John M. Gregoire

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 21

Top Topics

Materials Science

Illumination Invariance

High Throughput

Constraint Reasoning

Top Venues

Publications

Yingheng Wang, Shufeng Kong, John M. Gregoire, Carla P. Gomes
Conformal Crystal Graph Transformer with Robust Encoding of Periodic Invariance. AAAI (2024)
Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John M. Gregoire, Carla P. Gomes
Hub: Unlocking the Potential of Machine Learning for Materials Discovery. CoRR (2023)
Junwen Bai, Yuanqi Du, Yingheng Wang, Shufeng Kong, John M. Gregoire, Carla Gomes
Xtal2DoS: Attention-based Crystal to Sequence Learning for Density of States Prediction. CoRR (2023)
Yimeng Min, Ming-Chiang Chang, Shufeng Kong, John M. Gregoire, R. Bruce van Dover, Michael O. Thompson, Carla P. Gomes
Physically Informed Graph-Based Deep Reasoning Net for Efficient Combinatorial Phase Mapping. ICMLA (2023)
Ming-Chiang Chang, Sebastian Ament, Maximilian Amsler, Duncan R. Sutherland, Lan Zhou, John M. Gregoire, Carla P. Gomes, R. Bruce van Dover, Michael O. Thompson
Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research. CoRR (2023)
Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John M. Gregoire, Carla Pedro Gomes
Hub: Unlocking the Potential of Machine Learning for Materials Discovery. NeurIPS (2023)
Sebastian Ament, Maximilian Amsler, Duncan R. Sutherland, Ming-Chiang Chang, Dan Guevarra, Aine B. Connolly, John M. Gregoire, Michael O. Thompson, Carla P. Gomes, R. Bruce van Dover
Autonomous synthesis of metastable materials. CoRR (2021)
Di Chen, Yiwei Bai, Sebastian Ament, Wenting Zhao, Dan Guevarra, Lan Zhou, Bart Selman, R. Bruce van Dover, John M. Gregoire, Carla P. Gomes
Automating crystal-structure phase mapping by combining deep learning with constraint reasoning. Nat. Mach. Intell. 3 (9) (2021)
Shufeng Kong, Dan Guevarra, Carla P. Gomes, John M. Gregoire
Materials Representation and Transfer Learning for Multi-Property Prediction. CoRR (2021)
Di Chen, Yiwei Bai, Sebastian Ament, Wenting Zhao, Dan Guevarra, Lan Zhou, Bart Selman, R. Bruce van Dover, John M. Gregoire, Carla P. Gomes
Automating Crystal-Structure Phase Mapping: Combining Deep Learning with Constraint Reasoning. CoRR (2021)
Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John M. Gregoire, Carla P. Gomes
Deep Reasoning Networks for Unsupervised Pattern De-mixing with Constraint Reasoning. ICML (2020)
Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John M. Gregoire, Carla P. Gomes
Deep Reasoning Networks: Thinking Fast and Slow. CoRR (2019)
Carla P. Gomes, Thomas G. Dietterich, Christopher Barrett, Jon Conrad, Bistra Dilkina, Stefano Ermon, Fei Fang, Andrew Farnsworth, Alan Fern, Xiaoli Z. Fern, Daniel Fink, Douglas H. Fisher, Alexander Flecker, Daniel Freund, Angela Fuller, John M. Gregoire, John E. Hopcroft, Steve Kelling, J. Zico Kolter, Warren B. Powell, Nicole D. Sintov, John S. Selker, Bart Selman, Daniel Sheldon, David B. Shmoys, Milind Tambe, Weng-Keen Wong, Christopher Wood, Xiaojian Wu, Yexiang Xue, Amulya Yadav, Abdul-Aziz Yakubu, Mary Lou Zeeman
Computational sustainability: computing for a better world and a sustainable future. Commun. ACM 62 (9) (2019)
Junwen Bai, Zihang Lai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes
Imitation Refinement for X-ray Diffraction Signal Processing. ICASSP (2019)
Sebastian Ament, John M. Gregoire, Carla P. Gomes
Exponentially-Modified Gaussian Mixture Model: Applications in Spectroscopy. CoRR (2019)
Junwen Bai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes
Imitation Refinement. CoRR (2018)
Junwen Bai, Sebastian Ament, Guillaume Perez, John M. Gregoire, Carla P. Gomes
An Efficient Relaxed Projection Method for Constrained Non-negative Matrix Factorization with Application to the Phase-Mapping Problem in Materials Science. CPAIOR (2018)
Junwen Bai, Yexiang Xue, Johan Bjorck, Ronan Le Bras, Brendan Rappazzo, Richard Bernstein, Santosh K. Suram, Robert Bruce van Dover, John M. Gregoire, Carla P. Gomes
Phase Mapper: Accelerating Materials Discovery with AI. AI Mag. 39 (1) (2018)
Yexiang Xue, Junwen Bai, Ronan Le Bras, Brendan Rappazzo, Richard Bernstein, Johan Bjorck, Liane Longpre, Santosh K. Suram, Robert Bruce van Dover, John M. Gregoire, Carla P. Gomes
Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery. AAAI (2017)
Junwen Bai, Johan Bjorck, Yexiang Xue, Santosh K. Suram, John M. Gregoire, Carla P. Gomes
Relaxation Methods for Constrained Matrix Factorization Problems: Solving the Phase Mapping Problem in Materials Discovery. CPAIOR (2017)
Yexiang Xue, Junwen Bai, Ronan Le Bras, Brendan Rappazzo, Richard Bernstein, Johan Bjorck, Liane Longpre, Santosh K. Suram, Robert Bruce van Dover, John M. Gregoire, Carla P. Gomes
Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery. CoRR (2016)
Stefano Ermon, Ronan Le Bras, Santosh K. Suram, John M. Gregoire, Carla P. Gomes, Bart Selman, Robert Bruce van Dover
Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery. AAAI (2015)
Stefano Ermon, Ronan Le Bras, Santosh K. Suram, John M. Gregoire, Carla P. Gomes, Bart Selman, Robert Bruce van Dover
Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery. CoRR (2014)
Ronan Le Bras, Richard Bernstein, John M. Gregoire, Santosh K. Suram, Carla P. Gomes, Bart Selman, R. Bruce van Dover
Challenges in Materials Discovery - Synthetic Generator and Real Datasets. AAAI (2014)
Ronan LeBras, Theodoros Damoulas, John M. Gregoire, Ashish Sabharwal, Carla P. Gomes, R. Bruce van Dover
Constraint Reasoning and Kernel Clustering for Pattern Decomposition with Scaling. CP (2011)