Stochastic Schrödinger Diffusion Models for Pure-State Ensemble Generation
Authors: Jian Xu, Wei Chen, Shigui Li, Chao Li, Jingyuan Zheng, Delu Zeng, John Paisley, Qibin Zhao
Organizations: 1RIKEN iTHEMS · 2RIKEN AIP · 3South China University of Technology · 4Stanford University · 5Columbia University
Abstract
Quantum machine learning increasingly relies on pure-state representations, motivating generative models that sample directly in quantum representation space rather than perturbing classical inputs and re-encoding. We introduce Stochastic Schrödinger Diffusion Models (SSDMs), a score-based generative framework that defines diffusion, scores, and reverse-time sampling intrinsically on the complex projective manifold CPd−1 under the Fubini--Study metric. SSDMs combine a Riemannian Ornstein--Uhlenbeck forward diffusion with a stochastic Schrödinger realization, and learn reverse-time dynamics driven by the Riemannian score. Our central technical contribution is a local-time learning objective that exploits the local Euclidean OU limit of intrinsic manifold diffusions in Fubini-Study normal coordinates to obtain an analytic teacher score, bypassing the intractable transition densities that limit existing Riemannian score-based models. Across synthetic, physics-inspired (TFIM, XXZ), and quantum feature-state benchmarks up to 14 qubits, SSDMs match target pure-state ensembles by orders of magnitude on MMD and observable statistics over both ambient Euclidean and matched Riemannian score-based baselines, and improve representation-level diagnostics for downstream quantum kernel methods.
Quantum diffusion models provide a physics-consistent route to generative learning by formulating noising and denoising directly on quantum states. However, applying such models to classical high-dimensional data is constrained by the qubit cost of state encoding and the computational burden of simulating large density operators. We propose a scalable hybrid generative pipeline that combines a classical autoencoder for dimensionality reduction with a mixed-state quantum denoising diffusion probabilistic model (MSQuDDPM) operating in the learned latent space. The autoencoder compresses data into compact latent codes that can be embedded into a small-qubit Hilbert space, after which the quantum diffusion model learns a generative distribution over latent density operators and decodes samples back to the original domain. Algorithmically, we simplify the reverse dynamics by predicting an estimate of the clean state ρ0 at timestep t and computing the one-step reverse update via an analytic backward propagation rule, rather than learning an explicit predictor for ρt−1. We demonstrate the proposed approach on MNIST image generation and discuss how mixed-state quantum diffusion can serve as a practical backbone for hybrid quantum--classical generative modeling under realistic qubit budgets.
Learning generative models in settings where the source and target distributions are only specified through unpaired samples is gaining in importance. Here, one frequently-used model are Schrödinger bridges (SB), which represent the most likely evolution between both endpoint distributions. To accelerate training, simulation-free SBs avoid the path simulation of the original SB models. However, learning simulation-free SBs requires paired data; a coupling of the source and target samples is obtained as the solution of the entropic optimal transport (OT) problem. As obtaining the optimal global coupling is infeasible in many practical cases, the entropic OT problem is iteratively solved on minibatches instead. Still, the repeated cost remains substantial and the locality can distort the global transport geometry. We propose quantized diffusion Schrödinger bridges (QDSB), which compute the endpoint coupling on anchor-quantized endpoint distributions and lift the resulting plan back to original data points through cell-wise sampling. We show that the regularized optimal coupling is stable w.r.t. anchor quantization, with an error controlled by the quality of the anchor approximation. In real-world experiments, QDSB matches the sample quality of existing baselines, requiring substantially less time. Code and data are available at github.com/mathefuchs/qdsb.
The flow matching has rapidly become a dominant paradigm in classical generative modeling, offering an efficient way to interpolate between two complex distributions. We extend this idea to the quantum realm and introduce the Quantum Flow Matching (QFM), a quantum-circuit realization that offers efficient interpolation between two density matrices. QFM offers systematic preparation of density matrices and generation of samples for accurately estimating observables, and can be realized on quantum computers without the need for costly circuit redesigns. We validate its versatility on a set of applications: (i) generating target states with prescribed magnetization and entanglement entropy, (ii) estimating nonequilibrium free-energy differences to test the quantum Jarzynski equality, and (iii) expediting the study on superdiffusion. These results position QFM as a unifying and promising framework for generative modeling across quantum systems.