Quantum mechanical molecular 'fingerprints' solve machine learning mystery

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 ...

Machine learning model predicts protein binding on gold nanoclusters

Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have developed a pioneering computational ...
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New 3D benchmark leaves AI in knots

In new research that puts the latest models to test in a 3D environment, Cornell scholars found that AI fares well with ...
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Advancing scalability, efficiency, and reliability of over-parameterized machine learning models

Science X is a network of high quality websites with most complete and comprehensive daily coverage of the full sweep of science, technology, and medicine news ...