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 Kmeans 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 $\nu$ critical exponent for the correlation length. Kmeans 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.
Machine Learning techniques applied to the statistical properties of spin systems
Ferraretto, Matteo
2019/2020
Abstract
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 Kmeans 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 $\nu$ critical exponent for the correlation length. Kmeans 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.File  Dimensione  Formato  

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https://hdl.handle.net/20.500.12608/22078