2 papers
cs.LG2026
Modular Multi-Task Learning for Chemical Reaction Prediction
Jiayun Pang, Ahmed M. Zaitoun, Xacobe Couso Cambeiro +1
Adapting large language models (LLMs) trained on broad organic chemistry to smaller, domain-specific reaction datasets is a key challenge in chemical and pharmaceutical R&D. Effect…
cs.CL2024
Specialising and Analysing Instruction-Tuned and Byte-Level Language Models for Organic Reaction Prediction
Jiayun Pang, Ivan Vulić
Transformer-based encoder-decoder models have demonstrated impressive results in chemical reaction prediction tasks. However, these models typically rely on pretraining using tens…