Neural networks in machine learning are highly capable of classifying data and recognizing graphics, and have been widely used in statistical physics, particularly in phase transitions. In this paper, we review recent developments in machine learning algorithms in the application of primary phase transition models. We first introduce the background of modern machine learning algorithms and related pioneering work in equilibrium phase transitions. Second, by taking directed percolation as an example of a typical non-equilibrium phase transition model, we present some of the latest research findings of our group. The research involves supervised, unsupervised, and semi-supervised learning for classifying phases, predicting critical points, and measuring critical exponents. Thereafter, we elaborate on related work on machine learning algorithms in phase transition research in quantum many-body theory, soft matter physics, and high-energy physics. Lastly, corresponding discussions and prospects are presented.
Neural networks in machine learning are highly capable of classifying data and recognizing graphics, and have been widely used in statistical physics, particularly in phase transitions. In this paper, we review recent developments in machine learning algorithms in the application of primary phase transition models. We first introduce the background of modern machine learning algorithms and related pioneering work in equilibrium phase transitions. Second, by taking directed percolation as an example of a typical non-equilibrium phase transition model, we present some of the latest research findings of our group. The research involves supervised, unsupervised, and semi-supervised learning for classifying phases, predicting critical points, and measuring critical exponents. Thereafter, we elaborate on related work on machine learning algorithms in phase transition research in quantum many-body theory, soft matter physics, and high-energy physics. Lastly, corresponding discussions and prospects are presented.
The identification and characterization of phase transitions is one of the oldest and most central problems in condensed matter physics, traditionally approached through order parameters, free-energy expansions, renormalization-group analysis, and direct numerical simulation. Over the past decade, machine learning (ML) has emerged as a complementary and, in some regimes, transformative methodology for this task. Supervised classifiers can learn to distinguish phases directly from raw configurations without an a priori order parameter; unsupervised and self-supervised techniques such as principal component analysis, autoencoders, and learning-by-confusion can locate transition points with minimal or no labeled data; and generative and variational architectures, including neural-network quantum states, now approximate ground-state wavefunctions of strongly correlated systems well beyond the reach of exact diagonalization. This paper reviews the theoretical foundations of phase transitions relevant to machine-learning applications, surveys the principal families of algorithms used to detect and classify phases, and examines their application across classical spin systems, percolation, topological and quantum phases, strongly correlated electron systems, and experimentally measured spectroscopic data. Representative case studies are discussed, including convolutional and graph-neural-network classifiers of lattice configurations, explainable-ML detection of thermodynamic transitions in photoemission spectra, and deep-learning-guided discovery of high-temperature superconductors. The review closes with a critical discussion of persistent challenges interpretability, data scarcity in correlated-electron experiments, generalization across Hamiltonians, and the reliability of learned order parameters near criticality and outlines directions for future research, including physics-informed architectures, uncertainty quantification, and closed-loop integration with autonomous experimentation.
The latest advances of statistical physics have shown remarkable performance of machine learning in identifying phase transitions. In this paper, we apply domain adversarial neural network (DANN) based on transfer learning to studying nonequilibrium and equilibrium phase transition models, which are percolation model and directed percolation (DP) model, respectively. With the DANN, only a small fraction of input configurations (two-dimensional images) needs to be labeled, which is automatically chosen, to capture the critical point. To learn the DP model, the method is refined by an iterative procedure in determining the critical point, which is a prerequisite for the data collapse in calculating the critical exponent ν_{⊥}. We then apply the DANN to a two-dimensional site percolation with configurations filtered to include only the largest cluster which may contain the information related to the order parameter. The DANN learning of both models yields reliable results which are comparable to the ones from Monte Carlo simulations. Our study also shows that the DANN can achieve quite high accuracy at much lower cost, compared to the supervised learning.
In recent years Machine Learning has proved to be successful in many technological applications and scientific tasks, such as image and speech recognition, natural language
understanding and more. In this work we apply both supervised and unsupervised Machine Learning to three key problems in statistical physics: design of Hamiltonian from data,
phase recognition and study of critical properties of a system undergoing phase transition.
As an example of model design, we use a dataset with spin configurations and corresponding energies randomly sampled from a one dimensional Ising model. We then make two
guesses for the correct Hamiltonian: the former involving interactions of spins with an external local field, the latter involving two body interactions among spins.
The coupling constants are determined with a linear penalized regression, comparing the effects of L1 and L2 penalization terms of the cost function. We pay specific attention
to the problem of overfitting and to the validation process, which is critical for accepting or rejecting the proposed model.
The phase recognition problem is faced with the two dimensional Ising and XY models as examples. After showing the limits of a simple softmax regression for this task,
we build suitable neural networks to overcome these limits. In particular, a feed forward network is built and the learning process is investigated for the Ising model;
while a more sophisticated convolutional network is proposed for the XY model in order to detect local topological structures.
The last part of the work is dedicated to the unsupervised study of phase transitions, and the determination of critical properties (order parameter, critical
temperature, critical exponents). The discussed techniques are Principal Component Analysis (PCA) for dimensional reduction and K-means clustering for organizing data into
subsets with specific properties. PCA is applied to the two dimensional Ising, Potts and XY models, and it is used to find suitable order parameters. The study of the
proposed order parameter as a function of temperature provides evidence of phase transition, and a finite size scaling allows to extrapolate both the critical temperature
in the thermodynamic limit, and the ν critical exponent for the correlation length. K-means clustering is applied to equilibrium configurations of the two dimensional
Ising model, before and after the dimensional reduction, and the critical temperature is estimated. Moreover, a clustering of relaxation curves of magnetization in a
Monte Carlo dynamics is used to build a phase diagram on the parameter space of temperature and magnetic field.
A synergy of C++, Python and Wolfram Mathematica 12.0 is used throughout this work in order to sample input datasets and to build and control customized neural networks
and learning tools. The most relevant codes are provided in the appendix.
Conventionally, the study of phases in statistical mechan- ics is performed with the help of random sampling tools. Among the most powerful are Monte Carlo simulations consisting of a stochastic importance sampling over state space and evaluation of estimators for physical quantities. The ability of modern machine learning techniques to classify, identify, or in- terpret massive data sets provides a complementary paradigm to the above approach to analyze the exponentially large number of states in statistical physics. In this report, it is demonstrated by application on Ising-type models that deep learning has potential wide applications in solving many-body statis- tical physics problems. In application of supervised learning, we showed that the feed-forward neural network can identify phases and phase transitions in the ferromagnetic Ising model and the convolutional neural network (CNN) is extremely powerful in classifying T = 0 and T = ∞ phases in the Ising gauge model; In application of unsupervised learning, we illustrated that a deep auto-encoder constructed by stacked restricted Boltzmann machines (RBM)\nis closely related to the renormalization group (RG) method well understood in modern physics and our reconstruction of Ising spin configurations in the ferromagnetic Ising model is similar to the hand-written digits reconstruction.
Machine learning for phase transition has received intensive research interest in recent years. However, its application in percolation still remains challenging. We propose an auxiliary Ising mapping method for the machine learning study of the standard percolation as well as a variety of statistical mechanical systems in correlated percolation representation. We demonstrate that unsupervised machine learning is able to accurately locate the percolation threshold, independent of the spatial dimension of system or the type of phase transition, which can be first-order or continuous. Moreover, we show that, by neural network machine learning, auxiliary Ising configurations for different universalities can be classified with a high confidence level. Our results indicate that the auxiliary Ising mapping method, despite its simplicity, can advance the application of machine learning in statistical and condensed-matter physics.
The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as powerful tools to complement these standard approaches, offering valuable insights into phase and structure determination. Additionally, they have been shown to enhance the application of traditional methods. In this work, we review recent advancements in this area, with a focus on our contributions to phase and structure determination using supervised and unsupervised learning methods in several systems: (a) 2D site percolation, (b) the 3D Anderson model of localization, (c) the 2D J1-J2 Ising model, and (d) the prediction of large-angle convergent beam electron diffraction patterns.