2 papers
cs.LG2025
Prime Implicant Explanations for Reaction Feasibility Prediction
Klaus Weinbauer, Tieu-Long Phan, Peter F. Stadler +2
Machine learning models that predict the feasibility of chemical reactions have become central to automated synthesis planning. Despite their predictive success, these models often…
cs.DS2025
On Finding All Connected Maximum-Sized Common Subgraphs in Multiple Labeled Graphs
Johannes B. S. Petersen, Akbar Davoodi, Thomas Gärtner +2
We present an exact algorithm for computing all common subgraphs with the maximum number of vertices across multiple graphs. Our approach is further extended to handle the connecte…