Weekly Notes for Week 38 (and week 39)

• This weeks topics:
  • Continuation of the introduction to Canonicalization.
  • (Sub-)graph isomorphism (Ullmann’s algorithms)
  • SMILES notation (and why using it is often a bad idea to use SMILES)
• Wrt. the first mandatory assignment I will
  • introduce to the strategy framework of mød
  • explain the “revive” strategy in mød
• Reading Material:
  • For Canonicalization : still Chapter 4 of the PhD thesis by Jakob Lykke Andersen
  • For SMILES, see again: Articles by Weininger (SMILES1 and SMILES2).
  • Link for visualising graph canonicalization as shown in the first lecture: http:// jakobandersen.github.io/graph_canon_vis
  • McKay, B.D. and Piperno, A., Practical Graph Isomorphism, II, Journal of Symbolic Computation, 60 (2014), pp.94-112.
  • S. G. Hartke and A. Radcliffe. McKay’s canonical graph labeling algorithm. In Communicating Mathematics, volume 479 of Contemporary Mathematics, pages 99-111. American Mathematical Society, (2009). This article contains the example for the handwritten example I will use.
  • mød documentation (username and password, see email).