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20212023
most citedMulti-Objective Latent Space Optimization of Generative Molecular Design Models

31 citations · 64 across the 7 of their papers we have counts for

collaborators

7 papers

cs.CL2023★ 8 cited

Comparative Performance Evaluation of Large Language Models for Extracting Molecular Interactions and Pathway Knowledge

Gilchan Park, Byung-Jun Yoon, Xihaier Luo +3

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms under…

q-bio.GN2023

Comprehensive analysis of gene expression profiles to radiation exposure reveals molecular signatures of low-dose radiation response

Xihaier Luo, Sean McCorkle, Gilchan Park +6

There are various sources of ionizing radiation exposure, where medical exposure for radiation therapy or diagnosis is the most common human-made source. Understanding how gene exp…

cs.LG2023★ 15 cited

A Rigorous Uncertainty-Aware Quantification Framework Is Essential for Reproducible and Replicable Machine Learning Workflows

Line Pouchard, Kristofer G. Reyes, Francis J. Alexander +1

The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is…

cs.LG2022★ 31 cited

Multi-Objective Latent Space Optimization of Generative Molecular Design Models

A N M Nafiz Abeer, Nathan Urban, M Ryan Weil +2

Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimen…

stat.ME2021

Adaptive Group Testing with Mismatched Models

Mingzhou Fan, Byung-Jun Yoon, Francis J. Alexander +2

Accurate detection of infected individuals is one of the critical steps in stopping any pandemic. When the underlying infection rate of the disease is low, testing people in groups…

stat.ML2021★ 7 cited

Robust Importance Sampling for Error Estimation in the Context of Optimal Bayesian Transfer Learning

Omar Maddouri, Xiaoning Qian, Francis J. Alexander +2

Classification has been a major task for building intelligent systems as it enables decision-making under uncertainty. Classifier design aims at building models from training data…

math.OC2021★ 3 cited

Optimal Decision Making in High-Throughput Virtual Screening Pipelines

Hyun-Myung Woo, Xiaoning Qian, Li Tan +4

The need for efficient computational screening of molecular candidates that possess desired properties frequently arises in various scientific and engineering problems, including d…