16 citations · 24 across the 9 of their papers we have counts for
5 papers · 1 filter
NMR Elucidation as an Agentic Search Problem, Not a Modeling Problem
Irina Espejo Morales, Damon Hinz, Marvin Alberts +3
Structural elucidation from Nuclear Magnetic Resonance (NMR) data remains a fundamental bottleneck across chemistry, materials science, and biology. We demonstrate that an agentic…
Predicting partially observable dynamical systems via diffusion models with a multiscale inference scheme
Rudy Morel, Francesco Pio Ramunno, Jeff Shen +18
Conditional diffusion models provide a natural framework for probabilistic prediction of dynamical systems and have been successfully applied to fluid dynamics and weather predicti…
Walrus: A Cross-Domain Foundation Model for Continuum Dynamics
Michael McCabe, Payel Mukhopadhyay, Tanya Marwah +22
Foundation models have transformed machine learning for language and vision, but achieving comparable impact in physical simulation remains a challenge. Data heterogeneity and unst…
Contextual Counting: A Mechanistic Study of Transformers on a Quantitative Task
Siavash Golkar, Alberto Bietti, Mariel Pettee +12
Transformers have revolutionized machine learning across diverse domains, yet understanding their behavior remains crucial, particularly in high-stakes applications. This paper int…
Multiple Physics Pretraining for Physical Surrogate Models
Michael McCabe, Bruno Régaldo-Saint Blancard, Liam Holden Parker +11
We introduce multiple physics pretraining (MPP), an autoregressive task-agnostic pretraining approach for physical surrogate modeling of spatiotemporal systems with transformers. I…