arXiv subjects

Xuanxi Zhang

Publications and source records attributed to Xuanxi Zhang.

3 recordsLinked to original sources

arXiv2026

Quantum statistics from classical simulations via generative Gibbs sampling

Accurate simulation of nuclear quantum effects is essential for molecular modeling but expensive using path integral molecular dynamics (PIMD). We present GG-PI, a ring-polymer-based framework that combines generative modeling of the single-bead conditional density with Gibbs sampling to recover quantum statistics from classical simulation data. GG-PI uses inexpensive standard classical simulations or existing data for training and allows transfer across temperatures without retraining. On standard test systems, GG-PI significantly reduces wall clock time compared to PIMD. Our approach extends easily to a wide range of problems with similar Markov structure.

physics.chem-ph↗

arXiv2025

Progressive Optimal Path Sampling for Closed-Loop Optimal Control Design with Deep Neural Networks

Closed-loop optimal control design for high-dimensional nonlinear systems has been a long-standing challenge. Traditional methods, such as solving the associated Hamilton-Jacobi-Bellman equation, suffer from the curse of dimensionality. Recent literature proposed a new promising approach based on supervised learning, by leveraging powerful open-loop optimal control solvers to generate training data and neural networks as efficient high-dimensional function approximators to fit the closed-loop optimal control. This approach successfully handles certain high-dimensional optimal control problems but still performs poorly on more challenging problems. One of the crucial reasons for the failure is the so-called distribution mismatch phenomenon brought by the controlled dynamics. In this paper, we investigate this phenomenon and propose the Progressive Optimal Path Sampling (POPS) method to mitigate this problem. We theoretically prove that this enhanced sampling strategy outperforms both the vanilla approach and the widely used Dataset Aggregation (DAgger) method on the classical linear-quadratic regulator by a factor proportional to the total time duration. We further numerically demonstrate that the proposed sampling strategy significantly improves the performance on tested control problems, including the optimal landing problem of a quadrotor and the optimal reaching problem of a 7 DoF manipulator.

math.OC↗

arXiv2022

A Machine Learning Enhanced Algorithm for the Optimal Landing Problem

We propose a machine learning enhanced algorithm for solving the optimal landing problem. Using Pontryagin's minimum principle, we derive a two-point boundary value problem for the landing problem. The proposed algorithm uses deep learning to predict the optimal landing time and a space-marching technique to provide good initial guesses for the boundary value problem solver. The performance of the proposed method is studied using the quadrotor example, a reasonably high dimensional and strongly nonlinear system. Drastic improvement in reliability and efficiency is observed.

math.OC↗