3 papers
stat.ME2025
Predicting data value before collection: A coefficient for prioritizing sources under random distribution shift
Ivy Zhang, Dominik Rothenhäusler
Researchers often face choices between multiple data sources that differ in quality, cost, and representativeness. Which sources will most improve predictive performance? We study…
stat.ME2024
Adaptive Forward Stepwise Regression
Ivy Zhang, Robert Tibshirani
This paper proposes a sparse regression method that continuously interpolates between Forward Stepwise selection (FS) and the LASSO. When tuned appropriately, our solutions are muc…
physics.chem-ph2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
Peter Eastman, Raimondas Galvelis, Raúl P. Peláez +22
Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use…