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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.LG2026
Decision-Aligned Evaluation of Uncertainty Quantification
Annika Schneider, Tommy Rochussen, Joshua Stiller +1
Uncertainty estimates in machine learning are typically evaluated using generic metrics such as the negative log-likelihood and expected calibration error, yet good performance on…
cs.LG2026
Incremental Transformer Neural Processes
Philip Mortimer, Cristiana Diaconu, Tommy Rochussen +2
Neural Processes (NPs), and specifically Transformer Neural Processes (TNPs), have demonstrated remarkable performance across tasks ranging from spatiotemporal forecasting to tabul…