Bulletin of the American Physical Society
2024 APS March Meeting
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session T60: Machine Learning of Molecules and Materials: Materials II
11:30 AM–2:30 PM,
Thursday, March 7, 2024
Room: 207AB
Sponsoring
Unit:
DCOMP
Chair: Jessica A. Martinez B., Rutgers University - Newark
Abstract: T60.00008 : Spectroscopy of two-dimensional interacting lattice electrons using symmetry-awareneural backflow transformations*
1:18 PM–1:30 PM
Presenter:
Imelda Romero
(École Polytechnique Fédérale de Lausanne)
Authors:
Imelda Romero
(École Polytechnique Fédérale de Lausanne)
Jannes Nys
(École Polytechnique Fédérale de Lausanne (EPFL))
Giuseppe Carleo
(EPFL)
fermionic systems. In this paper, we introduce a framework for embedding lattice symmetries in
Slater-Backflow-Jastrow wavefunction ansatze, and demonstrate how our model allows us to map the
ground state and low-lying excited states. To capture the Hamiltonian symmetries, we introduce
group-equivariant backflow transformations. We benchmark our ansatz on the t-V model on a
squared lattice and find that it significantly decreases the relative error when searching for ground
states, and accurately accesses low-lying excited states.In addition, our ansatz is able to compute
other observables such as the two-point-density correlation function and the structure factor in
order to detect the phase transiton critical point. Finally, we quantify the variational accuracy of
the model with the V-score.
*Swiss National Science Foundation under Grant No. 200021_200336
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