arXiv Machine Learning

Scalable Message-Passing Quantum Graph Neural Networks in the Weisfeiler-Leman Hierarchy

arXiv:2606. 26873v1 Announce Type: cross Abstract: Graphs provide a natural language for relational data in chemistry, biology and optimisation.

arXiv Machine Learning
Jul 23

Edge-Local and Qubit-Efficient Quantum Graph Learning for the NISQ Era

arXiv:2602. 16018v2 Announce Type: replace-cross Abstract: Graph neural networks (GNNs) are a powerful framework for learning representations from graph-structured data, but their direct implementation on near-term quantum hardware remains challenging due to circuit depth, multi-qubit interactions, and qubit scalability constraints.

By Armin Ahmadkhaniha, Jake Doliskani
arXiv AI
Jul 2

When AI meets quantum information: A comprehensive review

arXiv:2607. 00365v1 Announce Type: cross Abstract: Artificial intelligence (AI) and quantum information (QI) are rapidly co-evolving.

By Min Chen, Yu Gan, Xin Jin, Yuqing Li, Junqi Wang, Zeguan Wu, Yunfei Wang, Bingzhi Zhang, Priyam Srivastava, Tianlong Chen, Ankit Kulshrestha, Yuan Liu, Juan Jos\'e Mendoza-Arenas, Kaushik P. Seshadreesan, Sarvagya Upadhyay, Xueyue Zhang, Quntao Zhuang, Junyu Liu
arXiv Machine Learning
Jun 30

Shoot from the HIP: Hessian Interatomic Potentials without derivatives

arXiv:2509. 21624v3 Announce Type: replace Abstract: Fundamental tasks in computational chemistry, from transition state search to vibrational analysis, rely on molecular Hessians, which are the second derivatives of the potential energy.

By Andreas Burger, Luca Thiede, Nikolaj R{\o}nne, Varinia Bernales, Nandita Vijaykumar, Tejs Vegge, Arghya Bhowmik, Alan Aspuru-Guzik
arXiv Machine Learning
Jul 24

Cautious optimism for deep parameterized quantum circuits

arXiv:2607. 21409v1 Announce Type: cross Abstract: A central challenge in quantum machine learning is understanding the scaling behavior of parameterized quantum circuits (PQCs).

By Marie Kempkes, Elies Gil-Fuster, Carlos Bravo-Prieto, Aroosa Ijaz, Alissa Wilms, Jens Eisert, Evert van Nieuwenburg, Vedran Dunjko