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doctoral thesis

Variational Simulation of Lattice Fermions with Neural Quantum States

Romero, Imelda  
2025

Neural quantum states provide a flexible and scalable framework for strongly correlated systems. This thesis develops and benchmarks variational neural ansÀtze for fermionic lattice models, targeting ground states and low-lying excited states, with a particular focus on architectural performance. The constructions embed known structure such as fermionic antisymmetry, lattice translations, and total momentum while learning the remaining correlations efficiently in log amplitude. In the first part, we introduce a single dimensionless, intensive accuracy indicator, the V-score. Defined from the mean energy and energy variance of a state, it enables objective, method-agnostic comparisons across system sizes, interaction strengths, and even distinct momentum sectors, including regimes without exact references. We use it as a unifying measure of variational quality throughout the thesis. In the second part, we introduce a symmetry-aware Slaterâ Backflowâ Jastrow ansatz for spinless fermions in the t-V model. A convolutional backflow is built to be translation equivariant and consistent with particle exchange, allowing quantum-number projection to a fixed momentum without additional forward passes. This state is used to target ground states and momentum-resolved excitations, and to probe ordering tendencies via structure factors. In the third part, we develop a momentum-projected vision-transformer ansatz (DefeViT) for the one-hole t-J family. The state is factorized in a fixed-hole frame with a neural amplitude for the mobile defect, then restored to a chosen total momentum by summing lattice translations with the appropriate fermionic phase. On square lattices and their diagonal extensions (t'-J'), the approach captures ground-state properties and single-hole dispersions and tracks how spin correlators and hole-centered bond textures evolve under frustration. Within this setting, physics-informed neural states provide compact and accurate descriptions of ground states and low-lying excited states.

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Type
doctoral thesis
DOI
10.5075/epfl-thesis-11516
Author(s)
Romero, Imelda  

École Polytechnique Fédérale de Lausanne

Advisors
Carleo, Giuseppe  
Jury

Prof. Laurent Villard (président) ; Prof. Giuseppe Carleo (directeur de thèse) ; Prof. Oleg Yazyev, Dr Markus Holzmann, Dr Alessandro Lovato (rapporteurs)

Date Issued

2025

Publisher

EPFL

Publisher place

Lausanne

Public defense year

2025-11-28

Thesis number

11516

Total of pages

132

Subjects

neural quantum states

•

strongly-correlated fermions

•

quantum physics

•

computational physics

•

lattice fermions

•

variational simulation

•

variational monte carlo

EPFL units
CQSL  
Faculty
SB  
School
IPHYS  
Doctoral School
EDPY  
Available on Infoscience
November 24, 2025
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/256289
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