Quantum computers have the potential to revolutionize diverse fields, including quantum chemistry, materials science, and machine learning. However, contemporary quantum computers experience errors that often cause quantum programs run on them to fail. Until quantum computers can reliably execute large quantum programs, stakeholders will need fast and reliable methods for assessing a quantum computer's capability--i.e., the programs it can run and how well it can run them. Previously, off-the-shelf neural network architectures have been used to model quantum computers' capabilities, but with limited success, because these networks fail to learn the complex quantum physics that determines real quantum computers' errors. We address this shortcoming with a new quantum-physics-aware neural network architecture for learning capability models. Our scalable architecture combines aspects of graph neural networks with efficient approximations to the physics of errors in quantum programs. This approach achieves up to $\sim50\%$ reductions in mean absolute error on both experimental and simulated data, over state-of-the-art models based on convolutional neural networks, and scales to devices with 100+ qubits.

There exist various Software Development Kits (SDKs) tailored to different quantum computing platforms. These are known as Quantum SDKs (QSDKs). Examples include but are not limited to Qiskit, Cirq, and PennyLane. However, this diversity presents significant challenges for interoperability and cross-platform development of hybrid quantum-classical software systems. Traditional rule-based transpilers for translating code between QSDKs are time-consuming to design and maintain, requiring deep expertise and rigid mappings in the source and destination code. In this study, we explore the use of Large Language Models (LLMs) as a flexible and automated solution. Leveraging their pretrained knowledge and contextual reasoning capabilities, we position LLMs as programming language-agnostic transpilers capable of converting quantum programs from one QSDK to another while preserving functional equivalence. Our approach eliminates the need for manually defined transformation rules and offers a scalable solution to quantum software portability. This work represents a step toward enabling intelligent, general-purpose transpilation in the quantum computing ecosystem.

Multi-agent frameworks with Large Language Models (LLMs) have become promising tools for generating general-purpose programming languages using test-driven development, allowing developers to create more accurate and robust code. However, their potential has not been fully unleashed for domain-specific programming languages, where specific domain exhibits unique optimization opportunities for customized improvement. In this paper, we take the first step in exploring multi-agent code generation for quantum programs. By identifying the unique optimizations in quantum designs such as quantum error correction, we introduce a novel multi-agent framework tailored to generating accurate, fault-tolerant quantum code. Each agent in the framework focuses on distinct optimizations, iteratively refining the code using a semantic analyzer with multi-pass inference, alongside an error correction code decoder. We also examine the effectiveness of inference-time techniques, like Chain-of-Thought (CoT) and Retrieval-Augmented Generation (RAG) in the context of quantum programming, uncovering observations that are different from general-purpose code generation. To evaluate our approach, we develop a test suite to measure the impact each optimization has on the accuracy of the generated code. Our findings indicate that techniques such as structured CoT significantly improve the generation of quantum algorithms by up to 50%. In contrast, we have also found that certain techniques such as RAG show limited improvement, yielding an accuracy increase of only 4%. Moreover, we showcase examples of AI-assisted quantum error prediction and correction, demonstrating the effectiveness of our multi-agent framework in reducing the quantum errors of generated quantum programs.

Exceptional added value may lie in connecting two complementary areas of computer science. This statement is particularly true when applying mature techniques developed in one area to solve complex problems that arise in a new area. The accompanying paper, "An Automata-Based Framework for Verification and Bug Hunting in Quantum Circuits" by Lengál et al., is a case in point. It applies techniques developed in logic, automata, and symbolic verification to analyze the correctness of quantum programs. The current quest of quantum computing is achieving quantum supremacy--that is, to reach the point where we solve problems that are practically unsolvable using conventional computing.

Quantum computers have the potential to revolutionize diverse fields, including quantum chemistry, materials science, and machine learning. However, contemporary quantum computers experience errors that often cause quantum programs run on them to fail. Until quantum computers can reliably execute large quantum programs, stakeholders will need fast and reliable methods for assessing a quantum computer's capability--i.e., the programs it can run and how well it can run them. Previously, off-the-shelf neural network architectures have been used to model quantum computers' capabilities, but with limited success, because these networks fail to learn the complex quantum physics that determines real quantum computers' errors. We address this shortcoming with a new quantum-physics-aware neural network architecture for learning capability models.

Quantum computers have the potential to revolutionize diverse fields, including quantum chemistry, materials science, and machine learning. However, contemporary quantum computers experience errors that often cause quantum programs run on them to fail. Until quantum computers can reliably execute large quantum programs, stakeholders will need fast and reliable methods for assessing a quantum computer's capability-i.e., the programs it can run and how well it can run them. Previously, off-the-shelf neural network architectures have been used to model quantum computers' capabilities, but with limited success, because these networks fail to learn the complex quantum physics that determines real quantum computers' errors. We address this shortcoming with a new quantum-physics-aware neural network architecture for learning capability models. Our architecture combines aspects of graph neural networks with efficient approximations to the physics of errors in quantum programs. This approach achieves up to $\sim50\%$ reductions in mean absolute error on both experimental and simulated data, over state-of-the-art models based on convolutional neural networks.

To realize reliable quantum software, techniques to automatically ensure the quantum software's correctness have recently been investigated. However, they primarily focus on fixed quantum circuits rather than the procedure of building quantum circuits. Despite being a common approach, the correctness of building circuits using different parameters following the same procedure is not guaranteed. To this end, we propose a design-by-contract framework for quantum software. Our framework provides a python-embedded language to write assertions on the input and output states of all quantum circuits built by certain procedures. Additionally, it provides a method to write assertions about the statistical processing of measurement results to ensure the procedure's correctness for obtaining the final result. These assertions are automatically checked using a quantum computer simulator. For evaluation, we implemented our framework and wrote assertions for some widely used quantum algorithms. Consequently, we found that our framework has sufficient expressive power to verify the whole procedure of quantum software.

Shaukat Ali is a chief research scientist, research professor, and head of department at Simula Research Laboratory, Oslo, Norway. Tao Yue is an adjunct research scientist at Simula Research Laboratory, Oslo, Norway. Rui Abreu is a professor at the University of Porto, Portugal.