20 citations · 61 across the 12 of their papers we have counts for
3 papers · 1 filter
Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry
Hatem Helal, Jesun Firoz, Jenna Bilbrey +5
Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitivel…
Tuple Packing: Efficient Batching of Small Graphs in Graph Neural Networks
Mario Michael Krell, Manuel Lopez, Sreenidhi Anand +2
When processing a batch of graphs in machine learning models such as Graph Neural Networks (GNN), it is common to combine several small graphs into one overall graph to accelerate…
Classifier Transfer with Data Selection Strategies for Online Support Vector Machine Classification with Class Imbalance
Mario Michael Krell, Nils Wilshusen, Anett Seeland +1
Objective: Classifier transfers usually come with dataset shifts. To overcome them, online strategies have to be applied. For practical applications, limitations in the computation…