activity
20232025
most citedInexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction

15 citations · 24 across the 4 of their papers we have counts for

collaborators
Showing 2024Show all

1 paper · 1 filter

cs.LG2024

Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics

Zihan Pengmei, Chatipat Lorpaiboon, Spencer C. Guo +2

Identifying informative low-dimensional features that characterize dynamics in molecular simulations remains a challenge, often requiring extensive manual tuning and system-specifi…