Reconstruction of spin structures from topological charge distributions via generative neural network systems

K Kyra H. M. Klos (Institute of Physics, Johannes Gutenberg-University Mainz 1 , 55128 Mainz,) J Jan Disselhoff (Institute of Computer Science, Johannes Gutenberg-University Mainz 2 , 55128 Mainz,) M Michael Wand (Institute of Computer Science, Johannes Gutenberg-University Mainz 2 , 55128 Mainz,) K Karin Everschor-Sitte (Faculty of Physics and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen 3 , 47057 Duisburg,) F Friederike Schmid (Institute of Physics, Johannes Gutenberg-University Mainz 1 , 55128 Mainz,)

Abstract

Localized topological defects inherently possess a multiscale character. While their microstructure configuration depends on the specific physical system, their topological features and mutual interactions can be described on the macroscale in terms of a particle representation. However, determining the physical properties associated with a given defect pattern often requires knowledge of the underlying microscopic structure. In this study, we extend a Wasserstein generative adversarial neural network by incorporating physical constraints and Fourier-space information to generate microscopic spin configurations consistent with prescribed macroscopic patterns and thermodynamic parameters. Using the two-dimensional XY model as a test case, where vortex–antivortex pairs act as long-range interacting defects, we show that the model generates spin configurations that accurately reproduce magnetization, susceptibility, helicity modulus, and spin–spin correlations over a wide range of temperatures below the Kosterlitz–Thouless transition. At the same time, deviations in the specific heat reveal limitations in reproducing higher-order energy fluctuations. A complementary analysis based on topological data analysis uncovers subtle differences in global spin-correlation structures at near-critical temperatures that are not apparent from conventional correlation functions alone. These results demonstrate both the promise and current limitations of generative approaches for multiscale studies of defect-dominated spin systems and, at the same time, highlight topological methods as valuable tools for characterizing critical behavior.

Article Details

Volume / Issue Vol. 164, Issue 19
Published May 21, 2026
ISSN 0021-9606
Publisher American Institute of Physics

Journal Info

The Journal of Chemical Physics

American Institute of Physics

ISSN: 0021-9606 Physical Sciences

Authors (5)

K

Kyra H. M. Klos

Institute of Physics, Johannes Gutenberg-University Mainz 1 , 55128 Mainz,

J

Jan Disselhoff

Institute of Computer Science, Johannes Gutenberg-University Mainz 2 , 55128 Mainz,

M

Michael Wand

Institute of Computer Science, Johannes Gutenberg-University Mainz 2 , 55128 Mainz,

K

Karin Everschor-Sitte

Faculty of Physics and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen 3 , 47057 Duisburg,

F

Friederike Schmid

Institute of Physics, Johannes Gutenberg-University Mainz 1 , 55128 Mainz,