MatterGen: a generative model for inorganic materials design

no code implementations • 6 Dec 2023 • Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Sasha Shysheya, Jonathan Crabbé, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Ryota Tomioka, Tian Xie

We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset.

MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design

no code implementations • 16 Oct 2023 • Xiang Fu, Tian Xie, Andrew S. Rosen, Tommi Jaakkola, Jake Smith

Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry.

Denoising valid

What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization

1 code implementation • 12 May 2023 • Griffin Adams, Bichlien H Nguyen, Jake Smith, Yingce Xia, Shufang Xie, Anna Ostropolets, Budhaditya Deb, Yuan-Jyue Chen, Tristan Naumann, Noémie Elhadad

Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE).