arXiv subjects

Luciano Loris Viteritti

Publications and source records attributed to Luciano Loris Viteritti.

18 recordsLinked to original sources

arXiv2026

Designing Strongly Correlated Quantum Phases of Matter with Foundation Neural-Network Quantum States

Designing a material with a desired property amounts to solving an inverse problem: finding the couplings of a microscopic Hamiltonian whose ground state exhibits that property. For strongly correlated quantum systems, solving this problem efficiently remains largely out of reach. To address this challenge, we present a general framework for ab initio inverse design based on Foundation Neural-Network Quantum States, a recent approach in which the ground states of a family of Hamiltonians are encoded in a single variational wave function. Because the ansatz depends explicitly on the couplings, any target property is a differentiable function of them, and the search for the right Hamiltonian reduces to gradient-based optimization in coupling space. We apply this approach to search for nonmagnetic phases of frustrated Heisenberg models on the square lattice with an increasing number of free next-nearest-neighbor couplings, aiming to identify new quantum spin liquid candidates. With a single coupling, the method recovers the known nonmagnetic window of the square $J_1$-$J_2$ Heisenberg model, whereas letting the two diagonal couplings vary independently reveals an extended nonmagnetic region connecting the square-lattice and anisotropic-triangular-lattice regimes. In a search space of eight independent couplings within a $2\times2$ unit cell, which contains several paradigmatic frustrated spin models, the optimization spontaneously converges to the $J_1$-$J_2$-$δ$ Heisenberg model, in which the diagonal couplings alternate between two values on neighboring plaquettes, a model recently proposed in the context of altermagnetism. Finite-size scaling up to $16\times16$ clusters in this optimal model shows that the ground state has no magnetic, dimer, or plaquette order, establishing it as a new quantum spin liquid candidate, distinct from those previously proposed on the square lattice.

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arXiv2026

Kibble-Zurek Dynamics in Two-dimensional Frustrated Systems with a Neural Foundation-state Subspace Method

Universal scaling generated when a strongly interacting quantum many-body system is driven across a continuous phase transition provides a dynamical probe of equilibrium criticality. Accessing this regime numerically in two dimensions is challenging because it requires accurate real-time evolution of correlated many-body states over many system sizes and driving rates. We introduce a Neural Foundation-state Subspace (NFS) method for near-adiabatic dynamics. A foundation neural-network quantum state represents the ground-state manifold along the driving path, and a small fidelity-selected subset defines a fixed variational subspace. The many-body Schrödinger equation then reduces to the evolution of a few linear coefficients, with projected operators reusable across ramp times. We validate the method on the two-dimensional transverse-field Ising model, recovering the expected Kibble-Zurek scaling and critical exponents in quantitative agreement with ground-state quantum Monte Carlo estimates. Applied to the frustrated square-lattice $J_1$-$J_2$ Heisenberg model up to $16 \times 16$ clusters, our approach provides strong numerical evidence of Kibble-Zurek mechanism across the Néel-to-spin-liquid transition at $J_2/J_1=0.49$, yielding ${ν=1.23(15)}$ and ${η=0.409(19)}$ at fixed $z=1$, consistent with static estimates and supporting the proposed continuous critical behavior.

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arXiv2026

Transformer Neural-Network Quantum States for lattice models of spins and fermions: Application to the Ancilla Layer Model

We introduce a variational wave function based on Neural-Network Quantum States (NQS) to study lattice systems whose local Hilbert space contains both spin and fermionic degrees of freedom. Our approach is based on the use of the Transformer architecture, which can naturally handle composite local Hilbert spaces through a tokenization procedure closely inspired by techniques from natural language processing. The neural network predicts a set of fermionic orbitals that depend on the spin configuration in a backflow-inspired manner. We apply the method to the one-dimensional Ancilla Layer Model, consisting of a chain of mobile spin-$1/2$ fermions coupled to a two-leg spin-$1/2$ ladder. For open boundary conditions, we achieve excellent quantitative agreement with Density Matrix Renormalization Group (DMRG) results across the full range of parameters considered. We find a phase in which the chain forms an effectively decoupled Luttinger liquid (LL), and a LL* phase with a distinct Fermi wavevector in which the mobile fermions are Kondo screened by one leg of the ladder, while the other leg forms the critical Bethe spin liquid. The LL* is the analog of the phase describing the pseudogap in two dimensions. We also find a Luther-Emery (LE) phase, where the LL* state becomes unstable toward the formation of a spin gap. The Transformer Ansatz maintains comparable accuracy for periodic boundary conditions, where tensor-network methods are computationally more demanding. Together, these findings establish Transformer-based NQS as an accurate and scalable variational framework for correlated lattice systems with composite local Hilbert spaces and highlight their potential for studying higher-dimensional models where boundary effects and heterogeneous local structures pose significant challenges.

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arXiv2026

Superconductivity in the $t$-$t'$ Hubbard Model from Symmetry-Preserving Neural-Network Quantum States

Despite its fundamental importance in the theory of strongly correlated electrons, the nature of the ground state of the two-dimensional doped Hubbard model remains intensely debated. Variational approaches provide a powerful route to this problem, but their conclusions can depend sensitively on the chosen wave-function parameterization, the mean-field initialization, or the pinning fields used to guide the optimization, as well as on boundary conditions. This can favor one type of symmetry breaking over another, making it difficult to distinguish the genuine interplay of intertwined or competing orders from biases induced by the variational parameterization. Here, we introduce the Symmetry-Preserving Backflow Pairing (SBP) ansatz, a neural-network wave function that respects translational symmetry by construction and thereby avoids these broken-symmetry minima. The SBP ansatz reaches state-of-the-art variational energies for the $t$-$t'$ Hubbard model on lattices up to $24\times24$ with $504$ electrons, below those of competing pure stripe solutions. By extrapolating to the thermodynamic limit, we find robust evidence for $d$-wave superconducting order, resolving a long-standing question about the $1/8$-doped model at $t'/t=-0.2$ and $U/t=8.0$. Built on general principles of symmetry and locality, the SBP wave function provides a broadly applicable variational representation for challenging interacting fermionic systems.

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arXiv2026

Thermalization Dynamics in the Two-Dimensional Hubbard Model with Neural-Network Quantum States

Thermalization in strongly correlated fermionic systems remains a central open problem in quantum many-body physics. In this work, we investigate the real-time dynamics and the approach to thermalization in the two-dimensional Hubbard model, a paradigmatic framework for correlated electrons, relevant to high-temperature superconductivity and ultracold quantum simulation. Focusing on the half-filled square lattice, we monitor the time evolution of the double occupancy following a quench in the on-site interaction $U$, and assess whether its long-time value is captured by a canonical thermal ensemble. We employ time-dependent variational Monte Carlo methods combined with transformer-based Neural-Network Quantum States to accurately describe the nonequilibrium dynamics of fermions, especially for the behavior at long times, thereby accessing regimes that were previously inaccessible to numerical simulations. Our results reveal two dynamical behaviors: for weak to intermediate interactions, the double occupancy rapidly approaches the thermal prediction, consistent with ergodic evolution; beyond a critical interaction $U_{C}$, the dynamics remains distinct from the thermal expectation on the timescales investigated, revealing signatures of a prethermal plateau delaying fast relaxation. These results establish numerical simulation as a powerful tool to probe nonequilibrium quantum phenomena in correlated fermionic matter.

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arXiv2026

Quantum Spin Glass in the Two-Dimensional Disordered Heisenberg Model via Foundation Neural-Network Quantum States

We investigate the two-dimensional frustrated quantum Heisenberg model with bond disorder on nearest-neighbor couplings using the recently introduced Foundation Neural-Network Quantum States framework, which enables accurate and efficient computation of disorder-averaged observables with a single variational optimization. Simulations on large lattices reveal an extended region of the phase diagram where conventional magnetic long-range order vanishes in the thermodynamic limit, while the Edwards-Anderson order parameter remains finite, signaling the emergence of a quantum spin-glass phase. These findings, supported by a semiclassical analysis based on a large-spin expansion, provide compelling evidence that the spin glass-order is stable against quantum fluctuations, unlike the classical case where it disappears at any finite temperature.

cond-mat.dis-nn↗

arXiv2026

Fermi surface change and $d$-wave superconductivity in the square lattice Kondo-Heisenberg model

We study the two-dimensional Kondo-Heisenberg model on a square lattice, with the conduction electrons away from half-filling, using neural network quantum states. Mapping the ground-state phase diagram as a function of the Kondo and Heisenberg couplings, we identify (i) at weak Kondo coupling, antiferromagnetic Néel order with a Fermi surface whose enclosed area counts only the conduction electrons and is insensitive to the Néel order, and (ii) at strong coupling, a heavy Fermi liquid with a Fermi surface whose enclosed area counts both the conduction electrons and the spins. In the crossover between these regimes, we find $d_{x^2-y^2}$ superconductivity, evidenced by off-diagonal long-range order in the pair-pair correlations and a pairing-amplitude dome that coexists with the underlying magnetic phase. Our results establish Fermi volume change and unconventional superconductivity as intrinsic features of the two-dimensional Kondo-Heisenberg model.

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arXiv2026

Scaling Laws for Neural-Network Quantum States

Scaling laws, the power-law relations between loss, architecture size, and compute observed in modern neural networks, offer a quantitative way to characterize the complexity of a learning problem, with the exponent governing the decay of the loss reflecting how rapidly additional resources translate into improved accuracy, and thus how hard the target is to learn. Whether an analogous framework can characterize the complexity of physical problems remains open. We address this question for Neural-Network Quantum States, a leading variational approach for strongly correlated quantum many-body systems. Using transformer wave functions to approximate ground states of the $J_1$-$J_2$ Heisenberg model on triangular and square lattices with up to $20\times 20$ sites, we find that the $V$-score, a measure of accuracy of a variational state, decays as a power law in training compute. Under an appropriate rescaling of compute, results for different system sizes collapse onto a single curve, analogous to scaling collapse in critical phenomena. The resulting power law is, to a good approximation, independent of the number of sites, showing that the transformer Ansatz is size-consistent for the systems considered. The exponent decreases systematically with frustration, identifying it as a quantitative measure of representational difficulty of the ground state and establishing scaling laws as a general framework for benchmarking variational ansätze.

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arXiv2026

Beyond Variational Bias: Resolving Intertwined Orders in the Hubbard Model

The two-dimensional Hubbard model at finite doping hosts competing or intertwined orders, resulting in conflicting conclusions from different computational approaches regarding its ground state. We show that a key source of such discrepancies is the bias encoded in the variational ansatz. We consider three different Transformer backflow fermionic wave functions based on a Slater determinant, its particle-hole counterpart, and a Pfaffian, initialized without any mean-field pretraining. We show that, despite achieving nearly degenerate, state-of-the-art variational energies, each ansatz converges to a state with qualitatively different spin, charge, and pairing correlations. Upon improving accuracy via symmetry restoration and variance reduction, however, all three converge to the same physical picture: coexisting superconducting and stripe orders. These results demonstrate that variational energy alone is insufficient to identify the ground state in the presence of competing phases, and highlight the importance of tracking how correlation functions evolve as the wave function is systematically improved before drawing physical conclusions.

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arXiv2026

Approaching the Thermodynamic Limit with Neural-Network Quantum States

Accessing the thermodynamic-limit properties of strongly correlated quantum matter requires simulations on very large lattices, a regime that remains challenging for numerical methods, especially in frustrated two-dimensional systems. We introduce the Spatial Attention mechanism, a minimal and physically interpretable inductive bias for Neural-Network Quantum States, implemented as a single learned length scale within the Transformer architecture. This bias stabilizes large-scale optimization and enables access to thermodynamic-limit physics through highly accurate simulations on unprecedented system sizes within the Variational Monte Carlo framework. Applied to the spin-$\tfrac12$ triangular-lattice Heisenberg antiferromagnet, our approach achieves state-of-the-art results on clusters of up to $42\times42$ sites. The ability to simulate such large systems allows controlled finite-size scaling of energies and order parameters, enabling the extraction of experimentally relevant quantities such as spin-wave velocities and uniform susceptibilities. In turn, we find extrapolated thermodynamic limit energies systematically better than those obtained with tensor-network approaches such as iPEPS. The resulting magnetization is strongly renormalized, $M_0=0.148(1)$ (about $30\%$ of the classical value), revealing that less accurate variational states systematically overestimate magnetic order. Analysis of the optimized wave function further suggests an intrinsically non-local sign structure, indicating that the sign problem cannot be removed by local basis transformations. We finally demonstrate the generality of the method by obtaining state-of-the-art energies for a $J_1$-$J_2$ Heisenberg model on a $20\times20$ square lattice, outperforming Residual Convolutional Neural Networks.

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arXiv2025

Foundation Neural-Networks Quantum States as a Unified Ansatz for Multiple Hamiltonians

Foundation models are highly versatile neural-network architectures capable of processing different data types, such as text and images, and generalizing across various tasks like classification and generation. Inspired by this success, we propose Foundation Neural-Network Quantum States (FNQS) as an integrated paradigm for studying quantum many-body systems. FNQS leverage key principles of foundation models to define variational wave functions based on a single, versatile architecture that processes multimodal inputs, including spin configurations and Hamiltonian physical couplings. Unlike specialized architectures tailored for individual Hamiltonians, FNQS can generalize to physical Hamiltonians beyond those encountered during training, offering a unified framework adaptable to various quantum systems and tasks. FNQS enable the efficient estimation of quantities that are traditionally challenging or computationally intensive to calculate using conventional methods, particularly disorder-averaged observables. Furthermore, the fidelity susceptibility can be easily obtained to uncover quantum phase transitions without prior knowledge of order parameters. These pretrained models can be efficiently fine-tuned for specific quantum systems. The architectures trained in this paper are publicly available at https://huggingface.co/nqs-models, along with examples for implementing these neural networks in NetKet.

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arXiv2025

Transformer Wave Function for two dimensional frustrated magnets: emergence of a Spin-Liquid Phase in the Shastry-Sutherland Model

Understanding quantum magnetism in two-dimensional systems represents a lively branch in modern condensed-matter physics. In the presence of competing super-exchange couplings, magnetic order is frustrated and can be suppressed down to zero temperature. Still, capturing the correct nature of the exact ground state is a highly complicated task, since energy gaps in the spectrum may be very small and states with different physical properties may have competing energies. Here, we introduce a variational Ansatz for two-dimensional frustrated magnets by leveraging the power of representation learning. The key idea is to use a particular deep neural network with real-valued parameters, a so-called Transformer, to map physical spin configurations into a high-dimensional feature space. Within this abstract space, the determination of the ground-state properties is simplified and requires only a shallow output layer with complex-valued parameters. We illustrate the efficacy of this variational Ansatz by studying the ground-state phase diagram of the Shastry-Sutherland model, which captures the low-temperature behavior of SrCu$_2$(BO$_3$)$_2$ with its intriguing properties. With highly accurate numerical simulations, we provide strong evidence for the stabilization of a spin-liquid between the plaquette and antiferromagnetic phases. In addition, a direct calculation of the triplet excitation at the $Γ$ point provides compelling evidence for a gapless spin liquid. Our findings underscore the potential of Neural-Network Quantum States as a valuable tool for probing uncharted phases of matter, and open up new possibilities for establishing the properties of many-body systems.

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arXiv2025

Are queries and keys always relevant? A case study on Transformer wave functions

The dot product attention mechanism, originally designed for natural language processing tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships between word pairs in sentences by computing a similarity overlap between queries and keys. In this work, we explore the suitability of Transformers, focusing on their attention mechanisms, in the specific domain of the parametrization of variational wave functions to approximate ground states of quantum many-body spin Hamiltonians. Specifically, we perform numerical simulations on the two-dimensional $J_1$-$J_2$ Heisenberg model, a common benchmark in the field of quantum many-body systems on lattice. By comparing the performance of standard attention mechanisms with a simplified version that excludes queries and keys, relying solely on positions, we achieve competitive results while reducing computational cost and parameter usage. Furthermore, through the analysis of the attention maps generated by standard attention mechanisms, we show that the attention weights become effectively input-independent at the end of the optimization. We support the numerical results with analytical calculations, providing physical insights of why queries and keys should be, in principle, omitted from the attention mechanism when studying large systems.

cond-mat.dis-nn↗

arXiv2024

Equivariant Variational Quantum Eigensolver to detect Phase Transitions through Energy Level Crossings

Level spectroscopy stands as a powerful method for identifying the transition point that delineates distinct quantum phases. Since each quantum phase exhibits a characteristic sequence of excited states, the crossing of energy levels between low-lying excited states offers a reliable mean to estimate the phase transition point. While approaches like the Variational Quantum Eigensolver are useful for approximating ground states of interacting systems using quantum computing, capturing low-energy excitations remains challenging. In our study, we introduce an equivariant quantum circuit that preserves the total spin and the translational symmetry to accurately describe singlet and triplet excited states in the $J_1$-$J_2$ Heisenberg model on a chain, which are crucial for characterizing its transition point. Additionally, we assess the impact of noise on the variational state, showing that conventional mitigation techniques like Zero Noise Extrapolation reliably restore its physical properties.

quant-ph↗

arXiv2024

Fine-tuning Neural Network Quantum States

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 separate NQS from scratch at every point of the phase diagram, we demonstrate that the optimization of a NQS at a highly expressive point of the phase diagram (i.e., close to a phase transition) yields features that can be reused to accurately describe a wide region across the transition. We demonstrate the feasibility of our approach on different systems in one and two dimensions by initially pretraining a NQS at a given point of the phase diagram, followed by fine-tuning only the output layer for all other points. Notably, the computational cost of the fine-tuning step is very low compared to the pretraining stage. We argue that the reduced cost of this paradigm has significant potential to advance the exploration of strongly-correlated systems using NQS, mirroring the success of fine-tuning in machine learning and natural language processing.

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arXiv2024

A simple linear algebra identity to optimize Large-Scale Neural Network Quantum States

Neural-network architectures have been increasingly used to represent quantum many-body wave functions. These networks require a large number of variational parameters and are challenging to optimize using traditional methods, as gradient descent. Stochastic Reconfiguration (SR) has been effective with a limited number of parameters, but becomes impractical beyond a few thousand parameters. Here, we leverage a simple linear algebra identity to show that SR can be employed even in the deep learning scenario. We demonstrate the effectiveness of our method by optimizing a Deep Transformer architecture with $3 \times 10^5$ parameters, achieving state-of-the-art ground-state energy in the $J_1$-$J_2$ Heisenberg model at $J_2/J_1=0.5$ on the $10\times10$ square lattice, a challenging benchmark in highly-frustrated magnetism. This work marks a significant step forward in the scalability and efficiency of SR for Neural-Network Quantum States, making them a promising method to investigate unknown quantum phases of matter, where other methods struggle.

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arXiv2023

Transformer variational wave functions for frustrated quantum spin systems

The Transformer architecture has become the state-of-art model for natural language processing tasks and, more recently, also for computer vision tasks, thus defining the Vision Transformer (ViT) architecture. The key feature is the ability to describe long-range correlations among the elements of the input sequences, through the so-called self-attention mechanism. Here, we propose an adaptation of the ViT architecture with complex parameters to define a new class of variational neural-network states for quantum many-body systems, the ViT wave function. We apply this idea to the one-dimensional $J_1$-$J_2$ Heisenberg model, demonstrating that a relatively simple parametrization gets excellent results for both gapped and gapless phases. In this case, excellent accuracies are obtained by a relatively shallow architecture, with a single layer of self-attention, thus largely simplifying the original architecture. Still, the optimization of a deeper structure is possible and can be used for more challenging models, most notably highly-frustrated systems in two dimensions. The success of the ViT wave function relies on mixing both local and global operations, thus enabling the study of large systems with high accuracy.

cond-mat.dis-nn↗

arXiv2022

Accuracy of Restricted Boltzmann Machines for the one-dimensional $J_1-J_2$ Heisenberg model

Neural networks have been recently proposed as variational wave functions for quantum many-body systems [G. Carleo and M. Troyer, Science 355, 602 (2017)]. In this work, we focus on a specific architecture, known as Restricted Boltzmann Machine (RBM), and analyse its accuracy for the spin-1/2 $J_1-J_2$ antiferromagnetic Heisenberg model in one spatial dimension. The ground state of this model has a non-trivial sign structure, especially for $J_2/J_1>0.5$, forcing us to work with complex-valued RBMs. Two variational Ansätze are discussed: one defined through a fully complex RBM, and one in which two different real-valued networks are used to approximate modulus and phase of the wave function. In both cases, translational invariance is imposed by considering linear combinations of RBMs, giving access also to the lowest-energy excitations at fixed momentum $k$. We perform a systematic study on small clusters to evaluate the accuracy of these wave functions in comparison to exact results, providing evidence for the supremacy of the fully complex RBM. Our calculations show that this kind of Ansätze is very flexible and describes both gapless and gapped ground states, also capturing the incommensurate spin-spin correlations and low-energy spectrum for $J_2/J_1>0.5$. The RBM results are also compared to the ones obtained with Gutzwiller-projected fermionic states, often employed to describe quantum spin models [F. Ferrari, A. Parola, S. Sorella and F. Becca, Phys. Rev. B 97, 235103 (2018)]. Contrary to the latter class of variational states, the fully-connected structure of RBMs hampers the transferability of the wave function from small to large clusters, implying an increase of the computational cost with the system size.

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