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SciPost Physics Core

Identifying quantum phase transitions with minimal prior knowledge by unsupervised learning

Mohamad Ali Marashli, Henry Lam Ho Lai, Hamam Mokayed, Fredrik Sandin, Marcus Liwicki, Ho-Kin Tang, Wing Chi Yu

Published Mar 6, 2025• 4 citations
Publisher

Abstract

In this work, we proposed a novel approach for identifying quantum phase transitions in one-dimensional quantum many-body systems using AutoEncoder (AE), an unsupervised machine learning technique, with minimal prior knowledge. The training of the AEs is done with reduced density matrix (RDM) data obtained by Exact Diagonalization (ED) across the entire range of the driving parameter and thus no prior knowledge of the phase diagram is required. With this method, we successfully detect the phase transitions in a wide range of models with multiple phase transitions of different types, including the topological and the Berezinskii-Kosterlitz-Thouless transitions by tracking the changes in the reconstruction loss of the AE. The learned representation of the AE is used to characterize the physical phenomena underlying different quantum phases. Our methodology demonstrates a new approach to studying quantum phase transitions with minimal knowledge, small amount of needed data, and produces compressed representations of the quantum states.

DOI
10.21468/scipostphyscore.8.1.029

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In this work, we proposed a novel approach for identifying quantum phase transitions in one-dimensional quantum many-body systems using AutoEncoder (AE), an unsupervised machine learning technique, with minimal prior knowledge. The training of the AEs is done with reduced density matrix (RDM) data obtained by Exact Diagonalization (ED) across the entire range of the driving parameter and thus no prior knowledge of the phase diagram is required. With this method, we successfully detect the phase transitions in a wide range of models with multiple phase transitions of different types, including the topological and the Berezinskii-Kosterlitz-Thouless transitions by tracking the changes in the reconstruction loss of the AE. The learned representation of the AE is used to characterize the physical phenomena underlying different quantum phases. Our methodology demonstrates a new approach to studying quantum phase transitions with minimal knowledge, small amount of needed data, and produces compressed representations of the quantum states.
The application of state-of-the-art machine learning techniques to statistical physic problems has seen a surge of interest for their ability to discriminate phases of matter by extracting essential features in the many-body wavefunction or the ensemble of correlators sampled in Monte Carlo simulations. Here we introduce a gener- alization of supervised machine learning approaches that allows to accurately map out phase diagrams of inter- acting many-body systems without any prior knowledge, e.g. of their general topology or the number of distinct phases. To substantiate the versatility of this approach, which combines convolutional neural networks with quantum Monte Carlo sampling, we map out the phase diagrams of interacting boson and fermion models both at zero and finite temperatures and show that first-order, second-order, and Kosterlitz-Thouless phase transitions can all be identified. We explicitly demonstrate that our approach is capable of identifying the phase transition to non-trivial many-body phases such as superfluids or topologically ordered phases without supervision.
Quantum many-body (QMB) systems are generally computationally hard: the computing resources necessary to simulate them exactly can often exceed the existing computation resources by orders of magnitude. For this reason, Richard Feynman proposed the concept of a quantum simulator: quantum systems engineered to obey a prescribed evolution equation and repeating the experiment multiple times. Experimentally, however, as we explain below, the vast majority of observables describing the system are inaccessible. Thus, while Feynman's idea addresses the problem of simulating quantum dynamics, it leaves unsolved the equally fundamental problem of inferring the underlying physics from the limited observables accessible in experiments. Indeed, many complex phenomena associated with QMB systems remain elusive. Perhaps, the most important example is identifying phase transitions in QMB systems when no simple order-parameter exists, which poses major challenges to this day. Complicating the problem further is the fact that, in most cases, it is impossible to learn from numerical simulations, as the underlying systems are often too large to be computable, and small QMB can show strong finite size effects, masking the presence of the transition. Here, we present an unsupervised machine learning approach to study QMB experiments, specifically aimed at detecting phase transitions and crossovers directly from raw experimental measurements. We demonstrate our methodology on systems undergoing Many-Body Localization cross-over and Mott-to-Superfluid phase-transition, showing that it reveals collective phenomena from the very partial experimental data and without any model-specific prior knowledge of the system. This approach offers a general and scalable route for data-driven discovery of emergent phenomena in complex quantum many-body systems.
Abstract Identifying phase transitions is one of the key challenges in quantum many-body physics. Recently, machine learning methods have been shown to be an alternative way of localising phase boundaries from noisy and imperfect data without the knowledge of the order parameter. Here, we apply different unsupervised machine learning techniques, including anomaly detection and influence functions, to experimental data from ultracold atoms. In this way, we obtain the topological phase diagram of the Haldane model in a completely unbiased fashion. We show that these methods can successfully be applied to experimental data at finite temperatures and to the data of Floquet systems when post-processing the data to a single micromotion phase. Our work provides a benchmark for the unsupervised detection of new exotic phases in complex many-body systems.
Unsupervised learning is a discipline of machine learning which aims at discovering patterns in large 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 of the original data and use clustering analysis to identify distinct phases in the feature space. This approach successfully finds physical concepts such as the order parameter and structure factor to be indicators of a phase transition. We discuss the future prospects of discovering more complex phases and phase transitions using unsupervised learning techniques.
Characterizing quantum many-body phase structure is a major goal for quantum simulation. Here, we employ an unsupervised learning approach based on diffusion maps to learn phase transitions in bosonic lattice systems described by Bose-Hubbard type models, which can be realized in ultracold atoms and related quantum simulation platforms. We demonstrate that this approach identifies phase structure across distinct settings without prior knowledge of order parameters or handcrafted observables, including ground-state transitions involving symmetry-protected topological phases and nonequilibrium regimes distinguishing ergodic and many-body localized behavior. Our results indicate that the approach has the potential for direct application to experimentally accessible measurement data for learning quantum phases in current quantum simulators.
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.