5 papers
Consensus-based adaptive sampling and approximation for high-dimensional energy landscapes
Liyao Lyu, Huan Lei
We present a consensus-based framework that unifies phase space exploration with posterior-residual-based adaptive sampling for surrogate construction in high-dimensional energy la…
High-Dimensional Enhanced Sampling via Regularized Path-Dependent McKean--Vlasov Dynamics using Tensor Density Approximation
Liyao Lyu, Siyu Guo, Huan Lei
Sampling from high-dimensional Gibbs measures poses a challenge when the energy landscape consists of multiple metastable states. Enhanced-sampling methods mitigate this difficulty…
From molecular dynamics to kinetic models: data-driven generalized collision operators in 1D3V plasmas
Yue Zhao, Guosheng Fu, Huan Lei
We present a data-driven approach for constructing generalized collisional kinetic models for inhomogeneous plasmas in one-dimensional physical space and three-dimensional velocity…
A stochastic branching particle method for solving non-conservative reaction-diffusion equations
Liyao Lyu, Huan Lei
We propose a stochastic branching particle-based method for solving nonlinear non-conservative advection-diffusion-reaction equations. The method splits the evolution into an advec…
A unified framework for data-driven construction of stochastic reduced models with state-dependent memory
Zhiyuan She, Liyao Lyu, Bryan Ronain Smith +1
We present a unified framework for the data-driven construction of stochastic reduced models with state-dependent memory for high-dimensional Hamiltonian systems. The method addres…