3 papers
stat.ML2026
From Persistence to Survival: Hypothesis Testing, Effect Sizes and Vectorisation for Topological Features
Juliette Murris, Bernadette Stolz, Karsten Borgwardt
Persistence diagrams are common representations in topological data analysis, but they do not naturally live in a vector space, and the statistical tools developed for comparing th…
cs.LG2025
Refine Drugs, Don't Complete Them: Uniform-Source Discrete Flows for Fragment-Based Drug Discovery
Benno Kaech, Luis Wyss, Karsten Borgwardt +1
We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small mol…
q-bio.PE2012
LMM-Lasso: A Lasso Multi-Marker Mixed Model for Association Mapping with Population Structure Correction
Barbara Rakitsch, Christoph Lippert, Oliver Stegle +1
Exploring the genetic basis of heritable traits remains one of the central challenges in biomedical research. In simple cases, single polymorphic loci explain a significant fractio…