Cleaning the Data: Robust Machine Learning for Molecular Simulations

A new dynamic bootstrapping method improves the accuracy and efficiency of training machine learning interatomic potentials by actively filtering out noisy data during the learning process.




![The study demonstrates substantial variation in the zero-shot performance of twenty-three object detectors across twelve datasets, revealing both dataset-dependent limitations-where detector efficacy fluctuates considerably-and inherent quality stratification among the detectors themselves, ranging from those performing significantly below chance (red) to those achieving high accuracy (green) as measured against a [latex] 50\% [/latex] random guess baseline.](https://arxiv.org/html/2602.07814v1/x1.png)


