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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

We present an overview of the method of Neural Quantum States applied to the many-body problem of atomic nuclei. Through the lens of group representation theory, we focus on the problem of constructing neural-network ans\"atze that respect…

Nuclear Theory · Physics 2024-11-19 J. Rozalén Sarmiento , A. Rios

Neural quantum states efficiently represent many-body wavefunctions with neural networks, but the cost of Monte Carlo sampling limits their scaling to large system sizes. Here we address this challenge by combining sparse Boltzmann machine…

Although quantum systems are generally described by quantum state vectors, we show that in certain cases their measurement processes can be reformulated as probabilistic equations expressed in terms of probabilistic state vectors. These…

Neurons and Cognition · Quantitative Biology 2025-10-24 Volker Tresp , Hang Li , Federico Harjes , Yunpu Ma

Tensor networks are used to efficiently approximate states of strongly-correlated quantum many-body systems. More generally, tensor network approximations may allow to reduce the costs for operating on an order-$N$ tensor from exponential…

Strongly Correlated Electrons · Physics 2022-05-31 Hao Chen , Thomas Barthel

An artificial neural network (ANN) with the restricted Boltzmann machine (RBM) architecture was recently proposed as a versatile variational quantum many-body wave function. In this work we provide physical insights into the performance of…

Disordered Systems and Neural Networks · Physics 2020-06-02 Artem Borin , Dmitry A. Abanin

Recent advances in machine-learned interatomic potentials largely benefit from the atomistic representation and locally invariant many-body descriptors. It was however recently argued that including three- (or even four-) body features is…

Chemical Physics · Physics 2021-10-14 Yaolong Zhang , Junfan Xia , Bin Jiang

Recent research has demonstrated the usefulness of neural networks as variational ansatz functions for quantum many-body states. However, high-dimensional sampling spaces and transient autocorrelations confront these approaches with a…

Quantum Physics · Physics 2021-11-29 Robert Klassert , Andreas Baumbach , Mihai A. Petrovici , Martin Gärttner

The model of local Turing machines is introduced, including classical and quantum ones, in the framework of matrix-product states. The locality refers to the fact that at any instance of the computation the heads of a Turing machine have…

Quantum Physics · Physics 2020-03-31 Dong-Sheng Wang

Motivated by recent progress in applying techniques from the field of artificial neural networks (ANNs) to quantum many-body physics, we investigate as to what extent the flexibility of ANNs can be used to efficiently study systems that…

Strongly Correlated Electrons · Physics 2018-05-22 Raphael Kaubruegger , Lorenzo Pastori , Jan Carl Budich

Most state-of-the-art neural network potentials do not account for molecular attributes other than atomic numbers and positions, which limits its range of applicability by design. In this work, we demonstrate the importance of including…

Machine Learning · Computer Science 2025-02-10 Guillem Simeon , Antonio Mirarchi , Raul P. Pelaez , Raimondas Galvelis , Gianni De Fabritiis

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the…

Efficient methods to access the entanglement of a quantum many-body state, where the complexity generally scales exponentially with the system size $N$, have long a concern. Here we propose the Schmidt tensor network state (Schmidt TNS)…

Quantum Physics · Physics 2023-07-18 Peng-Fei Zhou , Ying Lu , Jia-Hao Wang , Shi-Ju Ran

Neural networks (NNs) representing quantum states are typically trained using Markov chain Monte Carlo based methods. However, unless specifically designed, such samplers only consist of local moves, making the slow-mixing problem prominent…

Quantum Physics · Physics 2022-09-28 Yuan-Hang Zhang , Massimiliano Di Ventra

Restricted Boltzmann machines (RBMs) have demonstrated considerable success as variational quantum states; however, their representational power remains incompletely understood. In this work, we present an analytical proof that RBMs can…

Quantum Physics · Physics 2025-05-29 Yuan-Hang Zhang , Zhian Jia , Yu-Chun Wu , Guang-Can Guo

Recurrent neural networks (RNNs) and transformers have been shown to be Turing-complete, but this result assumes infinite precision in their hidden representations, positional encodings for transformers, and unbounded computation time in…

Computational Complexity · Computer Science 2023-09-27 Ankur Mali , Alexander Ororbia , Daniel Kifer , Lee Giles

Variational Monte Carlo calculations have recently reached state-of-the-art accuracy in the approximation of ground state properties of quantum many-body systems. Making use of flexible neural quantum states and automatic differentiation…

Quantum Physics · Physics 2026-05-11 Anton Hul , Matija Medvidović , Juan Carrasquilla

Tensor network states provide successful descriptions of strongly correlated quantum systems with applications ranging from condensed matter physics to cosmology. Any family of tensor network states possesses an underlying entanglement…

Quantum Physics · Physics 2020-09-30 Matthias Christandl , Angelo Lucia , Péter Vrana , Albert H. Werner

Neural networks are a promising tool for characterizing intermediate-scale quantum devices from limited amounts of measurement data. A challenging problem in this area is to learn the action of an unknown quantum process on an ensemble of…

Quantum Physics · Physics 2023-12-06 Yan Zhu , Ya-Dong Wu , Qiushi Liu , Yuexuan Wang , Giulio Chiribella

Tensor network states form a variational ansatz class widely used, both analytically and numerically, in the study of quantum many-body systems. It is known that if the underlying graph contains a cycle, e.g. as in projected entangled pair…

Quantum Physics · Physics 2021-05-26 Matthias Christandl , Fulvio Gesmundo , Daniel Stilck Franca , Albert H. Werner