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John M. Gregoire
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2020 – today
- 2024
- [c11]Yingheng Wang, Shufeng Kong, John M. Gregoire, Carla P. Gomes:
Conformal Crystal Graph Transformer with Robust Encoding of Periodic Invariance. AAAI 2024: 283-291 - 2023
- [c10]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: 392-399 - [c9]Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John M. Gregoire, Carla Pedro Gomes:
M2Hub: Unlocking the Potential of Machine Learning for Materials Discovery. NeurIPS 2023 - [i11]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 abs/2302.01486 (2023) - [i10]Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John M. Gregoire, Carla P. Gomes:
M2Hub: Unlocking the Potential of Machine Learning for Materials Discovery. CoRR abs/2307.05378 (2023) - [i9]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 abs/2308.07897 (2023) - 2021
- [j3]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): 812-822 (2021) - [i8]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 abs/2101.07385 (2021) - [i7]Shufeng Kong, Dan Guevarra, Carla P. Gomes, John M. Gregoire:
Materials Representation and Transfer Learning for Multi-Property Prediction. CoRR abs/2106.02225 (2021) - [i6]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 abs/2108.09523 (2021) - 2020
- [c8]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: 1500-1509
2010 – 2019
- 2019
- [j2]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): 56-65 (2019) - [c7]Junwen Bai, Zihang Lai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes:
Imitation Refinement for X-ray Diffraction Signal Processing. ICASSP 2019: 3337-3341 - [i5]Sebastian Ament, John M. Gregoire, Carla P. Gomes:
Exponentially-Modified Gaussian Mixture Model: Applications in Spectroscopy. CoRR abs/1902.05601 (2019) - [i4]Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John M. Gregoire, Carla P. Gomes:
Deep Reasoning Networks: Thinking Fast and Slow. CoRR abs/1906.00855 (2019) - 2018
- [j1]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): 15-26 (2018) - [c6]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: 52-62 - [i3]Junwen Bai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes:
Imitation Refinement. CoRR abs/1805.08698 (2018) - 2017
- [c5]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: 4635-4643 - [c4]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: 104-112 - 2016
- [i2]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 abs/1610.00689 (2016) - 2015
- [c3]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: 636-643 - 2014
- [c2]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: 438-443 - [i1]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 abs/1411.7441 (2014) - 2011
- [c1]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: 508-522
Coauthor Index
aka: Robert Bruce van Dover
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