An Analytic Theory of Quantum Imaginary Time Evolution

Quantum imaginary time evolution (QITE) algorithm is one of the most promising variational quantum algorithms (VQAs), bridging the current era of Noisy Intermediate-Scale Quantum devices and the future of fully fault-tolerant quantum computing. Although practical demonstrations of QITE and its potential advantages over the general VQA trained with vanilla gradient descent (GD) in certain tasks have been reported, a first-principle, theoretical understanding of QITE remains limited. Here, we aim to develop an analytic theory for the dynamics of QITE. First, we show that QITE can be interpreted as a form of a general VQA trained with Quantum Natural Gradient Descent (QNGD), where the inverse quantum Fisher information matrix serves as the learning-rate tensor. This equivalence is established not only at the level of gradient update rules, but also through the action principle: the variational principle can be directly connected to the geometric geodesic distance in the quantum Fisher information metric, up to an integration constant. Second, for wide quantum neural networks, we employ the quantum neural tangent kernel framework to construct an analytic model for QITE. We prove that QITE always converges faster than GD-based VQA, though this advantage is suppressed by the exponential growth of Hilbert space dimension. This helps explain certain experimental results in quantum computational chemistry. Our theory encompasses linear, quadratic, and more general loss functions. We validate the analytic results through numerical simulations. Our findings establish a theoretical foundation for QITE dynamics and provide analytic insights for the first-principle design of variational quantum algorithms.

Mixed-State Quantum Denoising Diffusion Probabilistic Model

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.

Quantum-data-driven dynamical transition in quantum learning

Quantum circuits are an essential ingredient of quantum information processing. Parameterized quantum circuits optimized under a specific cost function -- quantum neural networks (QNNs) -- provide a paradigm for achieving quantum advantage in the near term. Understanding QNN training dynamics is crucial for optimizing their performance. In terms of supervised learning tasks such as classification and regression for large datasets, the role of quantum data in QNN training dynamics remains unclear. We reveal a quantum-data-driven dynamical transition, where the target value and data determine the polynomial or exponential convergence of the training. We analytically derive the complete classification of fixed points from the dynamical equation and reveal a comprehensive `phase diagram' featuring seven distinct dynamics. These dynamics originate from a bifurcation transition with multiple codimensions induced by training data, extending the transcritical bifurcation in simple optimization tasks. Furthermore, perturbative analyses identify an exponential convergence class and a polynomial convergence class among the seven dynamics. We provide a non-perturbative theory to explain the transition via generalized restricted Haar ensemble. The analytical results are confirmed with numerical simulations of QNN training and experimental verification on IBM quantum devices. As the QNN training dynamics is determined by the choice of the target value, our findings provide guidance on constructing the cost function to optimize the speed of convergence.

Dynamical phase transition in quantum neural networks with large depth

Understanding the training dynamics of quantum neural networks is a fundamental task in quantum information science with wide impact in physics, chemistry and machine learning. In this work, we show that the late-time training dynamics of quantum neural networks can be described by the generalized Lotka-Volterra equations, which lead to a dynamical phase transition. When the targeted value of cost function crosses the minimum achievable value from above to below, the dynamics evolve from a frozen-kernel phase to a frozen-error phase, showing a duality between the quantum neural tangent kernel and the total error. In both phases, the convergence towards the fixed point is exponential, while at the critical point becomes polynomial. Via mapping the Hessian of the training dynamics to a Hamiltonian in the imaginary time, we reveal the nature of the phase transition to be second-order with the exponent $\nu=1$, where scale invariance and closing gap are observed at critical point. We also provide a non-perturbative analytical theory to explain the phase transition via a restricted Haar ensemble at late time, when the output state approaches the steady state. The theory findings are verified experimentally on IBM quantum devices.

Generative quantum machine learning via denoising diffusion probabilistic models

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 quantum denoising diffusion probabilistic models (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 demonstrate QuDDPM's capability in learning correlated quantum noise model and learning topological structure of nontrivial distribution of quantum data.

Energy-dependent barren plateau in bosonic variational quantum circuits

Bosonic continuous-variable Variational quantum circuits (VQCs) are crucial for information processing in cavity quantum electrodynamics and optical systems, widely applicable in quantum communication, sensing and error correction. The trainability of such VQCs is less understood, hindered by the lack of theoretical tools such as $t$-design due to the infinite dimension of the physical systems involved. We overcome this difficulty to reveal an energy-dependent barren plateau in such VQCs. The variance of the gradient decays as $1/E^{M\nu}$, exponential in the number of modes $M$ but polynomial in the (per-mode) circuit energy $E$. The exponent $\nu=1$ for shallow circuits and $\nu=2$ for deep circuits. We prove these results for state preparation of general Gaussian states and number states. We also provide numerical evidence that the results extend to general state preparation tasks. As circuit energy is a controllable parameter, we provide a strategy to mitigate the barren plateau in continuous-variable VQCs.