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Discovering Phase Transitions with Unsupervised Learning (1606.00318v2)

Published 1 Jun 2016 in cond-mat.stat-mech and stat.ML

Abstract: Unsupervised learning is a discipline of machine learning which aims at discovering patterns in big data sets or classifying the data into several categories without being trained explicitly. We show that unsupervised learning techniques can be readily used to identify phases and phases transitions of many body systems. Starting with raw spin configurations of a prototypical Ising model, we use principal component analysis to extract relevant low dimensional representations the original data and use clustering analysis to identify distinct phases in the feature space. This approach successfully finds out physical concepts such as order parameter and structure factor to be indicators of the phase transition. We discuss future prospects of discovering more complex phases and phase transitions using unsupervised learning techniques.

Citations (418)

Summary

  • The paper demonstrates how PCA extracts intrinsic order parameters from raw spin configurations in phase transitions.
  • It uses the Ising and COP Ising models to reveal distinct clusters and uncover nonlinear structures linked to symmetry breaking.
  • The study paves the way for advanced unsupervised techniques, such as kernel methods and autoencoders, to explore complex quantum systems.

Discovering Phase Transitions with Unsupervised Learning

The paper by Lei Wang investigates the potential of unsupervised learning techniques to identify phases and phase transitions in many-body systems. This work addresses a fundamental challenge in condensed matter physics where traditional methods of identifying order parameters, especially in new states of matter, can be elusive. By leveraging tools like principal component analysis (PCA) and cluster analysis, the paper proposes a novel methodology to extract significant features and distinguish between phases directly from raw spin configurations.

Methodology and Results

The research employs the prototypical Ising model as a primary test case. This model serves as a foundational system in statistical mechanics, characterized by a phase transition at a known critical temperature. Building upon this, the paper uses PCA to reduce the dimensionality of the raw spin data, which reveals order parameters intrinsic to the system's phase transitions. The reduced data facilitates the application of cluster analysis, providing a clear separation of high and low temperature phases.

Key results demonstrate that PCA can succinctly capture the system's dominant variations in the form of principal components, with the leading principal component indicating the order parameter of the Ising model. Upon projecting these principal components, the samples naturally form clusters in the feature space, indicative of different phases.

Moreover, the paper advances to paper an Ising model with a conserved order parameter, referred to as the COP Ising model, where the traditional sum of spins fails to serve as a phase indicator due to a constraint of zero total magnetization. Here, the PCA successfully identifies additional leading components linked to spatial distributions of spins, ultimately uncovering a rotational symmetry factor related to domain wall formation at low temperatures.

Numerical and Theoretical Implications

The analysis identifies a nonlinear structure factor unknown prior to this paper, which aligns with traditional theories of rotational symmetry breaking in the COP Ising model. The ability of PCA to discover intrinsic features without predefined inputs highlights its potency in unveiling latent physical laws.

This methodology signifies a substantial step forward in the application of unsupervised learning to condensed matter physics. It shows promise in identifying complex or unknown phases where traditional order parameters may not exist or are difficult to determine. Furthermore, the approach paves the way for future research into models with hidden or multiple intertwined orders, potentially aiding in the classification of quantum phases without a predetermined Hamiltonian.

Future Perspectives

Though PCA's capacity for linear transformation has yielded promising results, there is room for enhancing its applicability to more intricate phase transitions involving topological orders or emergent properties. The integration of kernel methods or deep learning-based autoencoders may empower these models to encapsulate nonlinear aspects crucial to understanding such complex systems.

Moreover, while the paper focuses on classical thermal phase transitions, its implications extend to quantum systems. The ability to discern phases and quantum transitions directly from wave-function data without explicit knowledge of the governing Hamiltonian could revolutionize experimental and theoretical investigations in the quantum domain.

In conclusion, this paper demonstrates a compelling use case for unsupervised learning in physics, especially in scenarios involving large and complex datasets. It invites further exploration into advanced machine learning methodologies within the condensed matter field, promising new insights and tools to address longstanding challenges.