The three-dimensional Anderson model is a well-studied model of disordered electron systems that shows the delocalization--localization transition. As in our previous papers on two- and three-dimensional (2D, 3D) quantum phase transitions [J. Phys. Soc. Jpn. {\bf 85}, 123706 (2016), {\bf 86}, 044708 (2017)], we used an image recognition algorithm based on a multilayered convolutional neural network. However, in contrast to previous papers in which 2D image recognition was used, we applied 3D image recognition to analyze entire 3D wave functions. We show that a full phase diagram of the disorder-energy plane is obtained once the 3D convolutional neural network has been trained at the band center. We further demonstrate that the full phase diagram for 3D quantum bond and site percolations can be drawn by training the 3D Anderson model at the band center.
The three-dimensional Anderson model is a well-studied model of disordered electron systems that shows the delocalization--localization transition. As in our previous papers on two- and three-dimensional (2D, 3D) quantum phase transitions [J. Phys. Soc. Jpn. {\bf 85}, 123706 (2016), {\bf 86}, 044708 (2017)], we used an image recognition algorithm based on a multilayered convolutional neural network. However, in contrast to previous papers in which 2D image recognition was used, we applied 3D image recognition to analyze entire 3D wave functions. We show that a full phase diagram of the disorder-energy plane is obtained once the 3D convolutional neural network has been trained at the band center. We further demonstrate that the full phase diagram for 3D quantum bond and site percolations can be drawn by training the 3D Anderson model at the band center.
Three-dimensional random electron systems undergo quantum phase transitions and show rich phase diagrams. Examples of the phases are the band gap insulator, Anderson insulator, strong and weak topological insulators, Weyl semimetal, and diffusive metal. As in the previous paper on two-dimensional quantum phase transitions [J. Phys. Soc. Jpn. vol. 85, 123706 (2016)], we use an image recognition algorithm based on a multilayered convolutional neural network to identify which phase the eigenfunction belongs to. The Anderson model for localization-delocalization transition, the Wilson--Dirac model for topological insulators, and the layered Chern insulator model for Weyl semimetal are studied. The situation where the standard transfer matrix approach is not applicable is also treated by this method.
Applications of neural networks to condensed matter physics are becoming popular and beginning to be well accepted. Obtaining and representing the ground and excited state wave functions are examples of such applications. Another application is analyzing the wave functions and determining their quantum phases. Here, we review the recent progress of using the multilayer convolutional neural network, so-called deep learning, to determine the quantum phases in random electron systems. After training the neural network by the supervised learning of wave functions in restricted parameter regions in known phases, the neural networks can determine the phases of the wave functions in wide parameter regions in unknown phases; hence, the phase diagrams are obtained. We demonstrate the validity and generality of this method by drawing the phase diagrams of two- and higher dimensional Anderson metal-insulator transitions and quantum percolations as well as disordered topological systems such as three-dimensional topological insulators and Weyl semimetals. Both real-space and Fourier space wave functions are analyzed. The advantages and disadvantages over conventional methods are discussed.
Quantum material phases such as the Anderson insulator, diffusive metal, and Weyl/Dirac semimetal as well as topological insulators show specific wave functions both in real and Fourier spaces. These features are well captured by convolutional neural networks, and the phase diagrams have been obtained, where standard methods are not applicable. One of these examples is the cases of random lattices such as quantum percolation. Here, we study the topological insulators with random vacancies, namely, the quantum percolation in topological insulators, by analyzing the wave functions via a convolutional neural network. The vacancies in topological insulators are especially interesting since peculiar bound states are formed around the vacancies. We show that only a few percent of vacancies are required for a topological phase transition. The results are confirmed by independent calculations of localization length, density of states, and wave packet dynamics.
In this paper, we apply machine learning methods to study phase transitions in certain statistical mechanical models on the two-dimensional lattices, whose transitions involve nonlocal or topological properties, including site and bond percolations, the XY model, and the generalized XY model. We find that using just one hidden layer in a fully connected neural network, the percolation transition can be learned and the data collapse by using the average output layer gives correct estimate of the critical exponent ν. We also study the Berezinskii-Kosterlitz-Thouless transition, which involves binding and unbinding of topological defects, vortices and antivortices, in the classical XY model. The generalized XY model contains richer phases, such as the nematic phase, the paramagnetic and the quasi-long-range ferromagnetic phases, and we also apply machine learning method to it. We obtain a consistent phase diagram from the network trained with only data along the temperature axis at two particular parameter Δ values, where Δ is the relative weight of pure XY coupling. Aside from using the spin configurations (either angles or spin components) as the input information in a convolutional neural network, we devise a feature engineering approach using the histograms of the spin orientations in order to train the network to learn the three phases in the generalized XY model and demonstrate that it indeed works. The trained network by using system size L×L can be used to the phase diagram for other sizes (L^{'}×L^{'}, where L^{'}≠L) without any further training.
The bond-diluted 2D Ising model is essential for understanding the effects of disorder on magnetic systems. Although the T-p phase diagram of this model has been developed through analytical methods and Monte Carlo simulations, the region near the percolation threshold pc remains insufficiently explored. In this study, we reinvestigate the impact of bond dilution on phase transitions in the bond-diluted 2D Ising model using a machine learning approach. A convolutional neural network, initially trained on data from the pure (undiluted) 2D Ising model, is employed through transfer learning to analyze bond-diluted systems. The numerical results show that as bond concentration decreases, the critical temperature also decreases, in agreement with previous Monte Carlo simulation results. Moreover, these findings are instrumental in estimating the critical bond dilution near the percolation threshold pc. As a result, a comprehensive phase diagram for the bond-diluted 2D Ising model has been constructed.
Abstract Employing a deep convolutional neural network (deep CNN) trained on spin configurations of the 2D Ising model and the temperatures, we examine whether the deep CNN can detect the phase transition of the 2D q-state Potts model. To this end, we generate binarized images of spin configurations of the q-state Potts model (q≥3) by replacing the spin variables {0,1,…,⌊q/2⌋−1} and {⌊q/2⌋,…,q−1} with {0} and {1}, respectively. Then, we input these images to the trained CNN to output the predicted temperatures. The binarized images of the q-state Potts model are entirely different from Ising spin configurations, particularly at the transition temperature. Moreover, our CNN model is not trained on the information about whether phases are ordered/disordered but is naively trained by Ising spin configurations labeled with temperatures at which they are generated. Nevertheless, the deep CNN can detect the transition point with high accuracy, regardless of the type of transition. We also find that, in the high-temperature region, the CNN outputs the temperature based on the internal energy, whereas, in the low-temperature region, the output depends on the magnetization and possibly the internal energy as well. However, in the vicinity of the transition point, the CNN may use more general factors to detect the transition point.