2 papers
cs.LG2026
What Does a Chemical Language Model Know About Molecules?
Christian Kenneth, Etowah Adams, Liam Bai +1
Chemical language models (cLMs) are widely assumed to learn surface-level syntactic patterns rather than learning meaningful molecular semantics. Here, we apply sparse autoencoders…
cs.LG2026
Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration
Alan Kai Hassen, Andrius Bernatavicius, Antonius P. A. Janssen +3
Applications of machine learning in chemistry are often limited by the scarcity and expense of labeled data, restricting traditional supervised methods. In this work, we introduce…