activity
20162022
most citedMachine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems

230 citations · 298 across the 8 of their papers we have counts for

collaborators

9 papers

cs.CL2022

Multilingual Disinformation Detection for Digital Advertising

Zofia Trstanova, Nadir El Manouzi, Maryline Chen +2

In today's world, the presence of online disinformation and propaganda is more widespread than ever. Independent publishers are funded mostly via digital advertising, which is unfo…

physics.comp-ph2020★ 230 cited

Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems

Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani +14

Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as…

stat.ML2019★ 1 cited

Transferability of Operational Status Classification Models Among Different Wind Turbine Typesq

Z. Trstanova, A. Martinsson, C. Matthews +4

A detailed understanding of wind turbine performance status classification can improve operations and maintenance in the wind energy industry. Due to different engineering properti…

math.ST2019

TATi-Thermodynamic Analytics ToolkIt: TensorFlow-based software for posterior sampling in machine learning applications

Frederik Heber, Zofia Trstanova, Benedict Leimkuhler

With the advent of GPU-assisted hardware and maturing high-efficiency software platforms such as TensorFlow and PyTorch, Bayesian posterior sampling for neural networks becomes pla…

physics.data-an2019★ 30 cited

Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems

Zofia Trstanova, Ben Leimkuhler, Tony Lelièvre

Diffusion maps approximate the generator of Langevin dynamics from simulation data. They afford a means of identifying the slowly-evolving principal modes of high-dimensional molec…

math.DS2017

Diffusion maps tailored to arbitrary non-degenerate Ito processes

Ralf Banisch, Zofia Trstanova, Andreas Bittracher +2

We present two generalizations of the popular diffusion maps algorithm. The first generalization replaces the drift term in diffusion maps, which is the gradient of the sampling de…

cond-mat.stat-mech2016★ 14 cited

Langevin dynamics with general kinetic energies

Gabriel Stoltz, Zofia Trstanova

We study Langevin dynamics with a kinetic energy different from the standard, quadratic one in order to accelerate the sampling of Boltzmann-Gibbs distributions. In particular, thi…

cond-mat.stat-mech2016★ 6 cited

Estimating the speed-up of Adaptively Restrained Langevin Dynamics

Zofia Trstanova, Stephane Redon

We consider Adaptively Restrained Langevin dynamics, in which the kinetic energy function vanishes for small velocities. Properly parameterized, this dynamics makes it possible to…

cond-mat.stat-mech2016★ 17 cited

Error Analysis of Modified Langevin Dynamics

Stephane Redon, Gabriel Stoltz, Zofia Trstanova

We consider Langevin dynamics associated with a modified kinetic energy vanishing for small momenta. This allows us to freeze slow particles, and hence avoid the re-computation of…