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In this work, we extend the class of previously introduced non-Euclidean neural quantum states (NQS) which consists only of Poincar\'e hyperbolic GRU, to new variants including Poincar\'e RNN as well as Lorentz RNN and Lorentz GRU. In…

Quantum Physics · Physics 2026-04-28 H. L. Dao

Neural quantum states (NQS) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly-correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the…

Neural network quantum states (NQS) have emerged as a powerful and flexible framework for addressing quantum many-body problems. While successful for model Hamiltonians, their application to molecular systems remains challenging for several…

Chemical Physics · Physics 2025-07-28 Zibo Wu , Bohan Zhang , Wei-Hai Fang , Zhendong Li

Neural-network quantum states (NQS) are powerful neural-network ans\"atzes that have emerged as promising tools for studying quantum many-body physics through the lens of the variational principle. These architectures are known to be…

Disordered Systems and Neural Networks · Physics 2025-07-28 Jake McNaughton , Mohamed Hibat-Allah

Neural quantum states (NQS) have gained prominence in variational quantum Monte Carlo methods in approximating ground-state wavefunctions. Despite their success, they face limitations in optimization, scalability, and expressivity in…

Quantum Physics · Physics 2025-01-22 Zongkang Zhang , Ying Li , Xiaosi Xu

Non-Hermitian (NH) quantum systems have emerged as a powerful framework for describing open quantum systems, non-equilibrium dynamics, and engineered quantum optical materials. However, solving the ground-state properties of NH systems is…

Quantum Physics · Physics 2025-12-17 Lavoisier Wah , Remmy Zen , Flore K. Kunst

In recent years, neural network quantum states (NNQS) have emerged as powerful tools for the study of quantum many-body systems. Electronic structure calculations are one such canonical many-body problem that have attracted significant…

Chemical Physics · Physics 2022-01-27 Thomas D. Barrett , Aleksei Malyshev , A. I. Lvovsky

The ground state of second-quantized quantum chemistry Hamiltonians is key to determining molecular properties. Neural quantum states (NQS) offer flexible and expressive wavefunction ansatze for this task but face two main challenges:…

Chemical Physics · Physics 2025-06-18 An-Jun Liu , Bryan K. Clark

The rapid growth of modern machine learning (ML) models presents fundamental challenges in parameter efficiency and computational resource requirements. This study introduces the Quantum Recurrent Unit (QRU), a novel quantum neural network…

Quantum Physics · Physics 2026-01-28 Tzong-Daw Wu , Hsi-Sheng Goan

We propose a hybrid variational framework that enhances Neural Quantum States (NQS) with a Normalising Flow-based sampler to improve the expressivity and trainability of quantum many-body wavefunctions. Our approach decouples the sampling…

Quantum Physics · Physics 2025-06-17 Vishal S. Ngairangbam , Michael Spannowsky , Timur Sypchenko

Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we…

Machine Learning · Computer Science 2019-10-30 Qi Liu , Maximilian Nickel , Douwe Kiela

We present a hybrid quantum-classical recurrent neural network (QRNN) architecture in which the recurrent core is realized as a parametrized quantum circuit (PQC) controlled by a classical feedforward network. The hidden state is the…

Machine Learning · Computer Science 2025-11-05 Wenduan Xu

Neural network quantum state (NNQS) has emerged as a promising candidate for quantum many-body problems, but its practical applications are often hindered by the high cost of sampling and local energy calculation. We develop a…

Quantum Physics · Physics 2023-11-02 Yangjun Wu , Chu Guo , Yi Fan , Pengyu Zhou , Honghui Shang

The rapid development of neural quantum states (NQS) has established it as a promising framework for studying quantum many-body systems. In this work, by leveraging the cutting-edge transformer-based architectures and developing highly…

Strongly Correlated Electrons · Physics 2025-07-11 Yuntian Gu , Wenrui Li , Heng Lin , Bo Zhan , Ruichen Li , Yifei Huang , Di He , Yantao Wu , Tao Xiang , Mingpu Qin , Liwei Wang , Dingshun Lv

Recurrent neural networks (RNNs), originally developed for natural language processing, hold great promise for accurately describing strongly correlated quantum many-body systems. Here, we employ 2D RNNs to investigate two prototypical…

Strongly Correlated Electrons · Physics 2023-10-27 Mohamed Hibat-Allah , Roger G. Melko , Juan Carrasquilla

Projected variational wavefunctions such as the Gutzwiller, many-body correlator and Jastrow ansatzes have provided crucial insight into the nature of superfluid-Mott insulator transition in the Bose Hubbard model (BHM) in two or more…

Quantum Gases · Physics 2024-10-08 Michael Y. Pei , Stephen R. Clark

Generative models are a promising technology for the enhancement of quantum simulators. These machine learning methods are capable of reconstructing a quantum state from experimental measurements, and can aid in the calculation of physical…

Quantum Physics · Physics 2021-07-07 Stewart Morawetz , Isaac J. S. De Vlugt , Juan Carrasquilla , Roger G. Melko

Recurrent neural networks (RNNs) are a class of neural networks that have emerged from the paradigm of artificial intelligence and has enabled lots of interesting advances in the field of natural language processing. Interestingly, these…

Disordered Systems and Neural Networks · Physics 2024-01-17 Mohamed Hibat-Allah , Roger G. Melko , Juan Carrasquilla

Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign…

Strongly Correlated Electrons · Physics 2025-10-14 M. Schuyler Moss , Roeland Wiersema , Mohamed Hibat-Allah , Juan Carrasquilla , Roger G. Melko

Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces.…

Machine Learning · Computer Science 2019-12-09 Yiding Zhang , Xiao Wang , Xunqiang Jiang , Chuan Shi , Yanfang Ye
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