Stochastic representation of many-body quantum states

Hristiana Atanasova, Liam Bernheimer and Guy Cohen ()
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Hristiana Atanasova: Tel Aviv University
Liam Bernheimer: Tel Aviv University
Guy Cohen: Tel Aviv University

Nature Communications, 2023, vol. 14, issue 1, 1-8

Abstract: Abstract The quantum many-body problem is ultimately a curse of dimensionality: the state of a system with many particles is determined by a function with many dimensions, which rapidly becomes difficult to efficiently store, evaluate and manipulate numerically. On the other hand, modern machine learning models like deep neural networks can express highly correlated functions in extremely large-dimensional spaces, including those describing quantum mechanical problems. We show that if one represents wavefunctions as a stochastically generated set of sample points, the problem of finding ground states can be reduced to one where the most technically challenging step is that of performing regression—a standard supervised learning task. In the stochastic representation the (anti)symmetric property of fermionic/bosonic wavefunction can be used for data augmentation and learned rather than explicitly enforced. We further demonstrate that propagation of an ansatz towards the ground state can then be performed in a more robust and computationally scalable fashion than traditional variational approaches allow.

Date: 2023
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DOI: 10.1038/s41467-023-39244-4

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