24 citations · 24 across the 2 of their papers we have counts for
4 papers
Unified Guidance for Geometry-Conditioned Molecular Generation
Sirine Ayadi, Leon Hetzel, Johanna Sommer +2
Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative m…
OneProt: Towards Multi-Modal Protein Foundation Models
Klemens Flöge, Srisruthi Udayakumar, Johanna Sommer +8
Recent advances in Artificial Intelligence have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OnePro…
Neural Flows: Efficient Alternative to Neural ODEs
Marin Biloš, Johanna Sommer, Syama Sundar Rangapuram +2
Neural ordinary differential equations describe how values change in time. This is the reason why they gained importance in modeling sequential data, especially when the observatio…
Learning to Tune XGBoost with XGBoost
Johanna Sommer, Dimitrios Sarigiannis, Thomas Parnell
In this short paper we investigate whether meta-learning techniques can be used to more effectively tune the hyperparameters of machine learning models using successive halving (SH…