Proto-Yield: An Uncertainty-Aware Prototype Network for Yield Prediction in Real-world Chemical Reactions.

@inproceedings{guo-2025-protoyield, author = {Kehan Guo and Zhen Liu and Zhichun Guo and Bozhao Nan and Olexandr Isayev and Nitesh V. Chawla and Olaf Wiest and Xiangliang Zhang}, editor = {Meeyoung Cha and Carl Yang and Senjuti Basu Roy and Chanyoung Park and Zhenhui Jessie Li and Noseong Park and Carl Yang and Senjuti Basu Roy and Zhenhui Jessie Li and Jaap Kamps and Kijung Shin and Bryan Hooi and Lifang He}, title = {{Proto-Yield: An Uncertainty-Aware Prototype Network for Yield Prediction in Real-world Chemical Reactions}}, booktitle = {{Proceedings of the 34th ACM International Conference on Information and Knowledge Management, CIKM 2025, Seoul, Republic of Korea, November 10-14, 2025}}, pages = {791--801}, publisher = {ACM}, year = {2025}, url = {https://doi.org/10.1145/3746252.3761323}, doi = {https://doi.org/10.1145/3746252.3761323} }