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arXiv:2507.17509

Graph Neural Network Approach to Predicting Magnetization in Quasi-One-Dimensional Ising Systems

Victor V. Slavin, O. O. Kryvchikov, Laptev, D.

Published Jul 23, 2025• 0 citations
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Abstract

We present a graph-based deep learning framework for predicting the magnetic properties of quasi-one-dimensional Ising spin systems. The lattice geometry is encoded as a graph and processed by a graph neural network (GNN) followed by fully connected layers. The model is trained on Monte Carlo simulation data and accurately reproduces key features of the magnetization curve, including plateaus, critical transition points, and the effects of geometric frustration. It captures both local motifs and global symmetries, demonstrating that GNNs can infer magnetic behavior directly from structural connectivity. The proposed approach enables efficient prediction of magnetization without the need for additional Monte Carlo simulations.

DOI
10.48550/arxiv.2507.17509

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An approach based on a graph neural network has been developed to recognize phase states and to estimate the critical temperature of finite-size systems within the Ising model. The advantage of the new approach is the explicit specification of the lattice geometry and bond structure using a graph. This allows a unified transfer of equilibrium spin configurations of lattices of different spatial dimensions and geometries to the input of the neural network. This method has been applied to seven different lattices: two-dimensional square, triangular, hexagonal, and two-dimensional Apamea lattice, as well as three-dimensional simple cubic, bcc, and fcc lattices. It has been shown that the critical temperature can be extracted by crossing the output of the neural network with the 1/2 level. Feeding a small sample of equilibrium configurations to the input of a graph neural network allows achieving the mean absolute error 9.7 × 10–3 relative to the reference value TcrefT_{c}^{{{\text{ref}}}}Tcref​ . An additional scaling analysis has been performed for the Apamea lattice, which has shown that the neural network estimate of the critical temperature is consistent with the intersection point of the Binder cumulant curves for systems of different sizes.
Scalable and symmetry-consistent force-field models are essential for extending quantum-accurate simulations to large spatiotemporal scales. While descriptor-based neural networks can incorporate lattice symmetries through carefully engineered features, we show that graph neural networks (GNNs) provide a conceptually simpler and more unified alternative in which discrete lattice translation and point-group symmetries are enforced directly through local message passing and weight sharing. We develop a GNN-based force-field framework for the adiabatic dynamics of lattice Hamiltonians and demonstrate it for the semiclassical Holstein model. Trained on exact-diagonalization data, the GNN achieves high force accuracy, strict linear scaling with system size, and direct transferability to large lattices. Enabled by this scalability, we perform large-scale Langevin simulations of charge-density-wave ordering following thermal quenches, revealing dynamical scaling and anomalously slow sub-Allen–Cahn coarsening. These results establish GNNs as an elegant and efficient architecture for symmetry-aware, large-scale dynamical simulations of correlated lattice systems.
Quantum spin networks represent configurations of spins arranged on a topological lattice, where the spin interactions are governed by the system's Hamiltonian. These networks are critical for understanding magnetic materials, as the arrangement of spins and the type of interaction between neighboring spins determine the macroscopic behavior of the system. The behavior of these systems is further influenced by the presence of external magnetic fields. In this paper, we first investigate the various phases of the two-dimensional Ising lattice with periodic boundary conditions under the influence of a uniform external magnetic field. The exploration of these phases is performed using the Metropolis Monte Carlo (MP-MN) algorithm, a well-established statistical method for simulating spin systems. Subsequently, we explore the potential of deep learning, specifically convolutional neural networks (CNN), in identifying and predicting these phases of spin lattices. The CNN's ability to classify different phases of the two-dimensional Ising model in the presence of a homogeneous magnetic field at a constant temperature is examined. The study aims to demonstrate how machine learning models, particularly CNNs, can effectively detect phase transitions and predict the system's behavior, which traditionally requires extensive computational methods. Finally, the performance of the CNN algorithm is evaluated by assessing its accuracy in predicting different phases of the Ising model.
Scalable and symmetry-consistent force-field models are essential for extending quantum-accurate simulations to large spatiotemporal scales. While descriptor-based neural networks can incorporate lattice symmetries through carefully engineered features, we show that graph neural networks (GNNs) provide a conceptually simpler and more unified alternative in which discrete lattice translation and point-group symmetries are enforced directly through local message passing and weight sharing. We develop a GNN-based force-field framework for the adiabatic dynamics of lattice Hamiltonians and demonstrate it for the semiclassical Holstein model. Trained on exact-diagonalization data, the GNN achieves high force accuracy, strict linear scaling with system size, and direct transferability to large lattices. Enabled by this scalability, we perform large-scale Langevin simulations of charge-density-wave ordering following thermal quenches, revealing dynamical scaling and anomalously slow sub--Allen--Cahn coarsening. These results establish GNNs as an elegant and efficient architecture for symmetry-aware, large-scale dynamical simulations of correlated lattice systems.
Local gauge structures play a central role in a wide range of condensed matter systems and synthetic quantum platforms, where they emerge as effective descriptions of strongly correlated phases and engineered dynamics. We introduce a gauge-invariant graph neural network (GNN) architecture for Abelian lattice gauge models, in which symmetry is enforced explicitly through local gauge-invariant inputs, such as Wilson loops, and preserved throughout message passing, eliminating redundant gauge degrees of freedom while retaining expressive power. We benchmark the approach on both Z2\mathbb{Z}_2Z2​ and U(1)\mathrm{U}(1)U(1) lattice gauge models, achieving accurate predictions of global observables and spatially resolved quantities despite the nonlocal correlations induced by gauge-matter coupling. We further demonstrate that the learned model serves as an efficient surrogate for semiclassical dynamics in U(1)\mathrm{U}(1)U(1) quantum link models, enabling stable and scalable time evolution without repeated fermionic diagonalization, while faithfully reproducing both local dynamics and statistical correlations. These results establish gauge-invariant message passing as a compact and physically grounded framework for learning and simulating Abelian lattice gauge systems.
This study presents a temperature-conditioned deep generative approach for efficiently generating spin configurations of the two-dimensional (2D) Ising model. The method employs a convolutional generator network, conditioned on spin states, temperature embeddings, and random noise, to generate thermodynamically accurate spin configurations on a 2D square lattice. Physics-based constraints, derived from magnetization, energy, and nearest-neighbor correlations obtained via Monte Carlo simulations, are integrated as auxiliary loss terms during training to ensure physical consistency. The model accurately captures phase transition behaviors near the critical temperature and supports the scalable generation of synthetic configurations for further analysis. Investigations across lattice sizes L=16, 32, and 64 demonstrate close alignment with Monte Carlo baselines, with generated configurations achieving mean absolute errors as low as 0.0016 for magnetization, 0.0063 for energy, and 0.0016 for correlation in the L=64 case. Phase classification using standard machine learning models further validates the quality of the generated data, with ensemble classifiers yielding F1 scores above 0.99. These findings highlight the proposed framework as a scalable, computationally efficient solution for generating spin configurations in an Ising model.