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Neural quantum states (NQS) provide a flexible and highly expressive parameterization of wave functions for strongly correlated problems in quantum chemistry. Despite rapid advances in network architectures, the evaluation of electronic…

Chemical Physics · Physics 2026-02-16 Marco Julian Solanki , Lexin Ding , Markus Reiher

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…

Neural quantum states (NQS) have emerged as powerful tools for simulating many-body quantum systems, but their practical use is often hindered by limitations of current sampling techniques. Markov chain Monte Carlo (MCMC) methods suffer…

Quantum Physics · Physics 2025-11-06 Eimantas Ledinauskas , Egidijus Anisimovas

Owing to their great expressivity and versatility, neural networks have gained attention for simulating large two-dimensional quantum many-body systems. However, their expressivity comes with the cost of a challenging optimization due to…

Disordered Systems and Neural Networks · Physics 2025-03-26 Hannah Lange , Guillaume Bornet , Gabriel Emperauger , Cheng Chen , Thierry Lahaye , Stefan Kienle , Antoine Browaeys , Annabelle Bohrdt

Recurrent neural networks are a powerful tool for modeling sequential data, but the dependence of each timestep's computation on the previous timestep's output limits parallelism and makes RNNs unwieldy for very long sequences. We introduce…

Neural and Evolutionary Computing · Computer Science 2016-11-22 James Bradbury , Stephen Merity , Caiming Xiong , Richard Socher

Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…

Chemical Physics · Physics 2023-11-27 Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Hao-En Li , Chang-su Cao , Dingshun Lv , Han-Shi Hu

Programmable quantum simulators based on Rydberg atom arrays are a fast-emerging quantum platform, bringing together long coherence times, high-fidelity operations, and large numbers of interacting qubits deterministically arranged in…

Neural quantum states (NQSs) are powerful variational ans\"atze capable of representing highly entangled quantum many-body wavefunctions. While the average entanglement properties of ensembles of restricted Boltzmann machines are well…

Quantum Physics · Physics 2026-02-11 Andrew Jreissaty , Hang Zhang , Jairo C. Quijano , Juan Carrasquilla , Roeland Wiersema

Neural quantum states (NQS) are a promising approach to study many-body quantum physics. However, they face a major challenge when applied to lattice models: Convolutional networks struggle to converge to ground states with a nontrivial…

Strongly Correlated Electrons · Physics 2020-07-31 Attila Szabó , Claudio Castelnovo

A core technology that has emerged from the artificial intelligence revolution is the recurrent neural network (RNN). Its unique sequence-based architecture provides a tractable likelihood estimate with stable training paradigms, a…

Disordered Systems and Neural Networks · Physics 2020-07-01 Mohamed Hibat-Allah , Martin Ganahl , Lauren E. Hayward , Roger G. Melko , Juan Carrasquilla

Correlator product states (CPS) are a powerful and very broad class of states for quantum lattice systems whose amplitudes can be sampled exactly and efficiently. They work by gluing together states of overlapping clusters of sites on the…

Quantum Physics · Physics 2018-03-16 Stephen R. Clark

Neural quantum states (NQS) are a novel class of variational many-body wave functions that are very flexible in approximating diverse quantum states. Optimization of an NQS ansatz requires sampling from the corresponding probability…

Strongly Correlated Electrons · Physics 2021-09-15 Andrey A. Bagrov , Askar A. Iliasov , Tom Westerhout

Recent progress in the design and optimization of neural-network quantum states (NQSs) has made them an effective method to investigate ground-state properties of quantum many-body systems. In contrast to the standard approach of training a…

Disordered Systems and Neural Networks · Physics 2024-12-18 Riccardo Rende , Sebastian Goldt , Federico Becca , Luciano Loris Viteritti

Recent developments in quantum computing and machine learning have propelled the interdisciplinary study of quantum machine learning. Sequential modeling is an important task with high scientific and commercial value. Existing VQC or…

Neural and Evolutionary Computing · Computer Science 2022-11-07 Samuel Yen-Chi Chen , Daniel Fry , Amol Deshmukh , Vladimir Rastunkov , Charlee Stefanski

We introduce an efficient approach to implement neural network quantum states (NNQS) as trial wavefunctions in auxiliary-field quantum Monte Carlo (AFQMC). NNQS are a recently developed class of variational ans\"atze capable of flexibly…

Chemical Physics · Physics 2025-10-07 Zhi-Yu Xiao , Bowen Kan , Huan Ma , Bowen Zhao , Honghui Shang

Neural Quantum States (NQS) are a class of variational wave functions parametrized by neural networks (NNs) to study quantum many-body systems. In this work, we propose \texttt{SineKAN}, a NQS \textit{ansatz} based on Kolmogorov-Arnold…

We extend Neural Processes (NPs) to sequential data through Recurrent NPs or RNPs, a family of conditional state space models. RNPs model the state space with Neural Processes. Given time series observed on fast real-world time scales but…

Machine Learning · Computer Science 2019-11-07 Timon Willi , Jonathan Masci , Jürgen Schmidhuber , Christian Osendorfer

Recurrent neural networks are the foundation of many sequence-to-sequence models in machine learning, such as machine translation and speech synthesis. In contrast, applied quantum computing is in its infancy. Nevertheless there already…

Machine Learning · Computer Science 2020-10-01 Johannes Bausch

Neural network quantum states (NQS), incorporating with variational Monte Carlo (VMC) method, are shown to be a promising way to investigate quantum many-body physics. Whereas vanilla VMC methods perform one gradient update per sample, we…

Disordered Systems and Neural Networks · Physics 2022-11-01 Feng Chen , Ming Xue

Neural quantum state (NQS) ans\"atze have shown promise in variational Monte Carlo algorithms by their theoretical capability of representing any quantum state. However, the reason behind the practical improvement in their performance with…

Quantum Physics · Physics 2025-03-11 Sidhartha Dash , Luca Gravina , Filippo Vicentini , Michel Ferrero , Antoine Georges