LATIDIA · Investigación

Dar a la IA una visión "cristalina" del mundo de los materiales

Una nueva investigación puede ayudar a los modelos de IA a comprender los materiales cristalinos en 3D y razonar sobre sus propiedades.

La noticia

In principle, artificial intelligence could make finding the right material for an application as simple as ordering dinner: Scientists would tell a large language model what they want, and it would serve them a perfectly designed crystal for the job. Unfortunately, that approach doesn’t work well yet, and the problem comes down to data: Most materials consist of crystals, which are 3D periodic arrangements of atoms whose structures are stored in specialized formats, not the text streams that today’s large language models are trained on. The experimental literature is also heavily biased toward a few popular classes of crystals, making AI outputs skew toward those materials. Now MIT researchers have