QuSema: Detecting Silent Bugs in Quantum Libraries via Quantum-knowledge-enhanced Agents

As quantum computing continually improves, ensuring the reliability and correctness of quantum libraries has become increasingly critical. To this end, many LLM-based fuzzing approaches towards quantum libraries have been proposed to uncover potential bugs. However, these methods still suffer from limitations such as insufficient flexibility and low efficiency, which hinder the progress of the quantum computing field. To address these challenges, we propose KQFuzz, a novel knowledge-guided fuzzer for quantum libraries. It leverages comprehensive codebase knowledge to ground LLM-based test generation, synergizing this with fitness-guided evaluation and two-level mutations to explore complex execution paths and trigger potential bugs. Firstly, KQFuzz introduces a novel prompting scheme tailored to quantum programs, which strategically incorporates knowledge of the codebase to efficiently generate high-quality quantum seed programs. Moreover, we develop evaluation and mutation strategies to handle the generated seed programs, facilitating efficient fuzzing execution while further enriching the diversity of the resulting test cases. We implement KQFuzz and conduct fuzzing on three popular quantum libraries, including Qiskit, PennyLane, and Cirq. Experimental results demonstrate that our approach significantly outperforms other state-of-the-art methods, with coverage improved by up to 18.44%. During the development of KQFuzz, we discovered 13 bugs, all of which have been confirmed and 12 have already been fixed by the developers.

Quantum machine learning integrates the strengths of quantum computing and machine learning, enabling models to learn complex features using fewer parameters than their classical counterparts. Due to the increasing complexity of quantum machine learning models, it is necessary to verify that the implementation of these models satisfy the design specification and be free of bugs and faults. Mutation testing is a promising avenue to identify faulty quantum circuits that do not meet design specifications or contain defects by intentionally inserting faults into the quantum circuit. It is necessary to define mutation operations to inject faults into quantum circuits to ensure that a test suite is robust enough to evaluate an implementation against its design specification. In this paper, we extend mutation testing to quantum machine learning applications, primarily quantum neural network models. Specifically, this paper makes two important contributions. We define new mutation operations for efficient fault insertion compared to state-of-the-art approaches. We also present a directed mutation generation technique to reduce redundant mutant circuits. Extensive experimental evaluation demonstrates that our approach generates a more diverse and representative set of mutants, effectively addressing faults that traditional techniques fail to expose.

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.