PICS Colloquium

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PICS Colloquium with David Schwab: “Out-of-distribution generalization in context”

Penn Institute for Computational Science 3401 Walnut Street, 5th Floor, Philadelphia

Abstract: In-context learning (ICL) is an emergent capability of pretrained transformers that allows models to generalize to previously unseen tasks after seeing only a few examples. We investigate empirically the conditions necessary on the pretraining distribution for ICL to emerge and generalize out-of-distribution. We find that as task diversity increases, transformers undergo a transition from […]

PICS Colloquium with Omar Valsson: From Stability to Dissociation: Elucidating Unbinding Kinetics of Protein-Protein Complexes via Atomistic Simulations

Penn Institute for Computational Science 3401 Walnut Street, 5th Floor, Philadelphia

Abstract: Protein-protein interactions (PPI) are ubiquitous in biological processes. Their study has significant implications for drug discovery as PPIs are important pharmacological targets for small molecules and important in various therapeutic modalities, such as targeted protein degradation and antibodies. Therefore, understanding the stability and dissociation of protein-protein complexes is of great fundamental and practical interest. […]

PICS Colloquium: Modelling active matter on large length and time scales

Penn Institute for Computational Science 3401 Walnut Street, 5th Floor, Philadelphia

Abstract: Active matter consists of particles that do work on their environment, for example by propelling themselves through a solvent. Fluids made from many interacting self-propelled particles have become popular as models of non-equilibrium matter: they are challenging for theory and computation because heir steady states cannot be derived by minimizing a free energy, nor […]