2 papers
cs.LG2021
A Topological-Framework to Improve Analysis of Machine Learning Model Performance
Henry Kvinge, Colby Wight, Sarah Akers +7
As both machine learning models and the datasets on which they are evaluated have grown in size and complexity, the practice of using a few summary statistics to understand model p…
q-bio.BM2016
Bayesian Model Averaging for Ensemble-Based Estimates of Solvation Free Energies
Luke J. Gosink, Christopher C. Overall, Sarah M. Reehl +3
This paper applies the Bayesian Model Averaging (BMA) statistical ensemble technique to estimate small molecule solvation free energies. There is a wide range of methods available…