no code implementations • 21 Aug 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
DRNets compensate for the limited data by exploiting and magnifying the rich prior knowledge about the thermodynamic rules governing the mixtures of crystals with constraint reasoning seamlessly integrated into neural network optimization.
2 code implementations • 4 Jun 2021 • Shufeng Kong, Dan Guevarra, Carla P. Gomes, John M. Gregoire
To address these issues, we introduce the Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP) framework that seamlessly integrates (i) prediction using only a material's composition, (ii) learning and exploitation of correlations among target properties in multi-target regression, and (iii) leveraging training data from tangential domains via generative transfer learning.
BIG-bench Machine Learning Generative Adversarial Network +4
no code implementations • 19 Jan 2021 • 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 experimentation enabled by artificial intelligence (AI) offers a new paradigm for accelerating scientific discovery.