Diffusion‐Enhanced Optimization of Variational Quantum Eigensolver for General Hamiltonians

ABSTRACT Variational quantum algorithms (VQAs) have emerged as a promising approach for achieving quantum advantage on current noisy intermediate‐scale quantum devices. However, their large‐scale applications are significantly hindered by optimization challenges, such as the barren plateau (BP) phenomenon, local minima, and numerous iteration demands. In this work, we leverage denoising diffusion models (DM) to address these difficulties. The DM is trained on a few data points in the Heisenberg model parameter space and then can be guided to generate high‐performance parameters for parameterized quantum circuits (PQCs) in variational quantum eigensolver (VQE) tasks for general Hamiltonians. Numerical experiments demonstrate that DM‐parameterized VQE can explore the ground‐state energies of Heisenberg models with parameters not included in the training dataset. Even when applied to previously unseen Hamiltonians, such as the Ising and Hubbard models, it can generate the appropriate initial state to achieve rapid convergence and mitigate the BP and local minima problems. More interestingly, we discover the possibility of parameter transferability and extrapolation among different quantum many‐body Hamiltonians.