Variational autoencoders are powerful representation learning models that map complex data into low-dimensional latent spaces, enabling the discovery of interpretable and disentangled factors. Such representations can facilitate the interpretation and controllable generation of data describing complex scientific systems. Understanding how these factors are organized and encoded in latent space is therefore important for developing reliable representation learning models. Recently, quantum variational autoencoders (QVAEs) have been proposed as quantum representation models, demonstrating informative latent representations and improved latent-space occupancy through quantum regularization. However, it remains unclear whether and how QVAEs can learn disentangled and interpretable latent factors. A key challenge in investigating quantum latent factors is that a small number of qubits spans an exponentially large Hilbert space, making the notion of an individual quantum latent dimension nontrivial. Here, we investigate what constitutes an individual quantum latent dimension and whether it can encode a distinct factor. We develop theoretical insights into quantum latent dimensions and support them with empirical studies on representative synthetic problems, including MNIST variants. Across three datasets, we demonstrate that QVAEs can discover factorized and semantically interpretable latent representations, with individual qubits functioning as meaningful latent factors. These results establish a foundation for understanding quantum latent spaces and their potential for structured and interpretable representation learning.
Variational autoencoders are powerful representation learning models that map complex data into low-dimensional latent spaces, enabling the discovery of interpretable and disentangled factors. Such representations can facilitate the interpretation and controllable generation of data describing complex scientific systems. Understanding how these factors are organized and encoded in latent space is therefore important for developing reliable representation learning models. Recently, quantum variational autoencoders (QVAEs) have been proposed as quantum representation models, demonstrating informative latent representations and improved latent-space occupancy through quantum regularization. However, it remains unclear whether and how QVAEs can learn disentangled and interpretable latent factors. A key challenge in investigating quantum latent factors is that a small number of qubits spans an exponentially large Hilbert space, making the notion of an individual quantum latent dimension nontrivial. Here, we investigate what constitutes an individual quantum latent dimension and whether it can encode a distinct factor. We develop theoretical insights into quantum latent dimensions and support them with empirical studies on representative synthetic problems, including MNIST variants. Across three datasets, we demonstrate that QVAEs can discover factorized and semantically interpretable latent representations, with individual qubits functioning as meaningful latent factors. These results establish a foundation for understanding quantum latent spaces and their potential for structured and interpretable representation learning.
A major challenge in near-term quantum computing is its application to large real-world datasets due to scarce quantum hardware resources. One approach to enabling tractable quantum models for such datasets involves finding low-dimensional representations that preserve essential information for downstream analysis. In classical machine learning, variational autoencoders (VAEs) facilitate efficient data compression, representation learning for subsequent tasks, and novel data generation. However, no quantum model has been proposed that exactly captures all of these features for direct application to quantum data on quantum computers. Some existing quantum models for data compression lack regularization of latent representations, thus preventing direct use for generation and control of generalization. Others are hybrid models with only some internal quantum components, impeding direct training on quantum data. To address this, we present a fully quantum framework, $\ensuremath{\zeta}$-QVAE, which encompasses all the capabilities of classical VAEs and can be directly applied to map both classical and quantum data to a lower-dimensional space, while effectively reconstructing much of the original state from it. Our model utilizes regularized mixed states to attain optimal latent representations. It accommodates various divergences for reconstruction and regularization. Furthermore, by accommodating mixed states at every stage, it can utilize the full data density matrix and allow for a training objective defined on probabilistic mixtures of input data. Doing so, in turn, makes efficient optimization possible and has potential implications for private and federated learning. In addition to exploring the theoretical properties of $\ensuremath{\zeta}$-QVAE, we demonstrate its performance on representative genomics and synthetic data. Our results indicate that $\ensuremath{\zeta}$-QVAE consistently learns representations that better utilize the capacity of the latent space and exhibits similar or better performance compared with matched classical models.
ζ-QVAE: A Quantum Variational Autoencoder utilizing Regularized Mixed-state Latent Representations
A major challenge in quantum computing is its application to large real-world datasets due to scarce quantum hardware resources. One approach to enabling tractable quantum models for such datasets involves finding low-dimensional representations that preserve essential information for downstream analysis. In classical machine learning, variational autoencoders (VAEs) facilitate efficient data compression, representation learning for subsequent tasks, and novel data generation. However, no quantum model has been proposed that captures these features for direct application to quantum data on quantum computers. Some existing quantum models for data compression lack regularization of latent representations. Others are hybrid models with only some internal quantum components, impeding direct training on quantum data. To address this, we present a fully quantum framework, ζ-QVAE, which encompasses all the capabilities of classical VAEs and can be directly applied to map both classical and quantum data to a lower-dimensional space, while effectively reconstructing much of the original state from it. Our model utilizes regularized mixed states to attain optimal latent representations. It accommodates various divergences for reconstruction and regularization. Furthermore, by accommodating mixed states at every stage, it can utilize the full-data density matrix and allow for a training objective defined on probabilistic mixtures of input data. Doing so, in turn, makes efficient optimization possible and has potential implications for private and federated learning. In addition to exploring the theoretical properties of ζ-QVAE, we demonstrate its performance on genomics and synthetic data. Our results indicate that ζ-QVAE learns representations that better utilize the capacity of the latent space and exhibits similar or better performance compared to matched classical models.
Interpretable machine learning is rapidly becoming a crucial tool for scientific discovery. Among existing approaches, variational autoencoders (VAEs) have shown promise in extracting the hidden physical features of some input data, with no supervision nor prior knowledge of the system at study. Yet the ability of VAEs to create meaningful, interpretable representations relies on their accurate approximation of the underlying probability distribution of their input. When dealing with quantum data, VAEs must hence account for its intrinsic randomness and complex correlations. While VAEs have been previously applied to quantum data, they have often neglected its probabilistic nature, hindering the extraction of meaningful physical descriptors. Here we demonstrate that two key modifications enable VAEs to learn physically meaningful latent representations: a decoder capable of faithfully reproducing the probability distributions of quantum states and a probabilistic loss tailored to this task. Using benchmark quantum spin models, we identify regimes where standard methods fail while the representations learned by our approach remain meaningful and interpretable. Applied to experimental data from Rydberg atom arrays, the model autonomously uncovers the phase structure without access to prior labels, Hamiltonian details, or knowledge of relevant order parameters, highlighting its potential as an unsupervised and interpretable tool for the study of quantum systems.
Interpretable machine learning techniques are becoming essential tools for extracting physical insights from complex quantum data. We build on recent advances in variational autoencoders to demonstrate that such models can learn physically meaningful and interpretable representations from a broad class of unlabeled quantum datasets. From raw measurement data alone, the learned representation reveals rich information about the underlying structure of quantum phase diagrams. We further augment the learning pipeline with symbolic methods, enabling the discovery of compact analytical descriptors that serve as order parameters for the distinct regimes emerging in the learned representations. We demonstrate the framework on experimental Rydberg-atom snapshots, classical shadows of the cluster Ising model, and hybrid discrete-continuous fermionic data, revealing previously unreported phenomena such as a corner-ordering pattern in the Rydberg arrays. These results establish a general framework, which constitutes an important step toward the autonomous discovery of physical descriptors from diverse quantum datasets. All methods are available through qdisc, an open-source Python library designed to make these tools accessible to the broader community.
Abstract Variational autoencoders (VAEs) are powerful generative models with the salient ability to perform inference. Here, we introduce a quantum variational autoencoder (QVAE): a VAE whose latent generative process is implemented as a quantum Boltzmann machine (QBM). We show that our model can be trained end-to-end by maximizing a well-defined loss-function: a ‘quantum’ lower-bound to a variational approximation of the log-likelihood. We use quantum Monte Carlo (QMC) simulations to train and evaluate the performance of QVAEs. To achieve the best performance, we first create a VAE platform with discrete latent space generated by a restricted Boltzmann machine. Our model achieves state-of-the-art performance on the MNIST dataset when compared against similar approaches that only involve discrete variables in the generative process. We consider QVAEs with a smaller number of latent units to be able to perform QMC simulations, which are computationally expensive. We show that QVAEs can be trained effectively in regimes where quantum effects are relevant despite training via the quantum bound. Our findings open the way to the use of quantum computers to train QVAEs to achieve competitive performance for generative models. Placing a QBM in the latent space of a VAE leverages the full potential of current and next-generation quantum computers as sampling devices.
Recent progress in quantum algorithms and hardware indicates the potential importance of quantum computing in the near future. However, finding suitable application areas remains an active area of research. Quantum machine learning is touted as a potential approach to demonstrate quantum advantage within both the gate-model and the adiabatic schemes. For instance, the Quantum-assisted Variational Autoencoder (QVAE) has been proposed as a quantum enhancement to the discrete VAE. We extend on previous work and study the real-world applicability of a QVAE by presenting a proof-of-concept for similarity search in large-scale high-dimensional datasets. While exact and fast similarity search algorithms are available for low dimensional datasets, scaling to high-dimensional data is non-trivial. We show how to construct a space-efficient search index based on the latent space representation of a QVAE. Our experiments show a correlation between the Hamming distance in the embedded space and the Euclidean distance in the original space on the Moderate Resolution Imaging Spectroradiometer (MODIS) dataset.Further, we find real-world speedups compared to linear search and demonstrate memory-efficient scaling to half a billion data points.