Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2305.17687

Unsupervised machine learning for identifying phase transition using two-times clustering

Nan Wu, Zhuohan Li, Wanzhou Zhang

Published May 28, 2023• 0 citations
arXivHTMLPDF

Abstract

In recent years, developing unsupervised machine learning for identifying phase transition is a research direction. In this paper, we introduce a two-times clustering method that can help select perfect configurations from a set of degenerate samples and assign the configuration with labels in a manner of unsupervised machine learning. These perfect configurations can then be used to train a neural network to classify phases. The derivatives of the predicted classification in the phase diagram, show peaks at the phase transition points. The effectiveness of our method is tested for the Ising, Potts, and Blume-Capel models. By using the ordered configuration from two-times clustering, our method can provide a useful way to obtain phase diagrams.

DOI
10.48550/arxiv.2305.17687

Related papers

Discovering phase transitions with unsupervised learning

Lei Wang

Unsupervised learning is a discipline of machine learning which aims at discovering patterns in large data sets or classifying the data into several categories without being trained explicitly. We show that unsupervised learning techniques can be readily used to identify phases and phases transitions of many-body systems. Starting with raw spin configurations of a prototypical Ising model, we use principal component analysis to extract relevant low-dimensional representations of the original data and use clustering analysis to identify distinct phases in the feature space. This approach successfully finds physical concepts such as the order parameter and structure factor to be indicators of a phase transition. We discuss the future prospects of discovering more complex phases and phase transitions using unsupervised learning techniques.

arXiv:1606.00318•Physical review. B./Physical review. B•Nov 2, 2016•617 citations

Detecting phase transitions based on siamese neural network

Jianmin Shen, Shanshan Wang, Wei Li +3 more

Abstract Machine learning has been widely applied in physics research. Although unsupervised learning can extract the critical points of phase transitions, the percolation model remains a challenge. Unsupervised learning using the raw configurations of the percolation model fails to capture the critical points. To capture the configuration characteristics of the percolation model, this paper proposes using the maximum cluster as input to the neural network. It is well understood that the order parameter of the percolation model is not simply the particle density, but rather the probability that a given site or bond belongs to the percolating cluster. Additionally, we introduce the use of a Siamese Neural Network (SNN) to detect percolation phase transitions. Unlike unsupervised dimensionality reduction methods or supervised binary classification outputs, the SNN produces a scalar output referred to as similarity. By combining the maximum cluster and the SNN, we not only successfully extract the critical value of the percolation model, but also calculate the correlation exponent via data collapse. We believe that the SNN has great potential in handling phase transition classification problems and can serve as a reference for studying other phase transition systems.

Physica Scripta•Oct 10, 2024•2 citations

Unsupervised machine learning phase classification for the Falicov-Kimball model

Lukáš Frk, Pavel Baláž, Elguja Archemashvili +1 more

We apply various unsupervised machine learning methods for phase classification to investigate the finite-temperature phase diagram of the spinless Falicov-Kimball model in two dimensions. Using only particle occupation snapshots from Monte Carlo simulations as input, each technique, including a straightforward classification based on principal component analysis (PCA), successfully identifies the phase boundary between ordered and disordered phases, independent of the type of phase transition. Remarkably, these techniques also distinguish between the weakly localized and Anderson-localized regimes within the disordered phase, accurately identifying their crossover, which is a challenging task for standard methods. Among the machine learning approaches used, PCA based analysis outperforms more complex methods, such as neural network predictors and autoencoders. These results underscore the effectiveness of simple unsupervised techniques in examining phase transitions and electron localization in complex correlated systems.

arXiv:2411.07319•Physical review. B./Physical review. B•May 13, 2025•3 citations

Unsupervised identification of topological phase transitions using predictive models

Eliška Greplová, Agnes Valenti, Gregor Boschung +3 more

Machine-learning driven models have proven to be powerful tools for the identification of phases of matter. In particular, unsupervised methods hold the promise to help discover new phases of matter without the need for any prior theoretical knowledge. While for phases characterized by a broken symmetry, the use of unsupervised methods has proven to be successful, topological phases without a local order parameter seem to be much harder to identify without supervision. Here, we use an unsupervised approach to identify boundaries of the topological phases. We train artificial neural nets to relate configurational data or measurement outcomes to quantities like temperature or tuning parameters in the Hamiltonian. The accuracy of these predictive models can then serve as an indicator for phase transitions. We successfully illustrate this approach on both the classical Ising gauge theory as well as on the quantum ground state of a generalized toric code.

•Apr 7, 2020•51 citations

Unsupervised identification of topological phase transitions using predictive models

Eliška Greplová, Agnes Valenti, Gregor Boschung +3 more

Abstract Machine-learning driven models have proven to be powerful tools for the identification of phases of matter. In particular, unsupervised methods hold the promise to help discover new phases of matter without the need for any prior theoretical knowledge. While for phases characterized by a broken symmetry, the use of unsupervised methods has proven to be successful, topological phases without a local order parameter seem to be much harder to identify without supervision. Here, we use an unsupervised approach to identify boundaries of the topological phases. We train artificial neural nets to relate configurational data or measurement outcomes to quantities like temperature or tuning parameters in the Hamiltonian. The accuracy of these predictive models can then serve as an indicator for phase transitions. We successfully illustrate this approach on both the classical Ising gauge theory as well as on the quantum ground state of a generalized toric code.

arXiv:1910.10124•New Journal of Physics•Feb 18, 2020•67 citations

Unsupervised learning the phase diagram of frustrated Ising models

Danilo Rodrigues de Assis Elias, Enzo Granato, Maurice de Koning

We assess the quality of a set of machine-learning (ML) techniques for the prediction of the phase diagrams of two frustrated 2D Ising models with competing interactions, that feature phase transitions characterized by critical manifolds rather than a single critical point. Using raw Monte Carlo spin configurations generated for random system parameters, we apply principal-component analysis (PCA) and auto-encoders to achieve dimensionality reduction, followed by clustering using the DBSCAN method and a support-vector machine classifier. The resulting estimates for the critical manifolds of both systems are in excellent agreement with available exact results, with the auto-encoders leading to quantitatively superior results. Notably, both the structure of the optimized auto-encoder as well its corresponding dimensionality-reduced and clustered space correlate with fundamental physical characteristics of the systems under consideration, which is useful when \emph{a priori} theoretical insight is unavailable.

•Dec 21, 2020•0 citations
In recent years, developing unsupervised machine learning for identifying phase transition is a research direction. In this paper, we introduce a two-times clustering method that can help select perfect configurations from a set of degenerate samples and assign the configuration with labels in a manner of unsupervised machine learning. These perfect configurations can then be used to train a neural network to classify phases. The derivatives of the predicted classification in the phase diagram, show peaks at the phase transition points. The effectiveness of our method is tested for the Ising, Potts, and Blume-Capel models. By using the ordered configuration from two-times clustering, our method can provide a useful way to obtain phase diagrams.
Unsupervised learning is a discipline of machine learning which aims at discovering patterns in large data sets or classifying the data into several categories without being trained explicitly. We show that unsupervised learning techniques can be readily used to identify phases and phases transitions of many-body systems. Starting with raw spin configurations of a prototypical Ising model, we use principal component analysis to extract relevant low-dimensional representations of the original data and use clustering analysis to identify distinct phases in the feature space. This approach successfully finds physical concepts such as the order parameter and structure factor to be indicators of a phase transition. We discuss the future prospects of discovering more complex phases and phase transitions using unsupervised learning techniques.
Abstract Machine learning has been widely applied in physics research. Although unsupervised learning can extract the critical points of phase transitions, the percolation model remains a challenge. Unsupervised learning using the raw configurations of the percolation model fails to capture the critical points. To capture the configuration characteristics of the percolation model, this paper proposes using the maximum cluster as input to the neural network. It is well understood that the order parameter of the percolation model is not simply the particle density, but rather the probability that a given site or bond belongs to the percolating cluster. Additionally, we introduce the use of a Siamese Neural Network (SNN) to detect percolation phase transitions. Unlike unsupervised dimensionality reduction methods or supervised binary classification outputs, the SNN produces a scalar output referred to as similarity. By combining the maximum cluster and the SNN, we not only successfully extract the critical value of the percolation model, but also calculate the correlation exponent via data collapse. We believe that the SNN has great potential in handling phase transition classification problems and can serve as a reference for studying other phase transition systems.
We apply various unsupervised machine learning methods for phase classification to investigate the finite-temperature phase diagram of the spinless Falicov-Kimball model in two dimensions. Using only particle occupation snapshots from Monte Carlo simulations as input, each technique, including a straightforward classification based on principal component analysis (PCA), successfully identifies the phase boundary between ordered and disordered phases, independent of the type of phase transition. Remarkably, these techniques also distinguish between the weakly localized and Anderson-localized regimes within the disordered phase, accurately identifying their crossover, which is a challenging task for standard methods. Among the machine learning approaches used, PCA based analysis outperforms more complex methods, such as neural network predictors and autoencoders. These results underscore the effectiveness of simple unsupervised techniques in examining phase transitions and electron localization in complex correlated systems.
Machine-learning driven models have proven to be powerful tools for the identification of phases of matter. In particular, unsupervised methods hold the promise to help discover new phases of matter without the need for any prior theoretical knowledge. While for phases characterized by a broken symmetry, the use of unsupervised methods has proven to be successful, topological phases without a local order parameter seem to be much harder to identify without supervision. Here, we use an unsupervised approach to identify boundaries of the topological phases. We train artificial neural nets to relate configurational data or measurement outcomes to quantities like temperature or tuning parameters in the Hamiltonian. The accuracy of these predictive models can then serve as an indicator for phase transitions. We successfully illustrate this approach on both the classical Ising gauge theory as well as on the quantum ground state of a generalized toric code.
Abstract Machine-learning driven models have proven to be powerful tools for the identification of phases of matter. In particular, unsupervised methods hold the promise to help discover new phases of matter without the need for any prior theoretical knowledge. While for phases characterized by a broken symmetry, the use of unsupervised methods has proven to be successful, topological phases without a local order parameter seem to be much harder to identify without supervision. Here, we use an unsupervised approach to identify boundaries of the topological phases. We train artificial neural nets to relate configurational data or measurement outcomes to quantities like temperature or tuning parameters in the Hamiltonian. The accuracy of these predictive models can then serve as an indicator for phase transitions. We successfully illustrate this approach on both the classical Ising gauge theory as well as on the quantum ground state of a generalized toric code.
We assess the quality of a set of machine-learning (ML) techniques for the prediction of the phase diagrams of two frustrated 2D Ising models with competing interactions, that feature phase transitions characterized by critical manifolds rather than a single critical point. Using raw Monte Carlo spin configurations generated for random system parameters, we apply principal-component analysis (PCA) and auto-encoders to achieve dimensionality reduction, followed by clustering using the DBSCAN method and a support-vector machine classifier. The resulting estimates for the critical manifolds of both systems are in excellent agreement with available exact results, with the auto-encoders leading to quantitatively superior results. Notably, both the structure of the optimized auto-encoder as well its corresponding dimensionality-reduced and clustered space correlate with fundamental physical characteristics of the systems under consideration, which is useful when \emph{a priori} theoretical insight is unavailable.