31 citations · 61 across the 5 of their papers we have counts for
6 papers
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…
Neural Message Passing for Objective-Based Uncertainty Quantification and Optimal Experimental Design
Qihua Chen, Xuejin Chen, Hyun-Myung Woo +1
Various real-world scientific applications involve the mathematical modeling of complex uncertain systems with numerous unknown parameters. Accurate parameter estimation is often p…
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…
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…
Accelerating Optimal Experimental Design for Robust Synchronization of Uncertain Kuramoto Oscillator Model Using Machine Learning
Hyun-Myung Woo, Youngjoon Hong, Bongsuk Kwon +1
Recent advances in objective-based uncertainty quantification (objective-UQ) have shown that such a goal-driven approach for quantifying model uncertainty is extremely useful in re…
Autism spectrum disorder: a neuro-immunometabolic hypothesis of the developmental origins
Martin G. Frasch, Byung-Jun Yoon, Dario-Lucas Helbing +3
Fetal neuroinflammation and prenatal stress (PS) may contribute to lifelong neurological disabilities. Astrocytes and microglia, among the brain's non-neuronal glia cell population…