John M. Gregoire

According to our database, John M. Gregoire authored at least 22 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Conformal Crystal Graph Transformer with Robust Encoding of Periodic Invariance.

Yingheng Wang, Shufeng Kong, John M. Gregoire, Carla P. Gomes

Proceedings of the Thirty-Eighth AAAI Conference on Artificial Intelligence, 2024

2023

Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research.

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

CoRR, 2023

Xtal2DoS: Attention-based Crystal to Sequence Learning for Density of States Prediction.

Junwen Bai, Yuanqi Du, Yingheng Wang, Shufeng Kong, John M. Gregoire, Carla Gomes

CoRR, 2023

M²Hub: 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 M. Gregoire, Carla Pedro Gomes

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

Physically Informed Graph-Based Deep Reasoning Net for Efficient Combinatorial Phase Mapping.

Yimeng Min, Ming-Chiang Chang, Shufeng Kong, John M. Gregoire, R. Bruce van Dover, Michael O. Thompson, Carla P. Gomes

Proceedings of the International Conference on Machine Learning and Applications, 2023

2021

Automating crystal-structure phase mapping by combining deep learning with constraint reasoning.

Di Chen, Yiwei Bai, Sebastian Ament, Wenting Zhao, Dan Guevarra, Lan Zhou, Bart Selman, R. Bruce van Dover, John M. Gregoire, Carla P. Gomes

Nat. Mach. Intell., 2021

Automating Crystal-Structure Phase Mapping: Combining Deep Learning with Constraint Reasoning.

Di Chen, Yiwei Bai, Sebastian Ament, Wenting Zhao, Dan Guevarra, Lan Zhou, Bart Selman, R. Bruce van Dover, John M. Gregoire, Carla P. Gomes

CoRR, 2021

Materials Representation and Transfer Learning for Multi-Property Prediction.

Shufeng Kong, Dan Guevarra, Carla P. Gomes, John M. Gregoire

CoRR, 2021

Autonomous synthesis of metastable materials.

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

CoRR, 2021

2020

Deep Reasoning Networks for Unsupervised Pattern De-mixing with Constraint Reasoning.

Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John M. Gregoire, Carla P. Gomes

Proceedings of the 37th International Conference on Machine Learning, 2020

2019

Deep Reasoning Networks: Thinking Fast and Slow.

Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John M. Gregoire, Carla P. Gomes

CoRR, 2019

Exponentially-Modified Gaussian Mixture Model: Applications in Spectroscopy.

Sebastian Ament, John M. Gregoire, Carla P. Gomes

CoRR, 2019

Computational sustainability: computing for a better world and a sustainable future.

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

Commun. ACM, 2019

Imitation Refinement for X-ray Diffraction Signal Processing.

Junwen Bai, Zihang Lai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes

Proceedings of the IEEE International Conference on Acoustics, 2019

2018

Imitation Refinement.

Junwen Bai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes

CoRR, 2018

Phase Mapper: Accelerating Materials Discovery with AI.

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

AI Mag., 2018

An Efficient Relaxed Projection Method for Constrained Non-negative Matrix Factorization with Application to the Phase-Mapping Problem in Materials Science.

Junwen Bai, Sebastian Ament, Guillaume Perez, John M. Gregoire, Carla P. Gomes

Proceedings of the Integration of Constraint Programming, Artificial Intelligence, and Operations Research, 2018

2017

Relaxation Methods for Constrained Matrix Factorization Problems: Solving the Phase Mapping Problem in Materials Discovery.

Junwen Bai, Johan Bjorck, Yexiang Xue, Santosh K. Suram, John M. Gregoire, Carla P. Gomes

Proceedings of the Integration of AI and OR Techniques in Constraint Programming, 2017

Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery.

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

Proceedings of the Thirty-First AAAI Conference on Artificial Intelligence, 2017

2015

Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery.

Stefano Ermon, Ronan Le Bras, Santosh K. Suram, John M. Gregoire, Carla P. Gomes, Bart Selman, Robert Bruce van Dover

Proceedings of the Twenty-Ninth AAAI Conference on Artificial Intelligence, 2015

2014

Challenges in Materials Discovery - Synthetic Generator and Real Datasets.

Ronan Le Bras, Richard Bernstein, John M. Gregoire, Santosh K. Suram, Carla P. Gomes, Bart Selman, R. Bruce van Dover

Proceedings of the Twenty-Eighth AAAI Conference on Artificial Intelligence, 2014

2011

Constraint Reasoning and Kernel Clustering for Pattern Decomposition with Scaling.

Ronan LeBras, Theodoros Damoulas, John M. Gregoire, Ashish Sabharwal, Carla P. Gomes, R. Bruce van Dover

Proceedings of the Principles and Practice of Constraint Programming - CP 2011, 2011