Integrating data from heterogeneous sources is often modeled as merging graphs. Given two or more 'compatible', but not-isomorphic graphs, the first step is to identify a graph alignment, where a potentially partial mapping of vertices between two graphs is computed. A significant portion of the literature on this problem only takes the global structure of the input graphs into account. Only more recent ones additionally use vertex and edge attributes to achieve a more accurate alignment. However, these methods are not designed to scale to map large graphs arising in many modern applications. We propose a new iterative graph aligner, gsaNA, that uses the global structure of the graphs to significantly reduce the problem size and align large graphs with a minimal loss of information. Concretely, we show that our proposed technique is highly flexible, can be used to achieve higher recall, and it is orders of magnitudes faster than the current state of the art techniques.
@cite_22: Background: In addition to component-based comparative approaches, network alignments provide the means to study conserved network topology such as common pathways and more complex network motifs. Yet, unlike in classical sequence alignment, the comparison of networks becomes computationally more challenging, as most meaningful assumptions instantly lead to NPhard problems. Most previous algorithmic work on network alignments is heuristic in nature. Results: We introduce the graph-based maximum structural matching formulation for pairwise global network alignment. We relate the formulation to previous work and prove NP-hardness of the problem. Based on the new formulation we build upon recent results in computational structural biology and present a novel Lagrangian relaxation approach that, in combination with a branch-and-bound method, computes provably optimal network alignments. The Lagrangian algorithm alone is a powerful heuristic method, which produces solutions that are often near-optimal and – unlike those computed by pure heuristics – come with a quality guarantee. Conclusion: Computational experiments on the alignment of protein-protein interaction networks and on the classification of metabolic subnetworks demonstrate that the new method is reasonably fast and has advantages over pure heuristics. Our software tool is freely available as part of the LISA library.
@cite_22 , named as Klau in our experiments, the problem of finding the mapping with the maximum score is posed as an integer quadratic program. It is solved by an integer linear programming (ILP) formulation via a sequence of max-weight matching problems. Authors use Lagrangian relaxation to solve this problem approximately in a more reasonable time. However, the ILP based solutions will not scale to larger problem sizes.