Machine learning models, especially certain deep neural networks, can predict lattice thermal conductivity with useful accuracy across different generalization tests while being orders of magnitude faster than first-principles calculations.
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Physics-informed graph attention networks predict multi-phase equilibria in Ag-Bi-Cu-Sn alloys with 96% exact-set accuracy on in-domain data and strong generalization to unseen sections.
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Fast and Accurate Prediction of Lattice Thermal Conductivity via Machine Learning Surrogates
Machine learning models, especially certain deep neural networks, can predict lattice thermal conductivity with useful accuracy across different generalization tests while being orders of magnitude faster than first-principles calculations.
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Multi-Label Phase Diagram Prediction in Complex Alloys via Physics-Informed Graph Attention Networks
Physics-informed graph attention networks predict multi-phase equilibria in Ag-Bi-Cu-Sn alloys with 96% exact-set accuracy on in-domain data and strong generalization to unseen sections.