3 papers
cs.DC2026
Unstructured Hydrodynamics on Spatial Dataflow Architectures: A Joint Code and Data Decomposition Approach
Piotr Luczynski, Tal Ben-Nun, Leighton Wilson +1
Spatial Dataflow Architectures are an emerging hardware pattern in high-performance computing, whose mesh-connected fixed-memory processing elements are tailored for structured gri…
physics.chem-ph2025
The Open Polymers 2026 (OPoly26) Dataset and Evaluations
Daniel S. Levine, Nicholas Liesen, Lauren Chua +12
Polymers-macromolecular systems composed of repeating chemical units-constitute the molecular foundation of living organisms, while their synthetic counterparts drive transformativ…
cs.LG2025
BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
Evan R. Antoniuk, Shehtab Zaman, Tal Ben-Nun +9
Data-driven molecular discovery leverages artificial intelligence/machine learning (AI/ML) and generative modeling to filter and design novel molecules. Discovering novel molecules…