Autonomous coding agents perform well on many conventional programming tasks, but scientific computing demands a rigorous validation paradigm that extends beyond simple functional test completion: generated code must preserve physical fidelity, differentiable workflows, framework-native semantics, and scalable representations. We introduce Open Research Benchmark for Integrated Tasks in Quantum Computing (ORBIT-Q) to address this gap. At its core, ORBIT-Q contributes a carefully curated suite of complex, research-level quantum workflows that serves as a challenging testbed for modern scientific programming. ORBIT-Q combines a rigorous multi-tier verification pipeline to support two orthogonal comparisons: different agent harness and model configurations at a fixed quantum software framework, and different quantum software frameworks at a fixed agent. In our systematic evaluations, TensorCircuit-NG (TC) exhibits the highest capability and performance efficiency among the evaluated quantum software frameworks under agent-driven programming, and Codex with GPT-5.5 is the strongest tested agent configuration on TC. However, a significant performance and design gap remains between frontier autonomous agents and human expert reference implementations. We further evaluate two efficiency dimensions: agent-side resource use and artifact-side runtime. Together, these results establish ORBIT-Q as a rigorous benchmark for autonomous scientific programming, framework-agent synergy, and quantum software performance.
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7.5 pages, 4 figures with references and supplementary information
Autonomous coding agents perform well on many conventional programming tasks, but scientific computing demands a rigorous validation paradigm that extends beyond simple functional test completion: generated code must preserve physical fidelity, differentiable workflows, framework-native semantics, and scalable representations. We introduce Open Research Benchmark for Integrated Tasks in Quantum Computing (ORBIT-Q) to address this gap. At its core, ORBIT-Q contributes a carefully curated suite of complex, research-level quantum workflows that serves as a challenging testbed for modern scientific programming. ORBIT-Q combines a rigorous multi-tier verification pipeline to support two orthogonal comparisons: different agent harness and model configurations at a fixed quantum software framework, and different quantum software frameworks at a fixed agent. In our systematic evaluations, TensorCircuit-NG (TC) exhibits the highest capability and performance efficiency among the evaluated quantum software frameworks under agent-driven programming, and Codex with GPT-5.5 is the strongest tested agent configuration on TC. However, a significant performance and design gap remains between frontier autonomous agents and human expert reference implementations. We further evaluate two efficiency dimensions: agent-side resource use and artifact-side runtime. Together, these results establish ORBIT-Q as a rigorous benchmark for autonomous scientific programming, framework-agent synergy, and quantum software performance.
Large Language Models (LLMs) are increasingly deployed as quantum coding copilots, assisting researchers by generating complex programs for frameworks such as Qiskit, PennyLane, and OpenQASM. However, accurately evaluating the practical utility of these models remains a significant challenge. Existing benchmarks are highly fragmented, ranging from syntax-centric unit tests to simulator- and hardware-aware metrics, making results difficult to compare across different languages and hardware targets. To address this fragmentation, this paper systematically reviews recent evaluation suites and post-training methodologies for quantum code generation. We distill current evaluation criteria into four practical dimensions: syntax and API validity, semantic and physical correctness, resource and hardware feasibility, and execution-based feedback. Building upon these dimensions, we present a unified taxonomy that maps current benchmarks to emerging model adaptation techniques, specifically retrieval-augmented generation (RAG), fine-tuning, multi-agent workflows, and reinforcement learning (RL). Our analysis highlights a clear shift: moving away from prompt-only baselines and toward agentic workflows driven by quantum-verifiable rewards. This shift directly targets the semantic gap between superficially compilable code and physically executable quantum programs. In addition, we identify key research opportunities-such as standardized semantic metrics and integration with quantum error correction-aimed at fostering a more reproducible, verifiable, and hardware-grounded ecosystem for automated quantum software development.
Quantum programming requires concepts and intuition that differ substantially from those used in traditional programming languages. Multiple quantum programming frameworks address these requirements through different abstractions and execution models, creating tradeoffs in programmability, portability, and performance. Because quantum software is less prevalent in the training data available to large language models, autonomous coding agents might be expected to face additional challenges when working with these frameworks. We present a case study in autonomous migration of the QED-C Application-Oriented Benchmarks from Qiskit to CUDA-Q. Opus, GPT, and Gemini models were each tasked with porting thirteen benchmark methods spanning foundational algorithms, amplitude estimation, Monte Carlo methods, variational optimization, linear-system solving, and factoring. In all cases, the models were able to generate satisfactory ports with little direct coding help and there was a drastic reduction in the time required compared to a human engineer. However, in all cases, the agents resorted to shortcuts when implementation challenges surfaced and multiple prompts were required to force appropriate coding directions. Assessment of the generated implementations showed that no single model consistently produced the best port across all benchmarks, indicating that multi-agent ensemble strategies could mitigate challenges associated with quantum software. The effort resulted in publicly available, near-complete CUDA-Q support in the QED-C benchmarks along with model-generated skills designed to improve agent performance when implementing CUDA-Q applications. When tested on an unseen benchmark, these skills reduced the required model turns by up to 85% and token usage by up to 96%. We conclude by distilling lessons from the case study.
Reliable quantum engineering is essential for turning quantum phenomena into practical technologies. As quantum platforms grow in scale and complexity, their characterization and operation require increasing human effort and coordination. Scientific artificial intelligence agents, which can plan experiments, operate instruments, and analyze observations, offer a promising route towards autonomous quantum engineering. Yet whether current agents can perform reliably in this setting has not been systematically established. To fill this gap, we developed Quantum-Harbor, a virtual laboratory that provides a controlled execution environment for agents to interact with quantum systems. This design enables direct verification of both the actions taken and the conclusions drawn. Building on this framework, we introduce QIQCBench, a benchmark of 49 expert-authored tasks spanning multiple layers including calibration and control, error correction and compilation, sensing and networking. Across 17 frontier agentic systems, QIQCBench reveals wide variation in verified performance. These results expose a substantial gap between demonstrating capability and achieving reliable operation, and establish Quantum-Harbor as a foundation for measuring progress towards verified autonomy in quantum engineering.
We present TensorCircuit-NG, a next-generation quantum software platform designed to bridge the gap between quantum physics, artificial intelligence, and high-performance computing. Moving beyond the scope of traditional circuit simulators, TensorCircuit-NG establishes a unified, tensor-native programming paradigm where quantum circuits, tensor networks, and neural networks fuse into a single, end-to-end differentiable computational graph. Built upon industry-standard machine learning backends (JAX, TensorFlow, PyTorch), the framework introduces comprehensive capabilities for approximate circuit simulation, analog dynamics, fermion Gaussian states, qudit systems, and scalable noise modeling. To tackle the exponential complexity of deep quantum circuits, TensorCircuit-NG implements advanced distributed computing strategies, including automated data parallelism and model-parallel tensor network slicing. We validate these capabilities on GPU clusters, demonstrating a near-linear speedup in distributed variational quantum algorithms. TensorCircuit-NG enables flagship applications, including end-to-end QML for CIFAR-100 computer vision, efficient pipelines from quantum states to neural networks via classical shadows, and differentiable optimization of tensor network states for many-body physics.
AI for science promises to accelerate the discovery process. The advent of large language models (LLMs) and agentic workflows enables the expediting of a growing range of scientific tasks. However, most of the current generation of agentic systems depend on static, hand-curated toolsets that hinder adaptation to new domains and evolving libraries. We present El Agente Forjador, a multi-agent framework in which universal coding agents autonomously forge, validate, and reuse computational tools through a four-stage workflow of tool analysis, tool generation, task execution, and iterative solution evaluation. Evaluated across 24 tasks spanning quantum chemistry and quantum dynamics on five coding agent setups, we compare three operating modes: zero-shot generation of tools per task, reuse of a curriculum-built toolset, and direct problem-solving with the coding agents as the baseline. We find that our tool generation and reuse framework consistently improves accuracy over the baseline. We also show that reusing a toolset built by a stronger coding agent can reduce API cost and substantially raises the solution quality for weaker coding agents. Case studies further demonstrate that tools forged for different domains can be combined to solve hybrid tasks. Taken together, these results show that LLM-based agents can use their scientific knowledge and coding capabilities to autonomously build reusable scientific tools, pointing toward a paradigm in which agent capabilities are defined by the tasks they are designed to solve rather than by explicitly engineered implementations.
Quantum hardware advances now make it practical to explore quantum approaches to scientific problems. Applied quantum computing research sits at the intersection of domain knowledge, algorithms, theoretical physics, device physics, and quantum and classical computational methods. The breadth of expertise required and the inherent project complexity challenge not only any individual researcher, but also generic AI systems. Here, we introduce the Quantum Agentic Operating System (QAOS), a structured agentic research system designed to address this challenge for quantum and computational R&D projects. QAOS is built around a nonlinear workflow graph of heterogeneous multi-agent nodes, with a controlled flow of context and computational resources. It decomposes a complex research project into sandboxed multi-agent tasks executed under constraints from the project graph, task-relevant methodologies, and necessary verification steps. We demonstrate QAOS on a quantum chemistry prototyping task, in which it is asked to set up a minimal model for a proton-transfer problem and to implement its solution using sample-based quantum diagonalization (SQD), together with classical reference methods such as FCI (exact diagonalization) and density functional theory (DFT). We compare the QAOS solution to those obtained with baseline agents (Claude Sonnet 5 with the Claude Code harness). In contrast to QAOS, the baseline agents silently ignore explicit instructions, and the runs show large variability.