Hybrid quantum program failures frequently occur silently, yet existing debugging tools provide limited support for detecting and repairing them. These faults dominate the failures reported by domain experts, yet existing tools evaluate on public data that under-represents this failure mode. Our key insight is that faults divide into two classes that require different strategies: mechanical faults, which allow deterministic analysis, and conceptual faults, which require reconstructing the program's intent. To address this challenge, we present HyQDB, a tiered agent that injects deterministic hardware, physics and optimization evidence into the LLM repair process. When no evidence is detected, the agent treats this silence as a signal to escalate to a second intent-reconstruction tier, that infers the program's behaviour and reconciles it with the implementation. To evaluate HyQDB, we introduce QFaultBench, a benchmark built from an expert-derived fault taxonomy that represents the true failure modes of hybrid programs. On a held-out set of human-authored programs, HyQDB raises repair success over a standard LLM from 45% to 75%. We show that the escalation gate is crucial, giving a 20% improvement in mechanical fault repair accuracy.
Hybrid quantum program failures frequently occur silently, yet existing debugging tools provide limited support for detecting and repairing them. These faults dominate the failures reported by domain experts, yet existing tools evaluate on public data that under-represents this failure mode. Our key insight is that faults divide into two classes that require different strategies: mechanical faults, which allow deterministic analysis, and conceptual faults, which require reconstructing the program's intent. To address this challenge, we present HyQDB, a tiered agent that injects deterministic hardware, physics and optimization evidence into the LLM repair process. When no evidence is detected, the agent treats this silence as a signal to escalate to a second intent-reconstruction tier, that infers the program's behaviour and reconciles it with the implementation. To evaluate HyQDB, we introduce QFaultBench, a benchmark built from an expert-derived fault taxonomy that represents the true failure modes of hybrid programs. On a held-out set of human-authored programs, HyQDB raises repair success over a standard LLM from 45% to 75%. We show that the escalation gate is crucial, giving a 20% improvement in mechanical fault repair accuracy.
Quantum software bugs often yield silent, incorrect outputs rather than explicit errors, making them particularly difficult to detect and repair with conventional techniques. Although large language models (LLMs) have shown strong performance on classical software engineering tasks, their ability to debug quantum code remains largely unexplored. To bridge this gap, we propose QBugLM, a multi-agent framework that automates the quantum software debugging pipeline, from taxonomy-driven bug injection to LLM-based detection and repair, and finally to simulation-based validation, for framework-agnostic OpenQASM 3.0 programs. We further conduct a comprehensive case study using QBugLM to benchmark two LLMs, Claude 4.6 Sonnet and Qwen3 Coder Next, across different prompting strategies, bug categories, and quantum programs. Our results show that iterative feedback is critical, as a single retry raises Pass@1 from below 25% to above 80%. Moreover, simpler structured prompting can even outperform Chain-of-Thought and ReAct for reasoning-capable models under fixed-resource constraints. Our work takes initial steps toward benchmarking LLM capabilities for debugging quantum programs and offers practical insights to support future efforts in automated quantum software repair.
Quantum algorithms and quantum hardware are advancing towards a promising paradigm for scientific applications. However, translating domain-specific problems into executable hybrid quantum-classical workflows remains a significant barrier for application researchers due to the required expertise in quantum algorithms, nuances in quantum programming, and hardware-aware system integration. At the same time, AI and primarily LLM based agents are increasingly capable of interpreting natural-language intent, reasoning over complex workflows, and translating high-level objectives into executable code and building computational pipelines. In this work, we introduce SQD Agent, an LLM-based agentic framework that translates natural-language user intent into executable workflows for Quantum Chemistry applications where algorithms from the Sample-Based Quantum Diagonalization (SQD) family are used. By automating this translation, SQD Agent reduces the level of human expertise and configuration overhead required, thereby simplifying experimentation in hybrid quantum-classical settings for application researchers new to quantum. SQD Agent adopts a modular and extensible architecture that supports seamless integration of heterogeneous quantum backends, classical solvers, and workflow components, ensuring adaptability to rapidly evolving quantum ecosystems. The framework further incorporates interactive capabilities for on-demand profiling, bottleneck analysis, resource optimization, intelligent result caching, and convergence visualization. Key features include quantum chemistry experiments, error mitigation on real quantum hardware, together with analysis of candidate mitigation schemes in terms of their potential error-recovery behavior and computational budget, helping users understand their practical trade-offs and decide which strategies to explore in subsequent experiments.
Quantum simulators are a foundational component of the quantum software ecosystem. They are widely used to develop and debug quantum programs, validate compiler transformations, and support empirical claims about correctness and performance. In the absence of large-scale quantum hardware, simulator outputs are often treated as ground truth for algorithm development and system evaluation. However, quantum simulators also introduce unique implementation challenges. They must faithfully emulate quantum behavior while executing on classical hardware, requiring complex representations of quantum state evolution, operator composition, and noise modeling. Yet, we still lack a large-scale and in-depth study of failures in quantum simulators.
To bridge this gap, this work presents a comprehensive empirical study of bugs in widely used open-source quantum simulators. We analyze 394 confirmed bugs from 12 simulators and manually categorize them based on root causes, failure manifestations, affected components, and discovery mechanisms. Our study reveals several key findings. First, bug discovery is largely user-driven, with most crashes, exceptions, and resource-related failures not detected by automated testing and identified after deployment. Second, logical correctness failures are widespread and often silent, producing plausible but incorrect outputs without triggering crashes or explicit error signals. Third, many critical failures originate in classical simulator infrastructure, such as memory management, indexing, configuration, and dependency compatibility, rather than in core quantum execution logic. These findings provide new insights into the reliability challenges of quantum simulators and highlight opportunities to improve testing and validation practices in the quantum software ecosystem.
Abstract As quantum computers continue to improve in quality and scale, there is a growing need for accessible software frameworks for programming them. However, the unique behavior of quantum systems means specialized approaches, beyond traditional software development, are required. This is particularly true for debugging due to quantum bugs, i.e., bugs that occur precisely because an algorithm is a quantum algorithm. Pinpointing a quantum bug’s root cause often requires significant developer time, as there is little established guidance for quantum debugging techniques. Developing such guidance is the main challenge we sought to address. In this work, we describe a set of 14 quantum bugs, sourced primarily from our experience as quantum software developers, and supplemented by analysis of open-source GitHub repositories. We detail their context, symptoms, and the techniques applied to identify and fix them. While classifying these bugs based on existing schemes, we observed that most emerged due to unique interactions between multiple aspects of an algorithm or workflow. In other words, they occurred because more than one thing went wrong, which provided important insight into why quantum debugging is more challenging. Furthermore, based on this clustering, we found that—unexpectedly—there is no clear relationship between debugging strategies and bug classes. Further research is needed to develop effective and systematic quantum debugging strategies.
Quantum software is increasingly built on fast-moving Python SDKs such as Qiskit, PennyLane, and Cirq. When these SDKs evolve, user programs can fail because execution helpers are removed, import paths change, simulator abstractions shift, device names are deprecated, or circuit export interfaces are revised. Although some failures surface as simple missing-symbol errors, repairing them is not only a syntactic problem: developers must identify the replacement workflow, preserve the quantum-facing intent, and validate behavior under pinned framework versions. This paper presents QEVOLVE-Bench, a small executable seed benchmark for quantum SDK evolution. The current public release contains 14 controlled migration tasks across Qiskit, PennyLane, and Cirq. Each task is a self-contained Python project with pinned dependencies, failing and passing outputs, pytest acceptance checks, metadata, and benchmark notes. The artifact also includes a manifest, sanity checker, representative smoke-test logs, Zenodo archive, screencast, and a lightweight QEVOLVE-Agent prototype that converts task evidence into structured repair proposals. QEVOLVE-Bench is intentionally not a statistically powered benchmark; instead, it is an extensible seed artifact that lowers the setup cost for studying automated repair, LLM-based software engineering, and maintenance of quantum SDK-based projects.
Large language models (LLMs) have increasingly been applied to automatic programming code generation. This task can be viewed as a language generation task that bridges natural language, human knowledge, and programming logic. However, it remains underexplored in domains that require interaction with hardware devices, such as quantum programming, where human coders write Python code that is executed on a quantum computer. To address this gap, we introduce QCoder Benchmark, an evaluation framework that assesses LLMs on quantum programming with feedback from simulated hardware devices. Our benchmark offers two key features. First, it supports evaluation using a quantum simulator environment beyond conventional Python execution, allowing feedback of domain-specific metrics such as circuit depth, execution time, and error classification, which can be used to guide better generation. Second, it incorporates human-written code submissions collected from real programming contests, enabling both quantitative comparisons and qualitative analyses of LLM outputs against human-written codes. Our experiments reveal that even advanced models like GPT-4o achieve only around 18.97% accuracy, highlighting the difficulty of the benchmark. In contrast, reasoning-based models such as o3 reach up to 78% accuracy, outperforming averaged success rates of human-written codes (39.98%). We release the QCoder Benchmark dataset and public evaluation API to support further research. (Codes and datasets are available at https://qcoder-bench.github.io/ )