7 papers
Zatom-1: Towards a Multimodal Foundation Model for 3D Molecules and Materials
Alex Morehead, Miruna Cretu, Antonia Panescu +14
General-purpose 3D modeling in chemistry encompasses molecules and materials, requiring both generative and predictive capabilities. However, most existing AI approaches are optimi…
Yeti: A compact protein structure tokenizer for reconstruction and multi-modal generation
Nabin Giri, Steven Farrell, Kristofer E. Bouchard
Multimodal models that jointly reason over protein sequences, structures, and function annotations within a unified representation hold immense potential for integrating multimodal…
FAIR Universe Weak Lensing ML Uncertainty Challenge: Handling Uncertainties and Distribution Shifts for Precision Cosmology
Biwei Dai, Po-Wen Chang, Wahid Bhimji +15
Weak gravitational lensing, the correlated distortion of background galaxy shapes by foreground structures, is a powerful probe of the matter distribution in our universe and allow…
Fair Universe Higgs Uncertainty Challenge
Ragansu Chakkappai, Wahid Bhimji, Paolo Calafiura +16
This competition in high-energy physics (HEP) and machine learning was the first to strongly emphasise uncertainties in cross-section measurement. Parti…
FAIR Universe HiggsML Uncertainty Dataset and Competition
Lisa Benato, Wahid Bhimji, Paolo Calafiura +26
The FAIR Universe HiggsML Uncertainty Challenge focused on measuring the physical properties of elementary particles with imperfect simulators. Participants were required to comput…
Understanding the Landscape of Ampere GPU Memory Errors
Zhu Zhu, Yu Sun, Dhatri Parakal +9
Graphics Processing Units (GPUs) have become a de facto solution for accelerating high-performance computing (HPC) applications. Understanding their memory error behavior is an ess…