Understanding quantum phase transitions in physical systems is fundamental to characterize their behavior at low temperatures. Achieving this requires both accessing good approximations to the ground state and identifying order parameters to distinguish different phases. Addressing these challenges, our work introduces a hybrid algorithm that combines quantum optimization with classical machine learning. This approach leverages the capability of near-term quantum computers to prepare locally trapped states through finite optimization. Specifically, we apply LASSO for identifying conventional phase transitions and the Transformer model for topological transitions, utilizing these with a sliding window scan of Hamiltonian parameters to learn appropriate order parameters and locate critical points. We validated the method with numerical simulations and real-hardware experiments on Rigetti's Ankaa 9Q-1 quantum computer. This protocol provides a framework for investigating quantum phase transitions with shallow circuits, offering enhanced efficiency and, in some settings, higher precision-thus contributing to the broader effort to integrate near-term quantum computing and machine learning.
Understanding quantum phase transitions in physical systems is fundamental to characterize their behavior at low temperatures. Achieving this requires both accessing good approximations to the ground state and identifying order parameters to distinguish different phases. Addressing these challenges, our work introduces a hybrid algorithm that combines quantum optimization with classical machine learning. This approach leverages the capability of near-term quantum computers to prepare locally trapped states through finite optimization. Specifically, we apply LASSO for identifying conventional phase transitions and the Transformer model for topological transitions, utilizing these with a sliding window scan of Hamiltonian parameters to learn appropriate order parameters and locate critical points. We validated the method with numerical simulations and real-hardware experiments on Rigetti's Ankaa 9Q-1 quantum computer. This protocol provides a framework for investigating quantum phase transitions with shallow circuits, offering enhanced efficiency and, in some settings, higher precision-thus contributing to the broader effort to integrate near-term quantum computing and machine learning.
Learning many-body quantum states and quantum phase transitions remains a major challenge in quantum many-body physics. Classical machine learning methods offer certain advantages in addressing these difficulties. In this work, we propose a novel framework that bypasses the need to measure physical observables by directly learning the parameters of parameterized quantum circuits. By integrating the attention mechanism from large language models (LLMs) with a variational autoencoder (VAE), we efficiently capture hidden correlations within the circuit parameters. These correlations allow us to extract information about quantum phase transitions in an unsupervised manner. Moreover, our VAE acts as a classical representation of parameterized quantum circuits and the corresponding many-body quantum states, enabling the efficient generation of quantum states associated with specific phases. We apply our framework to a variety of quantum systems and demonstrate its broad applicability, with particularly strong performance in identifying topological quantum phase transitions.
Abstract Learning many-body quantum states and quantum phase transitions remains a major challenge in quantum many-body physics. Classical machine learning methods offer certain advantages in addressing these difficulties. In this work, we propose a novel framework that bypasses the need to measure physical observables by directly learning the parameters of parameterized quantum circuits. By integrating the attention mechanism from large language models (LLMs) with a variational autoencoder (VAE), we efficiently capture hidden correlations within the circuit parameters. These correlations allow us to extract information about quantum phase transitions in an unsupervised manner. Moreover, our VAE acts as a classical representation of parameterized quantum circuits and the corresponding many-body quantum states, enabling the efficient generation of quantum states associated with specific phases. We apply our framework to a variety of quantum systems and demonstrate its broad applicability, with particularly strong performance in identifying topological quantum phase transitions.
In this thesis, I explore the domain of hybrid quantum-classical computation, the foremost approach for utilizing Noisy Intermediate-Scale Quantum (NISQ) devices. The opening chapter presents an overview of Variational Quantum Algorithms (VQAs), highlighting the primary algorithmic challenges. It offers an in-depth review of the Quantum Approximate Optimization Algorithm (QAOA), discussing its variants for ground state preparation. In the second chapter, we apply QAOA for the supervised learning of a simple Binary Neural Network. This model represents an idealized yet prototypical example of classical combinatorial optimization problems involving multi-spin interactions. In the following chapters, the discussion shifts toward quantum many-body ground state preparation, focusing on the one-dimensional Heisenberg XYZ model and the longitudinal-transverse-field Ising model (LTFIM). We have developed a novel technique that, at any point in the phase diagram, leverages the transferability of a specific class of optimal schedules from systems with small to those with larger numbers of qubits. This approach mitigates trainability issues, specifically vanishing gradients (Barren Plateaus). Next, we tailor a QAOA scheme to characterize a topological quantum phase transition within a lattice gauge theory model. This investigation is particularly significant due to its implications for high-energy physics and relevance to quantum error correction and surface codes. In the concluding chapter, I propose new stimulating research directions and help to identify core challenges and unresolved questions in variational quantum computing that transcend any particular application domain.
Quantum-enhanced topological phase transition modeling presents a novel approach to understanding and predicting these complex phenomena. This research focuses on developing a computational framework leveraging quantum algorithms to simulate the evolution of topological order and identify critical points, ultimately providing insights into transition mechanisms and stability. The core mechanism involves applying quantum simulations to explore the interplay between quantum entanglement, topological order, and phase transition dynamics, offering a fundamentally different perspective compared to classical methods. This work seeks to expand the current understanding of topological phase transitions by offering a powerful tool for analysis and prediction. The proposed framework integrates quantum computing with established topological phase transition theory, aiming for improved accuracy and efficiency in modeling these phenomena.
The variational quantum eigensolver (VQE) is regarded as a promising candidate of hybrid quantum-classical algorithms for near-term quantum computers. Meanwhile, VQE is confronted with a challenge that statistical error associated with measurement as well as systematic error could significantly hamper the optimization. To circumvent this issue, we propose the classically optimized VQE (CO-VQE), where the whole process of optimization is efficiently conducted on a classical computer. The efficacy of the method is guaranteed by the observation that quantum circuits with up to logarithmic depth are classically tractable via simulations of local subsystems with up to quasipolynomial cost (polynomial for constant depth). In CO-VQE, we only use quantum computers to measure nonlocal quantities after the parameters are optimized. As a proof of concept, we present numerical experiments on quantum spin models with topological phases. After the optimization, we identify the topological phases by nonlocal order parameters as well as unsupervised machine learning on inner products between quantum states. The proposed method maximizes the advantage of using quantum computers while avoiding strenuous optimization on noisy quantum devices. In addition, our paper indicates that clustering technique combined with the fidelity measured on quantum computers could be useful for phase classification in condensed-matter physics.
The identification and characterization of phase transitions is one of the oldest and most central problems in condensed matter physics, traditionally approached through order parameters, free-energy expansions, renormalization-group analysis, and direct numerical simulation. Over the past decade, machine learning (ML) has emerged as a complementary and, in some regimes, transformative methodology for this task. Supervised classifiers can learn to distinguish phases directly from raw configurations without an a priori order parameter; unsupervised and self-supervised techniques such as principal component analysis, autoencoders, and learning-by-confusion can locate transition points with minimal or no labeled data; and generative and variational architectures, including neural-network quantum states, now approximate ground-state wavefunctions of strongly correlated systems well beyond the reach of exact diagonalization. This paper reviews the theoretical foundations of phase transitions relevant to machine-learning applications, surveys the principal families of algorithms used to detect and classify phases, and examines their application across classical spin systems, percolation, topological and quantum phases, strongly correlated electron systems, and experimentally measured spectroscopic data. Representative case studies are discussed, including convolutional and graph-neural-network classifiers of lattice configurations, explainable-ML detection of thermodynamic transitions in photoemission spectra, and deep-learning-guided discovery of high-temperature superconductors. The review closes with a critical discussion of persistent challenges interpretability, data scarcity in correlated-electron experiments, generalization across Hamiltonians, and the reliability of learned order parameters near criticality and outlines directions for future research, including physics-informed architectures, uncertainty quantification, and closed-loop integration with autonomous experimentation.