Fine-Tuning Large Language Models for Quantum Reasoning
Authors: Katherine Ip, Casey R. Myers, Udaya Parampalli, James Quach, Peiyong Wang
Organizations: School of Computing and Information Systems, The University of Melbourne, Melbourne, Australia · School of Physics, Mathematics and Computing, The University of Western Australia, 35 Stirling Hwy, Crawley WA, 6009, Australia · Pawsey Supercomputing Centre, 1 Bryce Avenue, Kensington WA, 6151, Australia · CSIRO Clayton, Research Way, Clayton VIC 3168, Australia
Abstract
Large language models (LLMs) exhibit abilities beyond natural language modelling and text generation. Recent advances in their reasoning capabilities have spurred interest in applying LLMs to complex scientific tasks requiring deep domain expertise and sophisticated reasoning. Quantum computing, as a highly specialised field with significant knowledge barriers and hardware constraints, could greatly benefit from such advancements. However, a key open question that first must be answered is: How can we develop fine-tuning pipelines that instil genuine quantum reasoning in LLMs, rather than task-specific pattern matching? We study this question through quantum circuit simulation as a training objective, where the model must predict the measurement probability distribution resulting from a sequence of quantum gate operations. We propose and compare two fine-tuning pipelines: (1) Supervised Fine-Tuning (SFT) on explicit gate-by-gate state-vector simulation traces, and (2) a two-stage SFT+Group Relative Policy Optimisation (GRPO) approach that sequentially applies SFT followed by GRPO with verifiable rewards. Our findings show that SFT achieves near-perfect in-distribution and gate-count extrapolation accuracy, significantly outperforming both the base model and the GPT-OSS-120B baseline. SFT+GRPO trades some in-distribution precision for better generalisation to larger qubit systems that SFT alone cannot handle. Both pipelines significantly outperform the baselines, demonstrating that targeted fine-tuning on explicit reasoning traces is an effective strategy for advancing quantum reasoning in LLMs.
Can Large Language Models (LLMs) understand and reason about quantum operators? Despite their remarkable capabilities in mathematics and symbolic reasoning, LLMs remain inherently blind to quantum representations such as unitary matrices. In this work, we take a step toward bridging this gap by introducing an approach that maps unitary operators into the latent space of an LLM, enabling unified modeling over quantum and linguistic inputs. We instantiate this idea on Clifford+T circuit synthesis over a Pauli rotation gate set, where our model achieves results competitive with state-of-the-art methods and scales consistently with training data, with no signs of saturation. Our approach further enables language-conditioned synthesis, allowing gate constraints unseen during training to be specified directly in natural language. This work suggests a path toward quantum--aware foundation models that can natively interpret and reason about quantum operations, which could have broader implications reaching across quantum compilation and algorithm discovery.
Large language models (LLMs) show strong capabilities in general reasoning but typically lack reliability in scientific domains like quantum mechanics, which demand strict adherence to physical constraints. This limitation arises from the scarcity of verifiable training resources and the inadequacy of coarse feedback signals in standard alignment paradigms. To address the data challenge, we introduce QuantumQA, a large-scale dataset constructed via a task-adaptive strategy and a hybrid verification protocol that combines deterministic solvers with semantic auditing to guarantee scientific rigor. Building on this foundation, we propose the verification-aware reward model (VRM) tailored for Reinforcement Learning with Verifiable Rewards (RLVR), which employs an adaptive reward fusion (ARF) mechanism to dynamically integrate deterministic signals from a scientific execution suite (SES) with multidimensional semantic evaluations for precise supervision. Experimental results demonstrate that our method consistently outperforms baselines and general-purpose preference models. Notably, our optimized 8B model achieves performance competitive with proprietary models, validating that incorporating verifiable, rule-based feedback into the reinforcement learning loop offers a parameter-efficient alternative to pure scaling.
Despite the growing application of Large Language Models (LLMs) to theoretical physics, there is little academic exploration into how domain-specific physics reasoning ability develops while training these models. To investigate this, we perform the first academic fine-tuning study of small (7B-parameter) reasoning models dedicated specifically to theoretical physics. Because open-source verifiable training data required to train such capabilities is scarce, we developed a robust data generation pipeline that can both create synthetic problems and make existing human-authored problems suitable for model training. Selecting Quantum Field Theory (QFT) as our primary domain, we generated over 2,500 synthetic problems alongside a curated collection of human-adapted problems sourced from arXiv and standard pedagogical resources. We conduct both Reinforcement Learning (RL) and Supervised Fine-Tuning (SFT) experiments, benchmarking performance gains as well as generalization to other physics domains. We perform an extensive analysis of model chains-of-though before and after fine-tuning, to understand how reasoning errors evolve during RL and SFT. Finally, we publicly release our data pipeline, verifiable QFT training data, and ∼200M tokens of QFT reasoning traces.
Nathaniel S. Woodward, Zhiqi Gao, Yurii Kvasiuk +3