[R] Millions of new materials discovered with deep learning

Post: https://deepmind.google/discover/blog/millions-of-new-materials-discovered-with-deep-learning/

Paper: https://www.nature.com/articles/s41586-023-06735-9

Abstract:

Novel functional materials enable fundamental breakthroughs across technological applications from clean energy to information processing. From microchips to batteries and photovoltaics, discovery of inorganic crystals has been bottlenecked by expensive trial-and-error approaches. Concurrently, deep-learning models for language, vision and biology have showcased emergent predictive capabilities with increasing data and computation. Here we show that graph networks trained at scale can reach unprecedented levels of generalization, improving the efficiency of materials discovery by an order of …

abstract applications batteries biology capabilities clean energy computation data discovery energy error functional graph information language machinelearning materials microchips networks novel predictive processing scale show vision