Presentation Open Access

Learning with Graph Kernels in the Chemical Universe

Tang, Yu-Hang

Presentations slides of Yu-Hang Tang on application of active machine learning and graph kernels. The talk also features the release of the GraphDot library.

Files (1.5 MB)
Name Size
Graph-Kernels-Chemical-Universe.pdf
md5:cace406c0340df63b787711e13a63662
1.5 MB Download
  • Tang, Y. H., & de Jong, W. A. (2019). Prediction of atomization energy using graph kernel and active learning. The Journal of chemical physics, 150(4), 044107. https://doi.org/10.1063/1.5078640

326
101
views
downloads
All versions This version
Views 32653
Downloads 10139
Data volume 130.7 MB57.2 MB
Unique views 30252
Unique downloads 8135

Share

Cite as