Chemical Physics · Physics
Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery
Aditya Nandy, Chenru Duan, Heather J. Kulik
2021-11-04
Materials Science · Physics
Machine Learning for Novel Thermal-Materials Discovery: Early Successes, Opportunities, and Challenges
Hang Zhang, Kedar Hippalgaonkar, Tonio Buonassisi, Ole M. Løvvik +2
2019-06-17
Materials Science · Physics
The quest for new materials: the network theory and machine learning perspectives
Jacopo Moi, Davide Spallarossa, Stefano Bonetti, Raffaella Burioni +1
2025-02-14
Machine Learning · Computer Science
Multi-Task Multi-Fidelity Learning of Properties for Energetic Materials
Robert J. Appleton, Daniel Klinger, Brian H. Lee, Michael Taylor +5
2024-08-28
Materials Science · Physics
Machine Learning in Materials Modeling -- Fundamentals and the Opportunities in 2D Materials
Shreeja Das, Hansraj Pegu, Kisor Sahu, Ameeya Kumar Nayak +3
2020-01-15
Materials Science · Physics
Representations of Materials for Machine Learning
James Damewood, Jessica Karaguesian, Jaclyn R. Lunger, Aik Rui Tan +3
2023-01-24
Materials Science · Physics
Advances of Machine Learning in Materials Science: Ideas and Techniques
Sue Sin Chong, Yi Sheng Ng, Hui-Qiong Wang, Jin-Cheng Zheng
2023-09-27
Materials Science · Physics
Topogivity: A Machine-Learned Chemical Rule for Discovering Topological Materials
Andrew Ma, Yang Zhang, Thomas Christensen, Hoi Chun Po +3
2023-02-14
Data Analysis, Statistics and Probability · Physics
Big Data of Materials Science - Critical Role of the Descriptor
Luca M. Ghiringhelli, Jan Vybiral, Sergey V. Levchenko, Claudia Draxl +1
2015-03-13
Materials Science · Physics
Machine-learned metrics for predicting the likelihood of success in materials discovery
Yoolhee Kim, Edward Kim, Erin Antono, Bryce Meredig +1
2019-11-28
Superconductivity · Physics
Towards high-throughput superconductor discovery via machine learning
Stephen R. Xie, Y. Quan, Ajinkya Hire, Laura Fanfarillo +4
2021-10-25
Data Analysis, Statistics and Probability · Physics
A New Technique for Finding Needles in Haystacks: A Geometric Approach to Distinguishing Between a New Source and Random Fluctuations
Ramani S. Pilla, Catherine Loader, Cyrus Taylor
2007-05-23
Materials Science · Physics
Machine learning-assisted design of material properties
Sanket Kadulkar, Zachary M. Sherman, Venkat Ganesan, Thomas M. Truskett
2022-03-22
Biomolecules · Quantitative Biology
Materials Discovery with Extreme Properties via Reinforcement Learning-Guided Combinatorial Chemistry
Hyunseung Kim, Haeyeon Choi, Dongju Kang, Won Bo Lee +1
2024-05-08
Machine Learning · Statistics
High-Dimensional Materials and Process Optimization using Data-driven Experimental Design with Well-Calibrated Uncertainty Estimates
Julia Ling, Max Hutchinson, Erin Antono, Sean Paradiso +1
2017-07-20
Materials Science · Physics
Learning physical descriptors for materials science by compressed sensing
Luca M. Ghiringhelli, Jan Vybiral, Emre Ahmetcik, Runhai Ouyang +3
2017-03-08