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.
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.
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.
Large language models (LLMs) promise transformative change to fields as diverse as medical diagnosis, legal services, and software development. One reason for such an impact is LLMs’ ability to make highly technical endeavors more accessible to a broader audience. Accessibility has long been a goal for the growing fields of quantum computing, informatics, and engineering, especially as more quantum systems become publicly available via cloud interfaces. Between programming quantum computers and using LLMs, the latter seems the more accessible task: while leveraging an LLM’s fullest potential requires experience with prompt engineering, any literate person can provide queries and read responses. By contrast, designing and executing quantum programs—outside of those available online—requires significant background knowledge, from selection of operations for algorithm implementation to configuration choices for particular hardware specifications and providers. Current research is exploring LLM utility for classical software development, but there has been relatively little investigation into the same for quantum programming. Consequently, this work is a first look at how well an uncustomized, publicly available LLM can write straightforward quantum circuits. We examine how well OpenAI’s ChatGPT (GPT-4) can write quantum circuits for two hardware providers: the superconducting qubit machines of IBM and the photonic devices of Xanadu. We find that ChatGPT currently fares substantially better with the former.
Large Language Models (LLMs) contribute significantly to the development of conversational AI and has great potentials to assist the scientific research in various areas. This paper attempts to address the following questions: What opportunities do the current generation of generative pre-trained transformers (GPTs) offer for the developments of noisy intermediate-scale quantum (NISQ) technologies? Additionally, what potentials does the forthcoming generation of GPTs possess to push the frontier of research in fault-tolerant quantum computing (FTQC)? In this paper, we implement a QGAS model, which can rapidly propose promising ansatz architectures and evaluate them with application benchmarks including quantum chemistry and quantum finance tasks. Our results demonstrate that after a limited number of prompt guidelines and iterations, we can obtain a high-performance ansatz which is able to produce comparable results that are achieved by state-of-the-art quantum architecture search methods. This study provides a simple overview of GPT's capabilities in supporting quantum computing research while highlighting the limitations of the current GPT at the same time. Additionally, we discuss futuristic applications for LLM in quantum research.
Large Language Models (LLMs) such as GPT and LLaMA have transformed artificial intelligence, but their rapid growth has brought major challenges in computation, energy use, and scalability. Quantum computing (QC) offers a fundamentally different way to process information, with the potential to accelerate key operations in training, inference, optimization, and representation learning. This survey provides a structured and comprehensive review of how QC can support the future development of LLMs. It examines quantum algorithms, hybrid quantum-classical methods, quantum neural networks, quantum embeddings, and security applications. It also evaluates their feasibility in both the current noisy intermediate-scale quantum (NISQ) era and the future fault-tolerant era. The survey highlights current progress, identifies major technical barriers, and outlines practical research directions needed to build scalable, efficient, and secure quantum-enhanced language models.
Large language models (LLMs) have transformed artificial intelligence, yet classical architectures impose a fundamental constraint: every trainable parameter demands classical memory that scales unfavourably with model size. Quantum computing offers a qualitatively different pathway, but practical demonstrations on real hardware have remained elusive for models of practical relevance. Here we show that Cayley-parameterised unitary adapters -- quantum circuit blocks inserted into the frozen projection layers of pre-trained LLMs and executed on a 156-qubit IBM Quantum System Two superconducting processor -- improve the perplexity of Llama 3.1 8B, an 8-billion-parameter model in widespread use, by 1.4% with only 6,000 additional parameters and end-to-end inference validated on real Quantum Processing Unit (QPU). A systematic study on SmolLM2 (135M parameters), chosen for its tractability, reveals monotonically improving perplexity with unitary block dimension, 83% recovery of compression-induced degradation, and correct answers to questions that both classical baselines fail -- with a sharp noise-expressivity phase transition identifying the concrete path to quantum utility at larger qubit scales.
As foundational tools in natural language processing, Large Language Models (LLMs) have immense parameter scales, which makes deployment and inference increasingly prohibitive, especially in resource-constrained devices. Therefore, knowledge distillation for LLMs, i.e., compressing the LLM to a smaller model, is meaningful. With strong parameter representation capacity, quantum computing is regarded as a promising solution. Here, we propose a Quantum knowledge Distillation model for LLMs (QD-LLM) that leverages variational quantum circuits to learn from LLMs. In classical simulation, QD-LLM outperforms several mainstream distillation methods on multiple text classification tasks in terms of both accuracy and efficiency using only 11 qubits. The results reveal an interesting phenomenon that the simulation of quantum student models may be regarded as a new class of quantum-inspired classical algorithms. Remarkably, we deploy the obtained circuits on the Baihua superconducting quantum processor via the Quafu platform to assess practical feasibility. The model maintains stable inference performance despite hardware constraints such as decoherence and finite sampling. In summary, QD-LLM marks a foundational step in connecting quantum computing with LLMs, demonstrating the feasibility of quantum-native approaches that aim to compress and deploy models of increasingly larger scales. The code of this article has been open-sourced at https://github.com/Lilingxiao-bupt/QD-LLM.