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arXiv · 2509.04923

Artificial intelligence for representing and characterizing quantum systems

Yuxuan Du·Yan Zhu·Yuan-Hang Zhang·Min-Hsiu Hsieh·Patrick Rebentrost·Weibo Gao·Ya-Dong Wu·Jens Eisert·Giulio Chiribella·Dacheng Tao·Barry C. Sanders
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Abstract

Efficient characterization of large-scale quantum systems, especially those produced by quantum analog simulators and megaquop quantum computers, poses a central challenge in quantum science due to the exponential scaling of the Hilbert space with respect to system size. Recent advances in artificial intelligence (AI), with its aptitude for high-dimensional pattern recognition and function approximation, have emerged as a powerful tool to address this challenge. A growing body of research has leveraged AI to represent and characterize scalable quantum systems, spanning from theoretical foundations to experimental realizations. Depending on how prior knowledge and learning architectures are incorporated, the integration of AI into quantum system characterization can be categorized into three synergistic paradigms: machine learning, and, in particular, deep learning and language models. This review discusses how each of these AI paradigms contributes to two core tasks in quantum systems characterization: quantum property prediction and the construction of surrogates for quantum states. These tasks underlie diverse applications, from quantum certification and benchmarking to the enhancement of quantum algorithms and the understanding of strongly correlated phases of matter. Key challenges and open questions are also discussed, together with future prospects at the interface of AI and quantum science.

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Yuxuan Du, Yan Zhu, Yuan-Hang Zhang, Min-Hsiu Hsieh, Patrick Rebentrost, Weibo Gao, Ya-Dong Wu, Jens Eisert, Giulio Chiribella, Dacheng Tao, Barry C. Sanders. 2025-09-05. Artificial intelligence for representing and characterizing quantum systems. https://doi.org/10.1038/s42254-026-00962-5

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