1 citations · 1 across the 3 of their papers we have counts for
3 papers
Amortized Molecular Optimization via Group Relative Policy Optimization
Muhammad bin Javaid, Hasham Hussain, Ashima Khanna-Reiter +7
In structurally constrained molecular optimization, state-of-the-art methods treat every new input structure as a separate instance, restarting an expensive oracle-driven search fr…
Distinguished In Uniform: Self Attention Vs. Virtual Nodes
Eran Rosenbluth, Jan Tönshoff, Martin Ritzert +2
Graph Transformers (GTs) such as SAN and GPS are graph processing models that combine Message-Passing GNNs (MPGNNs) with global Self-Attention. They were shown to be universal func…
One Model, Any CSP: Graph Neural Networks as Fast Global Search Heuristics for Constraint Satisfaction
Jan Tönshoff, Berke Kisin, Jakob Lindner +1
We propose a universal Graph Neural Network architecture which can be trained as an end-2-end search heuristic for any Constraint Satisfaction Problem (CSP). Our architecture can b…