activity
20122023
most citedVAMPnets: Deep learning of molecular kinetics

518 citations · 1.5k across the 21 of their papers we have counts for

collaborators

22 papers

math.NA2023★ 1 cited

Parameterized Wasserstein Hamiltonian Flow

Hao Wu, Shu Liu, Xiaojing Ye +1

In this work, we propose a numerical method to compute the Wasserstein Hamiltonian flow (WHF), which is a Hamiltonian system on the probability density manifold. Many well-known PD…

math.DS2021★ 17 cited

Deeptime: a Python library for machine learning dynamical models from time series data

Moritz Hoffmann, Martin Scherer, Tim Hempel +8

Generation and analysis of time-series data is relevant to many quantitative fields ranging from economics to fluid mechanics. In the physical sciences, structures such as metastab…

math.OC2021

A Stochastic Gradient Descent Theorem and the Back-Propagation Algorithm

Hao Wu

We establish a convergence theorem for a certain type of stochastic gradient descent, which leads to a convergent variant of the back-propagation algorithm

math.DS2020★ 2 cited

Kernel Embedding based Variational Approach for Low-dimensional Approximation of Dynamical Systems

Wenchong Tian, Hao Wu

Transfer operators such as Perron-Frobenius or Koopman operator play a key role in modeling and analysis of complex dynamical systems, which allow linear representations of nonline…

stat.ML2020★ 17 cited

Stochastic Normalizing Flows

Hao Wu, Jonas Köhler, Frank Noé

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stoch…

physics.comp-ph2019★ 20 cited

Deep learning Markov and Koopman models with physical constraints

Andreas Mardt, Luca Pasquali, Frank Noé +1

The long-timescale behavior of complex dynamical systems can be described by linear Markov or Koopman models in a suitable latent space. Recent variational approaches allow the lat…