5 papers
GPUMDkit: A User-Friendly Toolkit for GPUMD and NEP
Zihan Yan, Denan Li, Xin Wu +20
Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics proce…
Your Group-Relative Advantage Is Biased
Fengkai Yang, Zherui Chen, Xiaohan Wang +10
Reinforcement Learning from Verifier Rewards (RLVR) has emerged as a widely used approach for post-training large language models on reasoning tasks, with group-based methods such…
Operator-Level Quantum Acceleration of Non-Logconcave Sampling
Jiaqi Leng, Zhiyan Ding, Zherui Chen +1
Sampling from probability distributions of the form , where is a continuous potential, is a fundamental task across physics, chemistry, biology, computer sc…
Quantum Replica Exchange
Zherui Chen, Joao Basso, Zhiyan Ding +1
The presence of energy barriers in the state space of a physical system can lead to exponentially slow convergence for sampling algorithms like Markov chain Monte Carlo (MCMC). In…
Quantum Langevin Dynamics for Optimization
Zherui Chen, Yuchen Lu, Hao Wang +2
We initiate the study of utilizing Quantum Langevin Dynamics (QLD) to solve optimization problems, particularly those non-convex objective functions that present substantial obstac…