QASM-Eval: A Dataset to Train and Evaluate LLMs on OpenQASM-3 Beyond Quantum Circuits

We adapt Microsoft's QuantumKatas -- a well-established quantum computing curriculum -- from Q# to Qiskit, the most widely-adopted quantum computing framework, and package it with an evaluation framework for systematic LLM assessment. The resulting benchmark comprises 350 tasks across 26 categories, spanning fundamental gates through advanced algorithms (Grover's, Simon's, Deutsch-Jozsa), error correction, key distribution, and quantum games. Each task includes a natural language prompt, canonical solution, and deterministic test verification via classical circuit simulation. By building on the QuantumKatas' proven pedagogical design rather than creating tasks from scratch, we inherit a principled difficulty progression and comprehensive concept coverage while contributing the framework adaptation, evaluation infrastructure, and empirical analysis. We evaluate 16 LLMs across 7 prompting configurations -- a total of 39,200 model runs -- to demonstrate the benchmark's utility. Three key findings emerge: (1) the benchmark effectively differentiates model capabilities, with best-configuration pass rates ranging from 32.3% to 83.1% and a 26.1 pp average gap between frontier and open-source models; (2) models perform well at implementing known algorithms (SimonsAlgorithm 82.1%, BasicGates 81.6%) but struggle with problem encoding (SolveSATWithGrover 34.4%, DistinguishUnitaries 40.0%); and (3) chain-of-thought prompting shows a modestly bimodal effect -- it is the best strategy for three models (two of them explicitly reasoning-tuned per vendor documentation) but degrades performance for the rest, leaving it mid-pack in aggregate (56.3% mean) behind few-shot-5 (57.8%). We release the benchmark, evaluation framework, and baseline results to support research on LLM capabilities in quantum computing.

The growing complexity of quantum programming frameworks has exposed a critical limitation in existing large language model (LLM)-based code assistants: general-purpose models hallucinate PennyLane-specific gate names, misplace device configurations, and produce structurally invalid circuits when faced with specialized quantum coding challenges. We present PennySynth, a retrieval-augmented generation framework that addresses this gap by conditioning LLM inference on a curated knowledge base of 13,389 PennyLane instruction-code pairs, built via a three-stage extraction, verification, and deduplication pipeline over official PennyLane repositories, community GitHub sources, and QHack competition archives. PennySynth introduces a code-aware embedding strategy using st-codesearch-distilroberta-base, trained for natural-language-to-code retrieval, increasing average retrieval cosine similarity from 0.45 to 0.726 compared to a general-purpose baseline. Evaluated across 74 challenges spanning three years of the QHack competition (2022, 2023, 2024), PennySynth achieves 64%, 68%, and 52% pass@5 on QHack 2022, 2023, and 2024, respectively, improving over Claude Sonnet 4.6 without retrieval by +28, +25, and +28 percentage points. We further introduce a quantum-adapted CodeBLEU metric that upweights qml.* token patterns and show that structural code similarity and functional correctness capture distinct aspects of quantum code quality. Controlled ablations reveal that code-aware embeddings are the primary driver of retrieval performance, while dataset expansion and source composition provide additional gains when retrieval quality is sufficiently precise.

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.