Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules

9 February 2025

Papers citing "Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules"

5 / 5 papers shown

Title
MatterGen: a generative model for inorganic materials design Claudio Zeni Robert Pinsler Daniel Zügner Andrew Fowler Matthew Horton ... Han Yang Hongxia Hao Jielan Li Ryota Tomioka Tian Xie 52 103 0 06 Dec 2023
Scalable Diffusion for Materials Generation Mengjiao Yang KwangHwan Cho Amil Merchant Pieter Abbeel Dale Schuurmans Igor Mordatch E. D. Cubuk 59 42 0 18 Oct 2023
Learning to Extrapolate: A Transductive Approach Aviv Netanyahu Abhishek Gupta Max Simchowitz Kai Zhang Pulkit Agrawal 75 15 0 27 Apr 2023
Interpretable models for extrapolation in scientific machine learning Eric S. Muckley J. Saal B. Meredig C. Roper James H. Martin 39 35 0 16 Dec 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 237 246 0 12 Oct 2021