activity
20182026
most citedMolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction

678 citations · 2.5k across the 19 of their papers we have counts for

collaborators
Showing cs.LGShow all

9 papers · 1 filter

cs.LG2023

Enabling tabular deep learning when with an auxiliary knowledge graph

Camilo Ruiz, Hongyu Ren, Kexin Huang +1

Machine learning models exhibit strong performance on datasets with abundant labeled samples. However, for tabular datasets with extremely high -dimensional features but limited…

cs.LG2023★ 13 cited

Uncertainty Quantification over Graph with Conformalized Graph Neural Networks

Kexin Huang, Ying Jin, Emmanuel Candès +1

Graph Neural Networks (GNNs) are powerful machine learning prediction models on graph-structured data. However, GNNs lack rigorous uncertainty estimates, limiting their reliable de…

cs.LG2021★ 295 cited

Graph Representation Learning in Biomedicine

Michelle M. Li, Kexin Huang, Marinka Zitnik

Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scient…

cs.LG2021★ 163 cited

Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development

Kexin Huang, Tianfan Fu, Wenhao Gao +7

Therapeutics machine learning is an emerging field with incredible opportunities for innovatiaon and impact. However, advancement in this field requires formulation of meaningful l…

cs.LG2020★ 193 cited

SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summarization

Yue Yu, Kexin Huang, Chao Zhang +3

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning…

cs.LG2020★ 11 cited

Graph Meta Learning via Local Subgraphs

Kexin Huang, Marinka Zitnik

Prevailing methods for graphs require abundant label and edge information for learning. When data for a new task are scarce, meta-learning can learn from prior experiences and form…

cs.LG2020★ 508 cited

DeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction

Kexin Huang, Tianfan Fu, Lucas Glass +3

Accurate prediction of drug-target interactions (DTI) is crucial for drug discovery. Recently, deep learning (DL) models for show promising performance for DTI prediction. However,…

cs.LG2019★ 13 cited

CASTER: Predicting Drug Interactions with Chemical Substructure Representation

Kexin Huang, Cao Xiao, Trong Nghia Hoang +2

Adverse drug-drug interactions (DDIs) remain a leading cause of morbidity and mortality. Identifying potential DDIs during the drug design process is critical for patients and soci…

cs.LG2018

EpiRL: A Reinforcement Learning Agent to Facilitate Epistasis Detection

Kexin Huang, Rodrigo Nogueira

Epistasis (gene-gene interaction) is crucial to predicting genetic disease. Our work tackles the computational challenges faced by previous works in epistasis detection by modeling…