Nonequilibrium statistical mechanics exhibit a variety of complex phenomena far from equilibrium. It inherits challenges of equilibrium, including accurately describing the joint distribution of a large number of configurations, and also poses new challenges as the distribution evolves over time. Characterizing dynamical phase transitions as an emergent behavior further requires tracking nonequilibrium systems under a control parameter. While a number of methods have been proposed, such as tensor networks for one-dimensional lattices, we lack a method for arbitrary time beyond the steady state and for higher dimensions. Here, we develop a general computational framework to study the time evolution of nonequilibrium systems in statistical mechanics by leveraging variational autoregressive networks, which offer an efficient computation on the dynamical partition function, a central quantity for discovering the phase transition. We apply the approach to prototype models of nonequilibrium statistical mechanics, including the kinetically constrained models of structural glasses up to three dimensions. The approach uncovers the active-inactive phase transition of spin flips, the dynamical phase diagram, as well as new scaling relations. The result highlights the potential of machine learning dynamical phase transitions in nonequilibrium systems.
Nonequilibrium statistical mechanics exhibit a variety of complex phenomena far from equilibrium. It inherits challenges of equilibrium, including accurately describing the joint distribution of a large number of configurations, and also poses new challenges as the distribution evolves over time. Characterizing dynamical phase transitions as an emergent behavior further requires tracking nonequilibrium systems under a control parameter. While a number of methods have been proposed, such as tensor networks for one-dimensional lattices, we lack a method for arbitrary time beyond the steady state and for higher dimensions. Here, we develop a general computational framework to study the time evolution of nonequilibrium systems in statistical mechanics by leveraging variational autoregressive networks, which offer an efficient computation on the dynamical partition function, a central quantity for discovering the phase transition. We apply the approach to prototype models of nonequilibrium statistical mechanics, including the kinetically constrained models of structural glasses up to three dimensions. The approach uncovers the active-inactive phase transition of spin flips, the dynamical phase diagram, as well as new scaling relations. The result highlights the potential of machine learning dynamical phase transitions in nonequilibrium systems.
Nonequilibrium statistical mechanics exhibit a variety of complex phenomena far from equilibrium. It inherits challenges of equilibrium, including accurately describing the joint distribution of a large number of configurations, and also poses new challenges as the distribution evolves over time. Characterizing dynamical phase transitions as an emergent behavior further requires tracking nonequilibrium systems under a control parameter. While a number of methods have been proposed, such as tensor networks for one-dimensional lattices, we lack a method for arbitrary time beyond the steady state and for higher dimensions. Here, we develop a general computational framework to study the time evolution of nonequilibrium systems in statistical mechanics by leveraging variational autoregressive networks, which offer an efficient computation on the dynamical partition function, a central quantity for discovering the phase transition. We apply the approach to prototype models of nonequilibrium statistical mechanics, including the kinetically constrained models of structural glasses up to three dimensions. The approach uncovers the active-inactive phase transition of spin flips, the dynamical phase diagram, as well as new scaling relations. The result highlights the potential of machine learning dynamical phase transitions in nonequilibrium systems.
Abstract Phase transitions play a central role in statistical physics and are well understood in systems at thermal equilibrium. However, their nonequilibrium counterparts remain less explored because of the lack of a unified theoretical framework. In this study, we examine the potential of deep learning, specially convolutional neural networks (CNN), to detect nonequilibrium phase transitions (NEPT) in a 2D Ising model-like square lattice ferromagnetic system under effective parameter h . Without this parameter ( h = 0 ), we generate equilibrium spin configurations using the standard Metropolis algorithm as usual. With h ≠ 0 , we generate nonequilibrium spin configurations using an effective Glauber update rule which breaks detailed balance. While the former is used to train CNN, the later is not subsequently described by the usual Boltzmann-Gibbs distribution rather used to test the model. The study shows that the trained CNN can distinguish between ordered and disordered nonequilibrium steady states and accurately predict the critical temperature of the system undergoing NEPT. Finite size scaling analysis of the model’s output (perdition) reproduces critical exponents that agree with theoretical expectations, indicating that this method provides a strong, data driven approach for examining nonequilibrium critical phenomena.
Identifying phase transitions in complex many-body systems traditionally necessitates the definition of specific order parameters, a task often requiring prior knowledge of the statistical model and the symmetry-breaking mechanism. In this work, we propose a framework for detecting phase transitions directly from raw (experimental) data without requiring knowledge of the underlying model Hamiltonian, parameters, or pre-defined labels. Inspired by generative modeling in machine learning, our method utilizes autoregressive networks to estimate the normalized probability distribution of the system from raw configuration data. We then quantify the intrinsic sensitivity of this learned distribution to control parameters (such as temperature) to construct a robust indicator of phase transitions. This indicator is based on the expectation of the change in absolute logarithmic probability, derived entirely from the raw data. Our approach is purely data-driven: it takes raw data across varying control parameters as input and outputs the most likely estimate of the phase transition point. To validate our approach, we conduct extensive numerical experiments on the 2D Ising model on both triangular and square lattices, and on the Sherrington-Kirkpatrick (SK) model utilizing raw data generated via Markov Chain Monte Carlo and Tensor Network methods. The results demonstrate that our generative approach accurately identifies phase transitions using only raw data. Our framework provides a general tool for exploring critical phenomena in model systems, with the potential to be extended to realistic experimental data where theoretical descriptions remain incomplete.
This thesis addresses different aspects of the dynamics of isolated quantum many-body systems far from equilibrium, ranging from transient phenomena at short times to questions about relaxation and equilibration at late times. The first part deals with nonequilibrium critical phenomena. Dynamical quantum phase transitions are characterized in a two-dimensional spin system by studying the distribution of Fisher zeros in the complex time plane. Moreover, a new topologically driven transition in the nonequilibrium steady state of quenched Chern insulators is investigated, resulting in the identification of universal nonanalytic behavior of the Hall conductance as a function of the quench parameter. The second part of the thesis comprises a study of transient dynamics of the transverse-field Ising model in two and three dimensions based on a perturbative derivation of classical networks to encode the time-evolved wave function; this construction is also applicable to represent the state as an artificial neural network. In the last part of the thesis a possible definition of the irreversibility of quantum many-body dynamics is introduced, which is based on the echo dynamics of observables under imperfect effective time reversal. Echo dynamics is studied in generic and integrable quantum systems as well as in the semiclassical limit. The relation to out-of-time-order correlators is explored, which were recently introduced to probe the quantum butterfly effect.
Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the NEQ approach I verify the universality class of the 3D Ising spin-glasses. I also investigate the random 3-regular graphs in terms of both classical and quantum phase transitions. I demonstrate that under this simulation scheme, one can extract information associated with the classical and quantum spin-glass transitions without any knowledge prior to the simulation.
We propose a general framework to extract microscopic interactions from raw configurations with deep neural networks. The approach replaces the modeling Hamiltonian by the neural networks, in which the interaction is encoded. It can be trained with data collected from Ab initio computations or experiments. The well-trained neural networks give an accurate estimation of the possibility distribution of the configurations at fixed external parameters. It can be spontaneously extrapolated to detect the phase structures since classical statistical mechanics as prior knowledge here. We apply the approach to a 2D spin system, training at a fixed temperature, and reproducing the phase structure. Scaling the configuration on lattice exhibits the interaction changes with the degree of freedom, which can be naturally applied to the experimental measurements. Our approach bridges the gap between the real configurations and the microscopic dynamics with an autoregressive neural network.