publications

2026

1. Under Review

   Variational Low-Rank Adaptation for Uncertainty Quantification in Molecular Property Prediction

   I Shavindra Jayasekera, Jochen Sieg, Miriam Mathea, and Yingzhen Li

   2026

   Bib

   @article{jayasekera2025varlora,
     title = {Variational Low-Rank Adaptation for Uncertainty Quantification in Molecular Property Prediction},
     author = {Jayasekera, I Shavindra and Sieg, Jochen and Mathea, Miriam and Li, Yingzhen},
     year = {2026},
   }

2025

1. NeurIPS

   Variational Uncertainty Decomposition for In-Context Learning

   I Shavindra Jayasekera^*, Jacob Si^*, Filippo Valdettaro, Wenlong Chen, 1 more author , and Yingzhen Li

   In Advances in Neural Information Processing Systems (NeurIPS), 2025

   arXiv Bib

   @inproceedings{jayasekera2025variational,
     title = {Variational Uncertainty Decomposition for In-Context Learning},
     author = {Jayasekera, I Shavindra and Si, Jacob and Valdettaro, Filippo and Chen, Wenlong and Faisal, A Aldo and Li, Yingzhen},
     booktitle = {Advances in Neural Information Processing Systems (NeurIPS)},
     year = {2025},
   }

2. Chem. Soc. Rev.

   Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry

   Austin M Mroz, Annabel R Basford, Friedrich Hastedt, I Shavindra Jayasekera, 14 more authors , and Kim E Jelfs

   Chemical Society Reviews, 2025

   Bib

   @article{mroz2025cross,
     title = {Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry},
     author = {Mroz, Austin M and Basford, Annabel R and Hastedt, Friedrich and Jayasekera, I Shavindra and Mosquera-Lois, Irea and Sedgwick, Ruby and Ballester, Pedro J and Bocarsly, Joshua D and del R{\'\i}o Chanona, Ehecatl Antonio and Evans, Matthew L and Frost, Jarvist M and Ganose, Alex M and Greenaway, Rebecca L and Hii, King Kuok (Mimi) and Li, Yingzhen and Misener, Ruth and Walsh, Aron and Zhang, Dandan and Jelfs, Kim E},
     journal = {Chemical Society Reviews},
     year = {2025},
     publisher = {Royal Society of Chemistry},
   }