We present a scalable machine learning (ML) framework for predicting intensive properties and particularly classifying phases of Ising models. Scalability and transferability are central to the unprecedented computational efficiency of ML methods. In general, linear-scaling computation can be achieved through the divide-and-conquer approach, and the locality of physical properties is key to partitioning the system into subdomains that can be solved separately. Based on the locality assumption, ML model is developed for the prediction of intensive properties of a finite-size block. Predictions of large-scale systems can then be obtained by averaging results of the ML model from randomly sampled blocks of the system. We show that the applicability of this approach depends on whether the block-size of the ML model is greater than the characteristic length scale of the system. In particular, in the case of phase identification across a critical point, the accuracy of the ML prediction is limited by the diverging correlation length. We obtain an intriguing scaling relation between the prediction accuracy and the ratio of ML block size over the spin-spin correlation length. Implications for practical applications are also discussed. While the two-dimensional Ising model is used to demonstrate the proposed approach, the ML framework can be generalized to other many-body or condensed-matter systems.
We present a scalable machine learning (ML) framework for predicting intensive properties and particularly classifying phases of Ising models. Scalability and transferability are central to the unprecedented computational efficiency of ML methods. In general, linear-scaling computation can be achieved through the divide-and-conquer approach, and the locality of physical properties is key to partitioning the system into subdomains that can be solved separately. Based on the locality assumption, ML model is developed for the prediction of intensive properties of a finite-size block. Predictions of large-scale systems can then be obtained by averaging results of the ML model from randomly sampled blocks of the system. We show that the applicability of this approach depends on whether the block-size of the ML model is greater than the characteristic length scale of the system. In particular, in the case of phase identification across a critical point, the accuracy of the ML prediction is limited by the diverging correlation length. We obtain an intriguing scaling relation between the prediction accuracy and the ratio of ML block size over the spin-spin correlation length. Implications for practical applications are also discussed. While the two-dimensional Ising model is used to demonstrate the proposed approach, the ML framework can be generalized to other many-body or condensed-matter systems.
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.
Neural-network quantum states have shown great potential for the study of many-body quantum systems. In statistical machine learning, transfer learning designates protocols reusing features of a machine learning model trained for a problem to solve a possibly related but different problem. We propose to evaluate the potential of transfer learning to improve the scalability of neural-network quantum states. We devise and present physics-inspired transfer learning protocols, reusing the features of neural-network quantum states learned for the computation of the ground state of a small system for systems of larger sizes. We implement different protocols for restricted Boltzmann machines on general-purpose graphics processing units. This implementation alone yields a speedup over existing implementations on multicore and distributed central processing units in comparable settings. We empirically and comparatively evaluate the efficiency (time) and effectiveness (accuracy) of different transfer learning protocols as we scale the system size in different models and different quantum phases. Namely, we consider both the transverse field Ising and Heisenberg XXZ models in one dimension, as well as in two dimensions for the latter, with system sizes up to 128 and 8×8 spins. We empirically demonstrate that some of the transfer learning protocols that we have devised can be far more effective and efficient than starting from neural-network quantum states with randomly initialized parameters.
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.
We combine machine-learning (ML) techniques with Monte Carlo (MC) simulations and finite-size scaling (FSS) to study continuous and first-order phase transitions in Ising, Blume-Capel, and Ising-metamagnet spin models. We go beyond earlier studies that had concentrated on obtaining the correlation-length exponent ν. In particular, we show (a) how to combine neural networks (NNs), trained with data from MC simulations of Ising-type spin models on finite lattices, with FSS to obtain both thermal magnetic exponents yt=1/ν and yh, respectively, at both critical and tricritical points, (b) how to obtain the NN counterpart of two-scale-factor universality at an Ising-type critical point, and (c) FSS at a first-order transition. We also obtain the FSS forms for the output of our trained NNs as functions of both the temperature and the magnetic field.
Determining phase diagrams and phase transitions semiautomatically using machine learning has received a lot of attention recently, with results in good agreement with more conventional approaches in most cases. When it comes to more quantitative predictions, such as the identification of universality class or precise determination of critical points, the task is more challenging. As an exacting testbed, we study the Heisenberg spin-1/2 chain in a random external field that is known to display a transition from a many-body localized to a thermalizing regime, which nature is not entirely characterized. We introduce different neural network structures and dataset setups to achieve a finite-size scaling analysis with the least possible physical bias (no assumed knowledge on the phase transition and directly inputting wave-function coefficients), using state-of-the-art input data simulating chains of sizes up to L=24. In particular, we use domain adversarial techniques to ensure that the network learns scale-invariant features. We find a variability of the output results with respect to network and training parameters, resulting in relatively large uncertainties on final estimates of critical point and correlation length exponent which tend to be larger than the values obtained from conventional approaches. We put the emphasis on interpretability throughout the paper and discuss what the network appears to learn for the various used architectures. Our findings show that a quantitative analysis of phase transitions of unknown nature remains a difficult task with neural networks when using the minimally engineered physical input.
Abstract Studying percolation phase transitions offers valuable insights into the characteristics of phase transitions, shedding light on the underlying mechanisms that govern the formation of global connectivity within a system. We explore the percolation phase transition in the 3D cubic Ising model by employing two machine learning techniques. Our results demonstrate that machine learning methods can distinguish different phases during the percolation transition. Through the finite-size scaling analysis on the output of the neural networks, the percolation temperature and a correlation length exponent in the geometrical percolation transition are extracted and compared to those in the thermal magnetization phase transition within the 3D Ising model. These findings provide a valuable method for enhancing our understanding of the properties of the QCD critical point, which belongs to the same universality class as the 3D Ising model.