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Testing or benchmarking network algorithms in bioinformatics requires a diverse set of networks with realistic properties. Real networks are often supplemented by randomly generated synthetic ones, but most graph generative models do not take into account the distribution of subgraph patterns, i.e. motifs or graphlets . Moreover, in many cases, biological interactions are uncertain events and must be modeled by probabilistic graph edges. The uncertainty is often ignored in practice, which can lead to incorrect conclusions about the properties of biological networks. In this work, we instead derive bounds on the graphlet counts and degree distribution of a probabilistic target network and use this information as input to a novel random graph generation algorithm. The algorithm grows graphs incrementally by making small modifications in every step, which allows for an efficient graphlet counting method. Using this method, we can update graphlet counts after each iteration in a time independent of the total node number on sparse graphs. We evaluate our model on synthetic and real networks of different sizes and with different degrees of uncertainty. Although computation times strongly depend on the size of graphlets taken into account, our experiments demonstrate that graphs with over 10 000 edges and well-controlled frequencies of all three- and four-node graphlets can be generated in under an hour.

This paper explores the concept of zip quines, which are zip files that contain themselves upon extraction, extending the idea of computational self-reference. While only two individuals, Russ Cox and Erling Ellingsen, have created such entities, this study focuses on Cox’s method to develop a generator for these files. Overcoming the initial limitations, the generator allows for the inclusion of additional files within the zip quine. Additionally, this research explores the concept of looped zip files, wherein a zip archive contains another archive. This archive then contains the initial zip file. By offering practical methodologies and insights, this study advances the understanding and application of quines in computer science.

Many real-life problems boil down to a variant of the Minimum Steiner Tree Problem (STP). In telecommunications, Fiber-To-The-Home (FTTH) houses are clustered so they can be connected with fiber as cost-efficiently as possible. The cost calculation of a fiber installment can be formulated as a capacitated STP. Often, STP variants are solved with integer linear programs, which provide excellent solutions, though the running time costs increase quickly with graph size. Some geographical areas require graphs of over 20000 nodes—typically unattainable for integer linear programs. This paper presents an alternative approach. It extends the shortest path heuristic for the STP to a new heuristic that can construct solutions for the capacitated STP: the Capacitated Shortest Path Heuristic (CSPH). It is straightforward to implement, allowing many extensions. In experiments on realistic telecommunications datasets, CSPH finds solutions on average in time O (| V | 2 ), quadratic in the number of nodes, making it possible to solve 50000 node graphs in under a minute.

Background De Bruijn graphs are key data structures for the analysis of next-generation sequencing data. They efficiently represent the overlap between reads and hence, also the underlying genome sequence. However, sequencing errors and repeated subsequences render the identification of the true underlying sequence difficult. A key step in this process is the inference of the multiplicities of nodes and arcs in the graph. These multiplicities correspond to the number of times each k -mer (resp. k +1-mer) implied by a node (resp. arc) is present in the genomic sequence. Determining multiplicities thus reveals the repeat structure and presence of sequencing errors. Multiplicities of nodes/arcs in the de Bruijn graph are reflected in their coverage, however, coverage variability and coverage biases render their determination ambiguous. Current methods to determine node/arc multiplicities base their decisions solely on the information in nodes and arcs individually, under-utilising the information present in the sequencing data. Results To improve the accuracy with which node and arc multiplicities in a de Bruijn graph are inferred, we developed a conditional random field (CRF) model to efficiently combine the coverage information within each node/arc individually with the information of surrounding nodes and arcs. Multiplicities are thus collectively assigned in a more consistent manner. Conclusions We demonstrate that the CRF model yields significant improvements in accuracy and a more robust expectation-maximisation parameter estimation. True k -mers can be distinguished from erroneous k -mers with a higher F 1 score than existing methods. A C++11 implementation is available at https://github.com/biointec/detox under the GNU AGPL v3.0 license.

Graphlets are small subgraphs, usually containing up to five vertices, that can be found in a larger graph. Identification of the graphlets that a vertex in an explored graph touches can provide useful information about the local structure of the graph around that vertex. Actually finding all graphlets in a large graph can be time-consuming, however. As the graphlets grow in size, more different graphlets emerge and the time needed to find each graphlet also scales up. If it is not needed to find each instance of each graphlet, but knowing the number of graphlets touching each node of the graph suffices, the problem is less hard. Previous research shows a way to simplify counting the graphlets: instead of looking for the graphlets needed, smaller graphlets are searched, as well as the number of common neighbors of vertices. Solving a system of equations then gives the number of times a vertex is part of each graphlet of the desired size. However, until now, equations only exist to count graphlets with 4 or 5 nodes. In this paper, two new techniques are presented. The first allows to generate the equations needed in an automatic way. This eliminates the tedious work needed to do so manually each time an extra node is added to the graphlets. The technique is independent on the number of nodes in the graphlets and can thus be used to count larger graphlets than previously possible. The second technique gives all graphlets a unique ordering which is easily extended to name graphlets of any size. Both techniques were used to generate equations to count graphlets with 4, 5 and 6 vertices, which extends all previous results. Code can be found at https://github.com/IneMelckenbeeck/equation-generator and https://github.com/IneMelckenbeeck/graphlet-naming.

Subgraph matching algorithms are used to find and enumerate specific interconnection structures in networks. By enumerating these specific structures/subgraphs, the fundamental properties of the network can be derived. More specifically in biological networks, subgraph matching algorithms are used to discover network motifs, specific patterns occurring more often than expected by chance. Finding these network motifs yields information on the underlying biological relations modelled by the network. In this work, we present the Index-based Subgraph Matching Algorithm with General Symmetries (ISMAGS), an improved version of the Index-based Subgraph Matching Algorithm (ISMA). ISMA quickly finds all instances of a predefined motif in a network by intelligently exploring the search space and taking into account easily identifiable symmetric structures. However, more complex symmetries (possibly involving switching multiple nodes) are not taken into account, resulting in superfluous output. ISMAGS overcomes this problem by using a customised symmetry analysis phase to detect all symmetric structures in the network motif subgraphs. These structures are then converted to symmetry-breaking constraints used to prune the search space and speed up calculations. The performance of the algorithm was tested on several types of networks (biological, social and computer networks) for various subgraphs with a varying degree of symmetry. For subgraphs with complex (multi-node) symmetric structures, high speed-up factors are obtained as the search space is pruned by the symmetry-breaking constraints. For subgraphs with no or simple symmetric structures, ISMAGS still reduces computation times by optimising set operations. Moreover, the calculated list of subgraph instances is minimal as it contains no instances that differ by only a subgraph symmetry. An implementation of the algorithm is freely available at https://github.com/mhoubraken/ISMAGS.

BACKGROUND : Graphlets are useful for bioinformatics network analysis. Based on the structure of Hoˇcevar and Demšar’s ORCA algorithm, we have created an orbit counting algorithm, named Jesse. This algorithm, like ORCA, uses equations to count the orbits, but unlike ORCA it can count graphlets of any order. To do so, it generates the required internal structures and equations automatically. Many more redundant equations are generated, however, and Jesse’s running time is highly dependent on which of these equations are used. Therefore, this paper aims to investigate which equations are most efficient, and which factors have an effect on this efficiency. RESULTS : With appropriate equation selection, Jesse’s running time may be reduced by a factor of up to 2 in the best case, compared to using randomly selected equations. Which equations are most efficient depends on the density of the graph, but barely on the graph type. At low graph density, equations with terms in their right-hand side with few arguments are more efficient, whereas at high density, equations with terms with many arguments in the right-hand side are most efficient. At a density between 0.6 and 0.7, both types of equations are about equally efficient. CONCLUSION : Our Jesse algorithm became up to a factor 2 more efficient, by automatically selecting the best equations based on graph density. It was adapted into a Cytoscape App that is freely available from the Cytoscape App Store to ease application by bioinformaticians.

Subgraph matching algorithms are designed to find all instances of predefined subgraphs in a large graph or network and play an important role in the discovery and analysis of so-called network motifs, subgraph patterns which occur more often than expected by chance. We present the index-based subgraph matching algorithm (ISMA), a novel tree-based algorithm. ISMA realizes a speedup compared to existing algorithms by carefully selecting the order in which the nodes of a query subgraph are investigated. In order to achieve this, we developed a number of data structures and maximally exploited symmetry characteristics of the subgraph. We compared ISMA to a naive recursive tree-based algorithm and to a number of well-known subgraph matching algorithms. Our algorithm outperforms the other algorithms, especially on large networks and with large query subgraphs. An implementation of ISMA in Java is freely available at http://sourceforge.net/projects/isma/.

Networks and graphs are highly relevant in modeling real-life communities and their interactions. In order to gain insight in their structure, different roles are attributed to vertices, effectively clustering them in equivalence classes. A new formal definition of regular equivalence is presented in this paper, and the relation with other equivalence types is investigated and mathematically proven. An efficient algorithm is designed, able to detect all regularly equivalent roles in large-scale complex networks. We apply it to both Barabási–Albert random networks, as well as real-life social networks, which leads to interesting insights.

Computer network administrators are often interested in the maximal bandwidth that can be achieved between two nodes in the network, or how many edges can fail before the network gets disconnected. Classic maximum flow algorithms that solve these problems are well-known. However, in practice, network policies are in effect, severely restricting the flow that can actually be set up. These policies are put into place to conform to service level agreements and optimize network throughput, and can have a large impact on the actual routing of the flows. In this work, we model the problem and define a series of progressively more complex conditions and algorithms that calculate increasingly tighter bounds on the policy-compliant maximum flow using regular expressions and finite state automata. To the best of our knowledge, this is the first time that specific conditions are deduced, which characterize how to calculate policy-compliant maximum flows using classic algorithms on an unmodified network.