Automated Molecular Concept Generation and Labeling with Large Language
Models

Automated Molecular Concept Generation and Labeling with Large Language Models

13 June 2024

Ziniu Hu

Yizhou Sun

Papers citing "Automated Molecular Concept Generation and Labeling with Large Language Models"

6 / 6 papers shown

Title
Causal Proxy Models for Concept-Based Model Explanations Zhengxuan Wu Karel DÓosterlinck Atticus Geiger Amir Zur Christopher Potts MILM 71 35 0 28 Sep 2022
Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks Zhaoning Yu Hongyang Gao 21 38 0 01 Feb 2022
Explainability in Graph Neural Networks: A Taxonomic Survey Hao Yuan Haiyang Yu Shurui Gui Shuiwang Ji 162 590 0 31 Dec 2020
On Completeness-aware Concept-Based Explanations in Deep Neural Networks Chih-Kuan Yeh Been Kim Sercan Ö. Arik Chun-Liang Li Tomas Pfister Pradeep Ravikumar FAtt 120 297 0 17 Oct 2019
Language Models as Knowledge Bases? Fabio Petroni Tim Rocktaschel Patrick Lewis A. Bakhtin Yuxiang Wu Alexander H. Miller Sebastian Riedel KELM AI4MH 406 2,584 0 03 Sep 2019
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 162 1,775 0 02 Mar 2017