Machine learning is transforming many scientific fields, including computational materials science. For about two decades, ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...

After uncovering a unifying algorithm that links more than 20 common machine-learning approaches, researchers organized them into a 'periodic table of machine learning' that can help scientists ...

Random forest (RF) analysis identified the weighted value of each independent variable (N = 43) integrated into the ML algorithm. Pearson and Spearman coefficients indicated that the ML-predicted ...

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 ...

20+ Machine Learning Methods in Groundbreaking Periodic Table From MIT, Google, Microsoft Your email has been sent A new “periodic table for machine learning” is reshaping how researchers explore AI, ...

In a recent study published in Scientific Reports, researchers developed a machine learning-based heart disease prediction model (ML-HDPM) that uses various combinations of information and numerous ...