2 papers
math.NA2026
Mathematical analysis and numerical methods for the computation of transport coefficients in molecular dynamics
Noe Blassel, Louis Carillo, Shiva Darshan +7
We review various numerical approaches to compute transport coefficients in molecular dynamics. These approaches can be broadly classified into three groups: (i) nonequilibrium met…
stat.ML2025
Improving the stability of the covariance-controlled adaptive Langevin thermostat for large-scale Bayesian sampling
Jiani Wei, Xiaocheng Shang
Stochastic gradient Langevin dynamics and its variants approximate the likelihood of an entire dataset, via random (and typically much smaller) subsets, in the setting of Bayesian…