Distance metrics are central to machine learning, yet distances between ensembles of quantum states remain poorly understood due to fundamental quantum measurement constraints. We introduce a hierarchy of integral probability metrics, termed MMD-$k$, which generalizes the maximum mean discrepancy to quantum ensembles and exhibit a strict trade-off between discriminative power and statistical efficiency as the moment order $k$ increases. For pure-state ensembles of size $N$, estimating MMD-$k$ using experimentally feasible SWAP-test-based estimators requires $Θ(N^{2-2/k})$ samples for constant $k$, and $Θ(N^3)$ samples to achieve full discriminative power at $k = N$. In contrast, the quantum Wasserstein distance attains full discriminative power with $Θ(N^2 \log N)$ samples. These results provide principled guidance for the design of loss functions in quantum machine learning, which we illustrate in the training quantum denoising diffusion probabilistic models.

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 fully 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.

Generative quantum machine learning has gained significant attention for its ability to produce quantum states with desired distributions. Among various quantum generative models, quantum denoising diffusion probabilistic models (QuDDPMs) [Phys. Rev. Lett. 132, 100602 (2024)] provide a promising approach with stepwise learning that resolves the training issues. However, the requirement of high-fidelity scrambling unitaries in QuDDPM poses a challenge in near-term implementation. We propose the \textit{mixed-state quantum denoising diffusion probabilistic model} (MSQuDDPM) to eliminate the need for scrambling unitaries. Our approach focuses on adapting the quantum noise channels to the model architecture, which integrates depolarizing noise channels in the forward diffusion process and parameterized quantum circuits with projective measurements in the backward denoising steps. We also introduce several techniques to improve MSQuDDPM, including a cosine-exponent schedule of noise interpolation, the use of single-qubit random ancilla, and superfidelity-based cost functions to enhance the convergence. We evaluate MSQuDDPM on quantum ensemble generation tasks, demonstrating its successful performance.

Deep generative models are key-enabling technology to computer vision, text generation and large language models. Denoising diffusion probabilistic models (DDPMs) have recently gained much attention due to their ability to generate diverse and high-quality samples in many computer vision tasks, as well as to incorporate flexible model architectures and relatively simple training scheme. Quantum generative models, empowered by entanglement and superposition, have brought new insight to learning classical and quantum data. Inspired by the classical counterpart, we propose the \emph{quantum denoising diffusion probabilistic model} (QuDDPM) to enable efficiently trainable generative learning of quantum data. QuDDPM adopts sufficient layers of circuits to guarantee expressivity, while introduces multiple intermediate training tasks as interpolation between the target distribution and noise to avoid barren plateau and guarantee efficient training. We provide bounds on the learning error and demonstrate QuDDPM's capability in learning correlated quantum noise model, quantum many-body phases and topological structure of quantum data. The results provide a paradigm for versatile and efficient quantum generative learning.