33 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Technical University of MunichDE3 papers
- University of KaiserslauternDE2 papers
- Weihenstephan-Triesdorf University of Applied SciencesDE2 papers
- Forschungszentrum JülichDE1 paper
- Jülich Aachen Research AllianceDE1 paper
- Maastricht UniversityNL1 paper
- Max Planck Institute for Terrestrial MicrobiologyDE1 paper
- RWTH Aachen UniversityDE1 paper
- Theriva Biologics (United States)US1 paper
- University of Applied Sciences KaiserslauternDE1 paper
- University of ExeterGB1 paper
- University of TwenteNL1 paper
Showing 2024 · cs.LGShow all
2 papers · 2 filters
cs.LG2024★ 8 cited
GraphXForm: Graph transformer for computer-aided molecular design
Jonathan Pirnay, Jan G. Rittig, Alexander B. Wolf +4
Generative deep learning has become pivotal in molecular design for drug discovery, materials science, and chemical engineering. A widely used paradigm is to pretrain neural networ…
cs.LG2024★ 1 cited
Take a Step and Reconsider: Sequence Decoding for Self-Improved Neural Combinatorial Optimization
Jonathan Pirnay, Dominik G. Grimm
The constructive approach within Neural Combinatorial Optimization (NCO) treats a combinatorial optimization problem as a finite Markov decision process, where solutions are built…