A Detachment Algorithm for Inferring a Graph from Path Frequency

: Inferring graphs from path frequency has been studied as an important problem which has a potential application to drug design and elucidation of chemical structures. Given a multiple set g of strings of labels with length at most K, the problem asks to find a vertex-labeled graph G that attains a one-to-one correspondence between g and the occurrences of labels along all paths of length at most K in G. In this paper, we prove that the problem with K = 1 can be formulated as a problem of finding a loopless and connected detachment, based on which an efficient algorithm for solving the problem is derived. Our algorithm also solves the problem with an additional constraint such that every vertex in an inferred graph is required to have a specified degree.

• Type: Conference
• Year: 2006
• Where: COCOON
• Authors: Hiroshi Nagamochi
• Keywords: COCOON 2006, Combinatorics, Important Problem, Path Frequency, Potential Application