Maximum common subgraph isomorphism algorithms for the matching of chemical structures

The maximum common subgraph (MCS) problem has become increasingly important in those aspects of chemoinformatics that involve the matching of 2D or 3D chemical structures. This paper provides a classification and a review of the many MCS algorithms, both exact and approximate, that have been described in the literature, and makes recommendations regarding their applicability to typical chemoinformatics tasks

Parameterized Approximation Schemes for Steiner Trees with Small Number of Steiner Vertices

We study the Steiner Tree problem, in which a set of terminal vertices needs to be connected in the cheapest possible way in an edge-weighted graph. This problem has been extensively studied from the viewpoint of approximation and also parametrization. In particular, on one hand Steiner Tree is known to be APX-hard, and W[2]-hard on the other, if parameterized by the number of non-terminals (Steiner vertices) in the optimum solution. In contrast to this we give an efficient parameterized approximation scheme (EPAS), which circumvents both hardness results. Moreover, our methods imply the existence of a polynomial size approximate kernelization scheme (PSAKS) for the considered parameter. We further study the parameterized approximability of other variants of Steiner Tree, such as Directed Steiner Tree and Steiner Forest. For neither of these an EPAS is likely to exist for the studied parameter: for Steiner Forest an easy observation shows that the problem is APX-hard, even if the input graph contains no Steiner vertices. For Directed Steiner Tree we prove that approximating within any function of the studied parameter is W[1]-hard. Nevertheless, we show that an EPAS exists for Unweighted Directed Steiner Tree, but a PSAKS does not. We also prove that there is an EPAS and a PSAKS for Steiner Forest if in addition to the number of Steiner vertices, the number of connected components of an optimal solution is considered to be a parameter.Comment: 23 pages, 6 figures An extended abstract appeared in proceedings of STACS 201

Dynamic Graph Stream Algorithms in o(n)o(n) Space

In this paper we study graph problems in dynamic streaming model, where the input is defined by a sequence of edge insertions and deletions. As many natural problems require $\Omega(n)$ space, where $n$ is the number of vertices, existing works mainly focused on designing $\tilde{O}(n)$ space algorithms. Although sublinear in the number of edges for dense graphs, it could still be too large for many applications (e.g. $n$ is huge or the graph is sparse). In this work, we give single-pass algorithms beating this space barrier for two classes of problems. We present $o(n)$ space algorithms for estimating the number of connected components with additive error $\varepsilon n$ and $(1+\varepsilon)$-approximating the weight of minimum spanning tree, for any small constant $\varepsilon>0$. The latter improves previous $\tilde{O}(n)$ space algorithm given by Ahn et al. (SODA 2012) for connected graphs with bounded edge weights. We initiate the study of approximate graph property testing in the dynamic streaming model, where we want to distinguish graphs satisfying the property from graphs that are $\varepsilon$-far from having the property. We consider the problem of testing $k$-edge connectivity, $k$-vertex connectivity, cycle-freeness and bipartiteness (of planar graphs), for which, we provide algorithms using roughly $\tilde{O}(n^{1-\varepsilon})$ space, which is $o(n)$ for any constant $\varepsilon$. To complement our algorithms, we present $\Omega(n^{1-O(\varepsilon)})$ space lower bounds for these problems, which show that such a dependence on $\varepsilon$ is necessary.Comment: ICALP 201