There is more than one way to describe a water molecule, especially when communicating with a machine learning (ML) model, says chemist Robert DiStasio. You can feed the algorithm the molecule's ...

In a study published in Frontiers in Science, scientists from Purdue University and the Georgia Institute of Technology ...

Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have developed a pioneering computational ...

When scientists test algorithms that sort or classify data, they often turn to a trusted tool called Normalized Mutual Information (or NMI) to measure how well an algorithm's output matches reality.