Author: Marcus Ludwig; Louis-Félix Nothias; Kai Dührkop; Irina Koester; Markus Fleischauer; Martin A. Hoffmann; Daniel Petras; Fernando Vargas; Mustafa Morsy; Lihini Aluwihare; Pieter C. Dorrestein; Sebastian Böcker
Title: ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules Document date: 2019_11_16
ID: 03uonbrv_69
Snippet: we can show that these problems are in fact equivalent: We have log P(a | D) = w(a(C)) + α for some constant α ∈ R. Here, we assumed that E = E * contains all possible edges; we call (V, E * ) a complete assignment graph. But we can encode any edge set E E * using zero edge weight for all e / ∈ E, so both problems are equivalent. Hence, it is natural to ask for an optimal solution of the problem, which would correspond to a maximum a poster.....
Document: we can show that these problems are in fact equivalent: We have log P(a | D) = w(a(C)) + α for some constant α ∈ R. Here, we assumed that E = E * contains all possible edges; we call (V, E * ) a complete assignment graph. But we can encode any edge set E E * using zero edge weight for all e / ∈ E, so both problems are equivalent. Hence, it is natural to ask for an optimal solution of the problem, which would correspond to a maximum a posteriori estimator.
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