94 citations · 214 across the 15 of their papers we have counts for
4 papers · 1 filter
A Hierarchical Language Model For Interpretable Graph Reasoning
Sambhav Khurana, Xiner Li, Shurui Gui +1
Large language models (LLMs) are being increasingly explored for graph tasks. Despite their remarkable success in text-based tasks, LLMs' capabilities in understanding explicit gra…
Geometry Informed Tokenization of Molecules for Language Model Generation
Xiner Li, Limei Wang, Youzhi Luo +5
We consider molecule generation in 3D space using language models (LMs), which requires discrete tokenization of 3D molecular geometries. Although tokenization of molecular graphs…
Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency
Yuchao Lin, Jacob Helwig, Shurui Gui +1
We consider achieving equivariance in machine learning systems via frame averaging. Current frame averaging methods involve a costly sum over large frames or rely on sampling-based…
Active Test-Time Adaptation: Theoretical Analyses and An Algorithm
Shurui Gui, Xiner Li, Shuiwang Ji
Test-time adaptation (TTA) addresses distribution shifts for streaming test data in unsupervised settings. Currently, most TTA methods can only deal with minor shifts and rely heav…