dc.contributor.author |
SHARMA, ANAND |
en_US |
dc.contributor.author |
Liu, Chen |
en_US |
dc.contributor.author |
Ozawa, Misaki |
en_US |
dc.date.accessioned |
2024-11-29T04:55:25Z |
|
dc.date.available |
2024-11-29T04:55:25Z |
|
dc.date.issued |
2024-11 |
en_US |
dc.identifier.citation |
Journal of Chemical Physics, 161(18), 184506. |
en_US |
dc.identifier.issn |
1089-7690 |
en_US |
dc.identifier.issn |
0021-9606 |
en_US |
dc.identifier.uri |
https://doi.org/10.1063/5.0235084 |
en_US |
dc.identifier.uri |
http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/9201 |
|
dc.description.abstract |
We numerically investigate the identification of relevant structural features that contribute to the dynamical heterogeneity in a model glass-forming liquid. By employing the recently proposed information imbalance technique, we select these features from a range of physically motivated descriptors. This selection process is performed in a supervised manner (using both dynamical and structural data) and an unsupervised manner (using only structural data). We then apply the selected features to predict future dynamics using a machine learning technique. One of the advantages of the information imbalance technique is that it does not assume any model a priori, i.e., it is a non-parametric method. Finally, we discuss the potential applications of this approach in identifying the dominant mechanisms governing the glassy slow dynamics. |
en_US |
dc.language.iso |
en |
en_US |
dc.publisher |
AIP Publishing |
en_US |
dc.subject |
Dynamical heterogeneity |
en_US |
dc.subject |
Glass transitions |
en_US |
dc.subject |
Glassy dynamics |
en_US |
dc.subject |
Machine learning |
en_US |
dc.subject |
Viscous liquid |
en_US |
dc.subject |
Regression analysis |
en_US |
dc.subject |
2024 |
en_US |
dc.subject |
2024-NOV-WEEK3 |
en_US |
dc.subject |
TOC-NOV-2024 |
en_US |
dc.title |
Selecting relevant structural features for glassy dynamics by information imbalance |
en_US |
dc.type |
Article |
en_US |
dc.contributor.department |
Dept. of Chemistry |
en_US |
dc.identifier.sourcetitle |
Journal of Chemical Physics |
en_US |
dc.publication.originofpublisher |
Foreign |
en_US |