Language + Molecules (2024)

Abstract: Climate change, access to food and water, pandemics–the world faces an enormous number of problems in the coming decades on scales of complexity never-before-seen. To address these issues, development of scientific solutions which are scalable, flexible, and inexpensive are critical. Over the last couple years, considerable interest has arisen for applying natural language-driven solutions to these problems. Particularly, the chemistry field is posed to be substantially accelerated by language+molecule models. This tutorial is designed to provide an introduction to this area of research. It requires no knowledge outside mainstream NLP, and it will enable participants to begin exploring relevant research. By discussing cutting-edge work, we will highlight the key roles language can fill for 1) abstract, compositional control of generative models, 2) bridging different biochemical modalities, 3) planning experimental procedures, and 4) broadening access to computational approaches. Beyond this, language models have also seen considerable success when applied to proteins or molecule structures, which can be considered as ‘exotic’ languages, and computational linguistics researchers’ expertise can be highly valuable for these impactful, possibly life-saving tasks.

## outline [180 min.] applying language models to the scientific domain is becoming increasingly popular due to its potential impact for accelerating scientific discovery @xcite . beyond extracting information from scientific literature, nlp has the possibility to increase control of the scientific discovery process, which can be achieved through multimodal representations and generative language models.