22 citations · 59 across the 10 of their papers we have counts for
3 papers · 1 filter
Reducing Training Data Needs with Minimal Multilevel Machine Learning (M3L)
Stefan Heinen, Danish Khan, Guido Falk von Rudorff +7
For many machine learning applications in science, data acquisition, not training, is the bottleneck even when avoiding experiments and relying on computation and simulation. Corre…
Autonomous data extraction from peer reviewed literature for training machine learning models of oxidation potentials
Siwoo Lee, Stefan Heinen, Danish Khan +1
We present an automated data-collection pipeline involving a convolutional neural network and a large language model to extract user-specified tabular data from peer-reviewed liter…
Kernel based quantum machine learning at record rate : Many-body distribution functionals as compact representations
Danish Khan, Stefan Heinen, O. Anatole von Lilienfeld
The feature vector mapping used to represent chemical systems is a key factor governing the superior data-efficiency of kernel based quantum machine learning (QML) models applicabl…