3 papers
cs.SE2019
A multi-label, dual-output deep neural network for automated bug triaging
Christopher A. Choquette-Choo, David Sheldon, Jonny Proppe +2
Bug tracking enables the monitoring and resolution of issues and bugs within organizations. Bug triaging, or assigning bugs to the owner(s) who will resolve them, is a critical com…
physics.chem-ph2019
Gaussian Process-Based Refinement of Dispersion Corrections
Jonny Proppe, Stefan Gugler, Markus Reiher
We employ Gaussian process (GP) regression to adjust for systematic errors in D3-type dispersion corrections introducing the associated, statistically improved model D3-GP. We gene…
physics.chem-ph2018
Mechanism Deduction from Noisy Chemical Reaction Networks
Jonny Proppe, Markus Reiher
We introduce KiNetX, a fully automated meta-algorithm for the kinetic analysis of complex chemical reaction networks derived from semi-accurate but efficient electronic structure c…