Human-steered next-generation machine learning for reviving drug design

  • Garg, Vikas (Principal investigator)
  • Bickford Smith, Freddie (Project Member)
  • Mirzaie, Nahal (Project Member)
  • Verma, Yogesh (Project Member)
  • Andrzejewski, Michal (Project Member)
  • Jain, Eeshaan (Project Member)
  • Cunha, Telmo (Project Member)
  • Laabid, Najwa (Project Member)
  • Ghaznavi, Mahdi (Project Member)
  • Soltan Mohammadi, Negar (Project Member)
  • Hemmann, Linda (Project Member)

Project Details

AcronymHEALED/Garg
StatusFinished
Effective start/end date01/09/2021 → 31/08/2025

UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This project contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being
  • SDG 13 - Climate Action

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  • 15 Conference article in proceedings
  • 1 Article
  • 1 Conference article

  • Algebraic Positional Encodings

    Kogkalidis, K., Bernardy, J.-P. & Garg, V., 2025, Advances in Neural Information Processing Systems 37 (NeurIPS 2024). Globerson, A., Mackey, L., Belgrave, D., Fan, A., Paquet, U., Tomczak, J. & Zhang, C. (eds.). Curran Associates Inc., (Advances in Neural Information Processing Systems; vol. 37).

    Research output: Chapter in Book/Report/Conference proceeding › Conference article in proceedings › Scientific › peer-review

    Open Access

  • Compositional PAC-Bayes: Generalization of GNNs with persistence and beyond

    Brilliantov, K., Garg, V. & Souza, A. H., 2025, Advances in Neural Information Processing Systems 37 (NeurIPS 2024). Globerson, A., Mackey, L., Belgrave, D., Fan, A., Paquet, U., Tomczak, J. & Zhang, C. (eds.). Curran Associates Inc., (Advances in Neural Information Processing Systems; vol. 37).

    Research output: Chapter in Book/Report/Conference proceeding › Conference article in proceedings › Scientific › peer-review

    Open Access

  • Diffusion Models as Cartoonists: The Curious Case of High Density Regions

    Karczewski, R., Heinonen, M. & Garg, V., 2025, 13th International Conference on Learning Representations, ICLR 2025. Curran Associates Inc., p. 74332-74365 34 p.

    Research output: Chapter in Book/Report/Conference proceeding › Conference article in proceedings › Scientific › peer-review

    Open Access
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    1 Citation (Scopus)
    5 Downloads (Pure)
View all 17 research outputs