We identify a new ``order parameter'' for the disorder-driven many-body localization transition by leveraging machine learning. Contrary to previous studies, our method is almost entirely unsupervised. A game theoretic process between neural networks defines an adversarial setup with conflicting objectives to identify what characteristic features to base efficient predictions on. This reduces the numerical effort for mapping out the phase diagram by a factor of $100\ifmmode\times\else\texttimes\fi{}$ and allows us to pin down the transition, as the point at which the physics changes qualitatively, in an objective and cleaner way than is possible with the existing diverse array of quantities. Our approach of automated discovery is applicable specifically to poorly understood phase transitions and is a starting point for a research program leveraging the potential of machine learning--assisted research in physics.
We identify a new ``order parameter'' for the disorder-driven many-body localization transition by leveraging machine learning. Contrary to previous studies, our method is almost entirely unsupervised. A game theoretic process between neural networks defines an adversarial setup with conflicting objectives to identify what characteristic features to base efficient predictions on. This reduces the numerical effort for mapping out the phase diagram by a factor of 100\ifmmode×\else\texttimes\fi and allows us to pin down the transition, as the point at which the physics changes qualitatively, in an objective and cleaner way than is possible with the existing diverse array of quantities. Our approach of automated discovery is applicable specifically to poorly understood phase transitions and is a starting point for a research program leveraging the potential of machine learning--assisted research in physics.
Neural-network-based machine learning is emerging as a powerful tool for obtaining phase diagrams when traditional regression schemes using local equilibrium order parameters are not available, as in many-body localized (MBL) or topological phases. Nevertheless, instances of machine learning offering new insights have been rare up to now. Here we show that a single feed-forward neural network can decode the defining structures of two distinct MBL phases and a thermalizing phase, using entanglement spectra obtained from individual eigenstates. For this, we introduce a simplicial geometry-based method for extracting multipartite phase boundaries. We find that this method outperforms conventional metrics for identifying MBL phase transitions, revealing a sharper phase boundary and shedding new insight on the topology of the phase diagram. Furthermore, the phase diagram we acquire from a single disorder configuration confirms that the machine-learning-based approach we establish here can enable speedy exploration of large phase spaces that can assist with the discovery of new MBL phases. To our knowledge, this Letter represents the first example of a standard machine learning approach revealing new information on phase transitions.
The identification of phases of matter is a challenging task, especially in quantum mechanics, where the complexity of the ground state appears to grow exponentially with the size of the system. Traditionally, physicists have to identify the relevant order parameters for the classification of the different phases. We here follow a radically different approach: we address this problem with a state-of-the-art deep learning technique, adversarial domain adaptation. We derive the phase diagram of the whole parameter space starting from a fixed and known subspace using unsupervised learning. This method has the advantage that the input of the algorithm can be directly the ground state without any ad hoc feature engineering. Furthermore, the dimension of the parameter space is unrestricted. More specifically, the input data set contains both labeled and unlabeled data instances. The first kind is a system that admits an accurate analytical or numerical solution, and one can recover its phase diagram. The second type is the physical system with an unknown phase diagram. Adversarial domain adaptation uses both types of data to create invariant feature extracting layers in a deep learning architecture. Once these layers are trained, we can attach an unsupervised learner to the network to find phase transitions. We show the success of this technique by applying it on several paradigmatic models: the Ising model with different temperatures, the Bose-Hubbard model, and the Su-Schrieffer-Heeger model with disorder. The method finds unknown transitions successfully and predicts transition points in close agreement with standard methods. This study opens the door to the classification of physical systems where the phase boundaries are complex such as the many-body localization problem or the Bose glass phase.
We employ the methods of machine learning to study the many-body localization (MBL) transition in a 1D random spin system. By using the raw energy spectrum without pre-processing as training data, it is shown that the MBL transition point is correctly predicted by the machine. The structure of the neural network reveals the nature of this dynamical phase transition that involves all energy levels, while the bandwidth of the spectrum and nearest level spacing are the two dominant patterns and the latter stands out to classify phases. We further use a comparative unsupervised learning method, i.e., principal component analysis, to confirm these results.
The identification of phases of matter is a challenging task, especially in
quantum mechanics, where the complexity of the ground state appears to grow
exponentially with the size of the system. We address this problem with
state-of-the-art deep learning techniques: adversarial domain adaptation. We
derive the phase diagram of the whole parameter space starting from a fixed and
known subspace using unsupervised learning. The input data set contains both
labeled and unlabeled data instances. The first kind is a system that admits an
accurate analytical or numerical solution, and one can recover its phase
diagram. The second type is the physical system with an unknown phase diagram.
Adversarial domain adaptation uses both types of data to create invariant
feature extracting layers in a deep learning architecture. Once these layers
are trained, we can attach an unsupervised learner to the network to find phase
transitions. We show the success of this technique by applying it on several
paradigmatic models: the Ising model with different temperatures, the
Bose-Hubbard model, and the SSH model with disorder. The input is the ground
state without any manual feature engineering, and the dimension of the
parameter space is unrestricted. The method finds unknown transitions
successfully and predicts transition points in close agreement with standard
methods. This study opens the door to the classification of physical systems
where the phases boundaries are complex such as the many-body localization
problem or the Bose glass phase.
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.
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.