Abstract We propose a systematic methodology to identify the topological phase transition through a self-supervised machine learning model, which is trained to correlate system parameters to the non-local observables in time-of-flight experiments of ultracold atoms. Different from the conventional supervised learning approach, where the predicted phase transition point is very sensitive to the training region and data labeling, our self-supervised learning approach identifies the phase transition point by the largest deviation of the predicted results from the known system parameters and by the highest confidence through a systematic shift of the training regions. We demonstrate the robust application of this approach results in various 1D and 2D exactly solvable models, using different input features (time-of-flight images, spatial correlation function or density–density correlation function). As a result, our self-supervised approach should be a very general and reliable method for many condensed matter or solid state systems to observe new states of matters solely based on experimental measurements, even without a priori knowledge of the phase transition models.
Abstract We propose a systematic methodology to identify the topological phase transition through a self-supervised machine learning model, which is trained to correlate system parameters to the non-local observables in time-of-flight experiments of ultracold atoms. Different from the conventional supervised learning approach, where the predicted phase transition point is very sensitive to the training region and data labeling, our self-supervised learning approach identifies the phase transition point by the largest deviation of the predicted results from the known system parameters and by the highest confidence through a systematic shift of the training regions. We demonstrate the robust application of this approach results in various 1D and 2D exactly solvable models, using different input features (time-of-flight images, spatial correlation function or density–density correlation function). As a result, our self-supervised approach should be a very general and reliable method for many condensed matter or solid state systems to observe new states of matters solely based on experimental measurements, even without a priori knowledge of the phase transition models.
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.
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.
We develop a self-supervised ensemble learning (SSEL) method to accurately classify distinct types of phase transitions by analyzing the fluctuation properties of machine learning outputs. Employing the 2D Potts model and the 2D Clock model as benchmarks, we demonstrate the capability of SSEL in discerning first-order, second-order, and Berezinskii-Kosterlitz-Thouless transitions, using in situ spin configurations as the input features. Furthermore, we show that the SSEL approach can also be applied to investigate quantum phase transitions in 1D Ising and 1D XXZ models upon incorporating quantum sampling. We argue that the SSEL model simulates a special state function with higher-order correlations between physical quantities, and hence provides richer information than previous machine learning methods. Consequently, our SSEL method can be generally applied to the identification/classification of phase transitions even without explicit knowledge of the underlying theoretical models.
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.
Although classifying topological quantum phases have attracted great interests, the absence of local order parameter generically makes it challenging to detect a topological phase transition from experimental data. Recent advances in machine learning algorithms enable physicists to analyze experimental data with unprecedented high sensitivities, and identify quantum phases even in the presence of unavoidable noises. Here, we report a successful identification of topological phase transitions using a deep convolutional neural network trained with low signal-to-noise-ratio (SNR) experimental data obtained in a symmetry-protected topological system of spin-orbit-coupled fermions. We apply the trained network to unseen data to map out a whole phase diagram, which predicts the positions of the two topological phase transitions that are consistent with the results obtained by using the conventional method on higher SNR data. By visualizing the filters and post-convolutional results of the convolutional layer, we further find that the CNN uses the same information to make the classification in the system as the conventional analysis, namely spin imbalance, but with an advantage concerning SNR. Our work highlights the potential of machine learning techniques to be used in various quantum systems.
The classification of phase transitions is a central and challenging task in condensed matter physics. Typically, it relies on the identification of order parameters and the analysis of singularities in the free energy and its derivatives. Here, we propose an alternative framework to identify quantum phase transitions, employing both unsupervised and supervised machine learning techniques. Using the axial next-nearest-neighbor Ising (ANNNI) model as a benchmark, we show how unsupervised learning can detect three phases (ferromagnetic, paramagnetic, and a cluster of the antiphase with the floating phase) as well as two distinct regions within the paramagnetic phase. Employing supervised learning we show that transfer learning becomes possible: a machine trained only with nearest-neighbor interactions can learn to identify a new type of phase occurring when next-nearest-neighbor interactions are introduced. All our results rely on few- and low-dimensional input data (up to twelve lattice sites), thus providing a computational friendly and general framework for the study of phase transitions in many-body systems.