Xuda Ye

h-index2
2papers
24citations

2 Papers

7.4LGApr 7Code
Jeffreys Flow: Robust Boltzmann Generators for Rare Event Sampling via Parallel Tempering Distillation

Guang Lin, Christian Moya, Di Qi et al.

Sampling physical systems with rough energy landscapes is hindered by rare events and metastable trapping. While Boltzmann generators already offer a solution, their reliance on the reverse Kullback--Leibler divergence frequently induces catastrophic mode collapse, missing specific modes in multi-modal distributions. Here, we introduce the Jeffreys Flow, a robust generative framework that mitigates this failure by distilling empirical sampling data from Parallel Tempering trajectories using the symmetric Jeffreys divergence. This formulation effectively balances local target-seeking precision with global modes coverage. We show that minimizing Jeffreys divergence suppresses mode collapse and structurally corrects inherent inaccuracies via distillation of the empirical reference data. We demonstrate the framework's scalability and accuracy on highly non-convex multidimensional benchmarks, including the systematic correction of stochastic gradient biases in Replica Exchange Stochastic Gradient Langevin Dynamics and the massive acceleration of exact importance sampling in Path Integral Monte Carlo for quantum thermal states.

QUANT-PHJun 26
Optimal Convergence Rate of Lie-Trotter Approximation for Quantum Thermal Averages

Xuda Ye, Zhennan Zhou

The Lie--Trotter product formula is a foundational approximation for the quantum partition function, yet obtaining rigorous error bounds for the unbounded Hamiltonians common in physics remains a challenge. This paper provides a quantitative error analysis for this approximation across two systems. For a particle in a smooth, periodic potential, we establish an optimal convergence rate of $\mathcal O(1/N^2)$ for both the partition function and thermal averages, where $N$ is the number of imaginary time steps. We then extend this analysis to the more challenging case of a confining potential on $\mathbb R$, proving a nearly optimal rate of $\mathcal O((\log N+1)^{1.5}/N^2)$. The derived error bounds provide a firm mathematical foundation for the second-order accuracy of path integral simulations in quantum statistical mechanics.