3 papers indexed
Yiming Qin, Kai Yi, Miruna Cretu, Sjors H. W. Scheres, Pietro Liò, Pascal Frossard
Designing small molecule ligands that bind with high affinity to specific protein pockets is a fundamental goal in drug discovery, as small molecules constitute a major fraction of approved therapeutics. Recent breakthroughs in structure prediction, such as AlphaFold-3 and Boltz-…
Sergio Rozada, Yiming Qin, Manuel Madeira, Pascal Frossard, Alejandro Ribeiro
Diffusion models represent a leading paradigm for graph generation, with notable impact in domains such as molecular design. Yet, scaling these models to large graphs remains an open problem. We approach this question in the dense-graph setting through the lens of graphons, the s…
Gbègninougbo Aurel Davy Tchokponhoue, Sevda Öğüt, Ali Idri, Dorina Thanou, Pascal Frossard
Pathology foundation models (PFMs) offer generalizable representations for whole-slide image (WSI) analysis, yet their clinical adoption remains limited. Specifically, their predictions lack reliable confidence estimates, and no single PFM is universally best across tasks, which…