Slow dynamical modes from static averages

In recent times, efforts have been made to describe the evolution of a complex system not through long trajectories but via the study of probability distribution evolution. This more collective approach can be made practical using the transfer operator formalism and its associated dynamics generator. Here, we reformulate in a more transparent way the result of Devergne et al. [Adv. Neural Inform. Process. Syst. 37, 75495-75521 (2024)] and show that the lowest eigenfunctions and eigenvalues of the dynamics generator can be efficiently computed using data easily obtainable from biased simulations. We also show explicitly that the long time dynamics can be reconstructed by using the spectral decomposition of the dynamics operator.

Authors

Institutions

Publication Details

Journal
The Journal of Chemical Physics
Published
2025-03-25
DOI
https://doi.org/10.1063/5.0246248
Citations
4
Primary Topic
Neural dynamics and brain function
Type
article
Field-Weighted Citation Impact
5.72
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Slow dynamical modes from static averages

Timothée Devergne, Michele Parrinello, Massimiliano Pontil, Vladimir Kostić
4 citations
The Journal of Chemical Physics
Neural dynamics and brain function
5.72
article

Slow dynamical modes from static averages

Timothée Devergne, Michele Parrinello, Massimiliano Pontil, Vladimir Kostić
article en
4 citations

Abstract

In recent times, efforts have been made to describe the evolution of a complex system not through long trajectories but via the study of probability distribution evolution. This more collective approach can be made practical using the transfer operator formalism and its associated dynamics generator. Here, we reformulate in a more transparent way the result of Devergne et al. [Adv. Neural Inform. Process. Syst. 37, 75495-75521 (2024)] and show that the lowest eigenfunctions and eigenvalues of the dynamics generator can be efficiently computed using data easily obtainable from biased simulations. We also show explicitly that the long time dynamics can be reconstructed by using the spectral decomposition of the dynamics operator.

The Journal of Chemical PhysicsVol. 162(12)
University of Novi Sad (RS), Italian Institute of Technology (IT), UCL Biomedical Research Centre (GB), University College London (GB)
Openalex Percentile: Top 4%
Neural dynamics and brain function
5.72
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.