component, and resource gating exposes an architecture-dependent trade-off between circuit width and depth. Finally, controlled difficulty escalation reveals architecture-specific responses to difficulty structure: different difficulty axes degrade different methods, while the neuro-symbolic pipeline passes every evaluated instance. Code and data are available at https://github.com/chexujun/QEncodeBench.
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.
Large Language Models (LLMs) excel in natural language tasks, but their high-dimensional embedding spaces pose significant interpretability challenges. Current approaches often linearize these spaces, overlooking the complex dynamics inherent in Transformer architectures. This article proposes a quantum framework to analyze LLM representations, leveraging quantum mechanical tools to explore semantic relationships and contextual influences. We introduce a layered hierarchy of semantic spaces and demonstrate that a classical LLM embedding system has an exact quantum mechanical analogue. Using this analogue, we model phenomena such as the modulation of Semantic Noise, the emergence of hallucinations via quantum tunneling, and the formation of stable semantic representations as soliton solutions. Furthermore, we present a simple quantum circuit design, demonstrating the possibility of using quantum computers to probe, analyze and go beyond real-valued LLM embedding spaces, potentially revealing structural information and relationships not readily accessible through classical techniques. This perspective enhances our understanding of LLM representations, leading to improved methods for analyzing and controlling LLM behavior, and supporting research into more efficient, reliable, and trustworthy AI systems.
We present a quantum computing approach to analyzing Large Language Model (LLM) embeddings, leveraging complex-valued representations and modeling semantic relationships using quantum mechanical principles. By establishing a direct mapping between LLM semantic spaces and quantum circuits, we demonstrate the feasibility of estimating semantic similarity using quantum hardware. One of the key results is the experimental calculation of cosine similarity between Google Sentence Transformer embeddings using a real quantum computer, providing a tangible demonstration of a quantum approach to semantic analysis. This work reveals a connection between LLMs and quantum mechanics, suggesting that these principles can offer new perspectives on semantic representation and processing, and paving the way for future development of quantum algorithms for natural language processing.
Quantum circuit verification is a critical yet notoriously challenging task in quantum computing. Full simulation of quantum circuits scales exponentially with the number of qubits and circuit depth, rendering it impractical for even moderately sized circuits. This paper proposes a novel approach to automated theorem proving for quantum circuit verification leveraging abstract interpretation. Our core idea is to approximate the behavior of quantum circuits using abstract interpretations, significantly reducing the computational complexity of the verification process. We outline a framework where abstract domains are constructed to represent the key properties of quantum circuits, such as qubit state fidelities and gate operations. The framework then employs logical reasoning and inference rules based on these abstract representations to automatically determine the correctness of a circuit against a given specification. We demonstrate the feasibility of this approach and discuss its potential to dramatically improve the efficiency and scalability of quantum circuit verification. The key benefit lies in shifting the verification burden from exact simulation to a more tractable abstract analysis.