Gregoire, John

3 publications

NeurIPS 2023 M$^2$Hub: Unlocking the Potential of Machine Learning for Materials Discovery Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John Gregoire, Carla P. Gomes

NeurIPSW 2022 Xtal2DoS: Attention-Based Crystal to Sequence Learning for Density of States Prediction Junwen Bai, Yuanqi Du, Yingheng Wang, Shufeng Kong, John Gregoire, Carla P Gomes

ICML 2020 Deep Reasoning Networks for Unsupervised Pattern De-Mixing with Constraint Reasoning Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John Gregoire, Carla Gomes