678 citations · 2.6k across the 71 of their papers we have counts for
7 papers · 1 filter
Reinforced Genetic Algorithm for Structure-based Drug Design
Tianfan Fu, Wenhao Gao, Connor W. Coley +1
Structure-based drug design (SBDD) aims to discover drug candidates by finding molecules (ligands) that bind tightly to a disease-related protein (targets), which is the primary ap…
Conformal Prediction with Temporal Quantile Adjustments
Zhen Lin, Shubhendu Trivedi, Jimeng Sun
We develop Temporal Quantile Adjustment (TQA), a general method to construct efficient and valid prediction intervals (PIs) for regression on cross-sectional time series data. Such…
GOCPT: Generalized Online Canonical Polyadic Tensor Factorization and Completion
Chaoqi Yang, Cheng Qian, Jimeng Sun
Low-rank tensor factorization or completion is well-studied and applied in various online settings, such as online tensor factorization (where the temporal mode grows) and online t…
Clinical trial site matching with improved diversity using fair policy learning
Rakshith S Srinivasa, Cheng Qian, Brandon Theodorou +4
The ongoing pandemic has highlighted the importance of reliable and efficient clinical trials in healthcare. Trial sites, where the trials are conducted, are chosen mainly based on…
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
Yuanqi Du, Tianfan Fu, Jimeng Sun +1
Molecule design is a fundamental problem in molecular science and has critical applications in a variety of areas, such as drug discovery, material science, etc. However, due to th…
PopNet: Real-Time Population-Level Disease Prediction with Data Latency
Junyi Gao, Cao Xiao, Lucas M. Glass +1
Population-level disease prediction estimates the number of potential patients of particular diseases in some location at a future time based on (frequently updated) historical dis…
JULIA: Joint Multi-linear and Nonlinear Identification for Tensor Completion
Cheng Qian, Kejun Huang, Lucas Glass +2
Tensor completion aims at imputing missing entries from a partially observed tensor. Existing tensor completion methods often assume either multi-linear or nonlinear relationships…