An improved isomorphism test for bounded-tree-width graphs — mentioned by actually_a_dog

Sat, 26 Jun 2021 00:35:01 GMT

> Then there's the problem of figuring out if you've already enumerated a molecule. That problem has no known polynomial-time solution (graph isomorphism), although GDB's low node count mitigates the problem. It's not just the low vertex count that makes this an easier problem than general GI. The state of the art GI algorithm for general graphs runs in quasipolynomial time 2^{O((log n)^c)}, with c=3 claimed. [0] However, structural constraints implied by chemical plausibility should (probably[1]) usefully limit the class of graphs that need be considered to those of bounded treewidth. A…

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An improved isomorphism test for bounded-tree-width graphs · HackerPapers discussions

An improved isomorphism test for bounded-tree-width graphs — mentioned by actually_a_dog