activity
20192026
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cs.LG2026

Few-Shot Bioactivity Prediction with Meta-Learning under Assay Heterogeneity

Michal Kmicikiewicz, Tommy Rochussen, Vincent Fortuin +1

Accurate bioactivity prediction is a central challenge in early-stage drug discovery, as individual assays often contain too few measurements to train reliable models independently…

cs.LG2025

ProSpero: Active Learning for Robust Protein Design Beyond Wild-Type Neighborhoods

Michal Kmicikiewicz, Vincent Fortuin, Ewa Szczurek

Designing protein sequences of both high fitness and novelty is a challenging task in data-efficient protein engineering. Exploration beyond wild-type neighborhoods often leads to…

cs.LG2025

Can Transformers Learn Full Bayesian Inference in Context?

Arik Reuter, Tim G. J. Rudner, Vincent Fortuin +1

Transformers have emerged as the dominant architecture in the field of deep learning, with a broad range of applications and remarkable in-context learning (ICL) capabilities. Whil…

cs.LG2024

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…

cs.LG2019

Mixture-of-Experts Variational Autoencoder for Clustering and Generating from Similarity-Based Representations on Single Cell Data

Andreas Kopf, Vincent Fortuin, Vignesh Ram Somnath +1

Clustering high-dimensional data, such as images or biological measurements, is a long-standingproblem and has been studied extensively. Recently, Deep Clustering has gained popula…