Scalable neural quantum states architecture for quantum chemistry

T Zhao, J Stokes, S Veerapaneni - Machine Learning: Science …, 2023 - iopscience.iop.org
Variational optimization of neural-network representations of quantum states has been
successfully applied to solve interacting fermionic problems. Despite rapid developments …

Automated translation and accelerated solving of differential equations on multiple GPU platforms

U Utkarsh, V Churavy, Y Ma, T Besard… - Computer Methods in …, 2024 - Elsevier
We demonstrate a high-performance vendor-agnostic method for massively parallel solving
of ensembles of ordinary differential equations (ODEs) and stochastic differential equations …

NNQS-transformer: an efficient and scalable neural network quantum states approach for ab initio quantum chemistry

Y Wu, C Guo, Y Fan, P Zhou, H Shang - Proceedings of the International …, 2023 - dl.acm.org
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 …

Accelerating variational quantum Monte Carlo using the variational quantum eigensolver

A Montanaro, S Stanisic - arxiv preprint arxiv:2307.07719, 2023 - arxiv.org
Variational Monte Carlo (VMC) methods are used to sample classically from distributions
corresponding to quantum states which have an efficient classical description. VMC …

Impact of conditional modelling for a universal autoregressive quantum state

M Bortone, Y Rath, GH Booth - Quantum, 2024 - quantum-journal.org
We present a generalized framework to adapt universal quantum state approximators,
enabling them to satisfy rigorous normalization and autoregressive properties. We also …

Numerical and geometrical aspects of flow-based variational quantum Monte Carlo

J Stokes, B Chen, S Veerapaneni - Machine Learning: Science …, 2023 - iopscience.iop.org
This article aims to summarize recent and ongoing efforts to simulate continuous-variable
quantum systems using flow-based variational quantum Monte Carlo techniques, focusing …

An empirical study of quantum dynamics as a ground state problem with neural quantum states

V Vargas-Calderón, H Vinck-Posada… - Quantum Information …, 2023 - Springer
Abstract We consider the Feynman–Kitaev formalism applied to a spin chain described by
the transverse-field Ising model. This formalism consists of building a Hamiltonian whose …

Retentive Neural Quantum States: Efficient Ans\" atze for Ab Initio Quantum Chemistry

O Knitter, D Zhao, J Stokes, M Ganahl… - arxiv preprint arxiv …, 2024 - arxiv.org
Neural-network quantum states (NQS) has emerged as a powerful application of quantum-
inspired deep learning for variational Monte Carlo methods, offering a competitive …

Bayesian Modelling Approaches for Quantum States--The Ultimate Gaussian Process States Handbook

Y Rath - arxiv preprint arxiv:2308.07669, 2023 - arxiv.org
Capturing the correlation emerging between constituents of many-body systems accurately
is one of the key challenges for the appropriate description of various systems whose …

Meta-variational quantum Monte Carlo

T Zhao, J Stokes, S Veerapaneni - Quantum Machine Intelligence, 2023 - Springer
Motivated by close analogies between meta-reinforcement learning (Meta-RL) and
variational quantum Monte Carlo with disorder, we propose a learning problem and an …