Neural scaling of deep chemical models

Massive scale, in terms of both data availability and computation, enables important breakthroughs in key application areas of deep learning such as natural language processing and computer vision. There is emerging evidence that scale may be a key ingredient in scientific deep learning, but the imp...

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Bibliographic Details
Main Authors: Frey, Nathan C, Soklaski, Ryan, Axelrod, Simon, Samsi, Siddharth, Gómez-Bombarelli, Rafael, Coley, Connor W, Gadepally, Vijay
Other Authors: Lincoln Laboratory
Format: Article
Language:English
Published: Springer Science and Business Media LLC 2025
Online Access:https://hdl.handle.net/1721.1/158195