The title of the press release is misleading, there was no non-trivial machine learning/AI involved. "Computers Create Recipe for" translates to: the researcher

The title of the press release is misleading, there was no non-trivial machine learning/AI involved. "Computers Create Recipe for" translates to: the researchers picked a class of materials, ran DFT simulations (the usual way to simulate this sort of thing) for all combinations of elements in that class and fabricated the ones that were predicted to have interesting properties. The regression mentioned in the press release was only used to predict one property (the Curie temperature) of the materials based on experimental data for similar materials. It's still a really impressive piece of work, just nothing to do with AI. The paper is open access, so you can read the full text here: http://advances.sciencemag.org/content/3/4/e1602241.full http://advances.sciencemag.org/content/3/4/e1602241.full