Pattern matching and pattern discovery algorithms for protein topologies

We describe algorithms for pattern matching and pattern learning in TOPS diagrams (formal descriptions of protein topologies). These problems can be reduced to checking for subgraph isomorphism and finding maximal common subgraphs in a restricted class of ordered graphs. We have developed a subgraph isomorphism algorithm for ordered graphs, which performs well on the given set of data. The maximal common subgraph problem then is solved by repeated subgraph extension and checking for isomorphisms. Despite the apparent inefficiency such approach gives an algorithm with time complexity proportional to the number of graphs in the input set and is still practical on the given set of data. As a result we obtain fast methods which can be used for building a database of protein topological motifs, and for the comparison of a given protein of known secondary structure against a motif database

Efficient Pattern Matching in Python

Pattern matching is a powerful tool for symbolic computations. Applications include term rewriting systems, as well as the manipulation of symbolic expressions, abstract syntax trees, and XML and JSON data. It also allows for an intuitive description of algorithms in the form of rewrite rules. We present the open source Python module MatchPy, which offers functionality and expressiveness similar to the pattern matching in Mathematica. In particular, it includes syntactic pattern matching, as well as matching for commutative and/or associative functions, sequence variables, and matching with constraints. MatchPy uses new and improved algorithms to efficiently find matches for large pattern sets by exploiting similarities between patterns. The performance of MatchPy is investigated on several real-world problems

Designing optimal- and fast-on-average pattern matching algorithms

Given a pattern $w$ and a text $t$, the speed of a pattern matching algorithm over $t$ with regard to $w$, is the ratio of the length of $t$ to the number of text accesses performed to search $w$ into $t$. We first propose a general method for computing the limit of the expected speed of pattern matching algorithms, with regard to $w$, over iid texts. Next, we show how to determine the greatest speed which can be achieved among a large class of algorithms, altogether with an algorithm running this speed. Since the complexity of this determination make it impossible to deal with patterns of length greater than 4, we propose a polynomial heuristic. Finally, our approaches are compared with 9 pre-existing pattern matching algorithms from both a theoretical and a practical point of view, i.e. both in terms of limit expected speed on iid texts, and in terms of observed average speed on real data. In all cases, the pre-existing algorithms are outperformed