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-…
Andrei Cristian Popescu, Haitz Sáez de Ocáriz Borde, Pietro Liò
Looped Transformers increase test-time computation by repeatedly applying a shared recurrent block. Learned halting objectives in looped Transformers typically use a single exit distribution both as the inference-time stopping rule and as the training-time weighting of per-depth…
Chandan Gupta, Syed Haider, Pietro Liò
DNA methylation (DNAm) serves as one of the most robust molecular biomarkers of biological aging. While conventional epigenetic clocks accurately predict chronological age from high-dimensional CpG profiles, they treat aging as a static regression task, meaning they can only outp…