Translation Between Molecules And Natural Language | Awesome LLM Papers

Translation Between Molecules And Natural Language

Carl Edwards, Tuan Lai, Kevin Ros, Garrett Honke, Kyunghyun Cho, Heng Ji Β· Proceedings of the 2022 Conference on Empirical Methods in Natural Language Processing Β· 2022

We present (\textbf{MolT5}) (-) a self-supervised learning framework for pretraining models on a vast amount of unlabeled natural language text and molecule strings. (\textbf{MolT5}) allows for new, useful, and challenging analogs of traditional vision-language tasks, such as molecule captioning and text-based de novo molecule generation (altogether: translation between molecules and language), which we explore for the first time. Since (\textbf{MolT5}) pretrains models on single-modal data, it helps overcome the chemistry domain shortcoming of data scarcity. Furthermore, we consider several metrics, including a new cross-modal embedding-based metric, to evaluate the tasks of molecule captioning and text-based molecule generation. Our results show that (\textbf{MolT5})-based models are able to generate outputs, both molecules and captions, which in many cases are high quality.

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