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Can machine learning truly decode phase transitions? A deep dive into the Ising model with competing interactions

Maninder Kaur1,*, Ying Wai Li2, Dilina Perera3, and David P. Landau1,†

  • *Contact author: Maninder.Kaur@uga.edu
  • †Contact author: dlandau@uga.edu
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Phys. Rev. E 114, 014104 – Published 6 July, 2026

DOI: https://doi.org/10.1103/49zd-8dgw

Abstract

We investigate phase transitions in the two-dimensional Ising model with competing nearest-neighbor (NN) and next-nearest-neighbor (NNN) interactions, where the NNN coupling generates a degenerate superantiferromagnetic (SAF) ground state, by combining machine-learning methods with Monte Carlo simulations and finite-size scaling (FSS). Going beyond earlier studies, we show that unsupervised learning can recover order-parameter and Binder cumulant analogs that obey FSS. Principal component analysis (PCA) reveals the two-component structure of the SAF order parameter, and k-means clustering is used to visualize qualitative differences between ordered and disordered configurations in the principal-component space. A fully connected neural network (FCNN), trained without prior knowledge of the order parameter or the critical temperature, learns the strength of SAF stripe ordering and uses it as the internal feature for phase classification. FSS of thermodynamic observables, the PCA-derived quantity, and the FCNN output yields consistent estimates of the critical temperature and correlation-length exponent. These results demonstrate that machine learning can decode ordering patterns, extract meaningful order-parameter analogs, and reproduce critical behavior in frustrated Ising systems.

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Phys. Rev. E 114, 014104– Published 6 July, 2026
  • Received 21 January 2026
  • Accepted 19 May 2026
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