3 papers
cs.LG2025
Post Hoc Regression Refinement via Pairwise Rankings
Kevin Tirta Wijaya, Michael Sun, Minghao Guo +3
Accurate prediction of continuous properties is essential to many scientific and engineering tasks. Although deep-learning regressors excel with abundant labels, their accuracy det…
cs.LG2025
Two-Stage Pretraining for Molecular Property Prediction in the Wild
Kevin Tirta Wijaya, Minghao Guo, Michael Sun +3
Molecular deep learning models have achieved remarkable success in property prediction, but they often require large amounts of labeled data. The challenge is that, in real-world a…
cs.LG2024
Uncertainty separation via ensemble quantile regression
Navid Ansari, Hans-Peter Seidel, Vahid Babaei
This paper introduces a novel and scalable framework for uncertainty estimation and separation with applications in data driven modeling in science and engineering tasks where reli…