On functional module detection in metabolic networks

Functional modules of metabolic networks are essential for understanding the metabolism of an organism as a whole. With the vast amount of experimental data and the construction of complex and large-scale, often genome-wide, models, the computer-aided identification of functional modules becomes more and more important. Since steady states play a key role in biology, many methods have been developed in that context, for example, elementary flux modes, extreme pathways, transition invariants and place invariants. Metabolic networks can be studied also from the point of view of graph theory, and algorithms for graph decomposition have been applied for the identification of functional modules. A prominent and currently intensively discussed field of methods in graph theory addresses the Q-modularity. In this paper, we recall known concepts of module detection based on the steady-state assumption, focusing on transition-invariants (elementary modes) and their computation as minimal solutions of systems of Diophantine equations. We present the Fourier-Motzkin algorithm in detail. Afterwards, we introduce the Q-modularity as an example for a useful non-steady-state method and its application to metabolic networks. To illustrate and discuss the concepts of invariants and Q-modularity, we apply a part of the central carbon metabolism in potato tubers (Solanum tuberosum) as running example. The intention of the paper is to give a compact presentation of known steady-state concepts from a graph-theoretical viewpoint in the context of network decomposition and reduction and to introduce the application of Q-modularity to metabolic Petri net models

P?=NP as minimization of degree 4 polynomial, integration or Grassmann number problem, and new graph isomorphism problem approaches

While the P vs NP problem is mainly approached form the point of view of discrete mathematics, this paper proposes reformulations into the field of abstract algebra, geometry, fourier analysis and of continuous global optimization - which advanced tools might bring new perspectives and approaches for this question. The first one is equivalence of satisfaction of 3-SAT problem with the question of reaching zero of a nonnegative degree 4 multivariate polynomial (sum of squares), what could be tested from the perspective of algebra by using discriminant. It could be also approached as a continuous global optimization problem inside $[0,1]^n$, for example in physical realizations like adiabatic quantum computers. However, the number of local minima usually grows exponentially. Reducing to degree 2 polynomial plus constraints of being in $\{0,1\}^n$, we get geometric formulations as the question if plane or sphere intersects with $\{0,1\}^n$. There will be also presented some non-standard perspectives for the Subset-Sum, like through convergence of a series, or zeroing of $\int_0^{2\pi} \prod_i \cos(\varphi k_i) d\varphi$ fourier-type integral for some natural $k_i$. The last discussed approach is using anti-commuting Grassmann numbers $\theta_i$, making $(A \cdot \textrm{diag}(\theta_i))^n$ nonzero only if $A$ has a Hamilton cycle. Hence, the P$\ne$NP assumption implies exponential growth of matrix representation of Grassmann numbers. There will be also discussed a looking promising algebraic/geometric approach to the graph isomorphism problem -- tested to successfully distinguish strongly regular graphs with up to 29 vertices.Comment: 19 pages, 8 figure

Factorization invariants in numerical monoids

Nonunique factorization in commutative monoids is often studied using factorization invariants, which assign to each monoid element a quantity determined by the factorization structure. For numerical monoids (co-finite, additive submonoids of the natural numbers), several factorization invariants have received much attention in the recent literature. In this survey article, we give an overview of the length set, elasticity, delta set, $\omega$-primality, and catenary degree invariants in the setting of numerical monoids. For each invariant, we present current major results in the literature and identify the primary open questions that remain

Persistent Homology Over Directed Acyclic Graphs

We define persistent homology groups over any set of spaces which have inclusions defined so that the corresponding directed graph between the spaces is acyclic, as well as along any subgraph of this directed graph. This method simultaneously generalizes standard persistent homology, zigzag persistence and multidimensional persistence to arbitrary directed acyclic graphs, and it also allows the study of more general families of topological spaces or point-cloud data. We give an algorithm to compute the persistent homology groups simultaneously for all subgraphs which contain a single source and a single sink in $O(n^4)$ arithmetic operations, where $n$ is the number of vertices in the graph. We then demonstrate as an application of these tools a method to overlay two distinct filtrations of the same underlying space, which allows us to detect the most significant barcodes using considerably fewer points than standard persistence.Comment: Revised versio

Symmetry Detection of Rational Space Curves from their Curvature and Torsion

We present a novel, deterministic, and efficient method to detect whether a given rational space curve is symmetric. By using well-known differential invariants of space curves, namely the curvature and torsion, the method is significantly faster, simpler, and more general than an earlier method addressing a similar problem. To support this claim, we present an analysis of the arithmetic complexity of the algorithm and timings from an implementation in Sage.Comment: 25 page

Decremental All-Pairs ALL Shortest Paths and Betweenness Centrality

We consider the all pairs all shortest paths (APASP) problem, which maintains the shortest path dag rooted at every vertex in a directed graph G=(V,E) with positive edge weights. For this problem we present a decremental algorithm (that supports the deletion of a vertex, or weight increases on edges incident to a vertex). Our algorithm runs in amortized O(\vstar^2 \cdot \log n) time per update, where n=|V|, and \vstar bounds the number of edges that lie on shortest paths through any given vertex. Our APASP algorithm can be used for the decremental computation of betweenness centrality (BC), a graph parameter that is widely used in the analysis of large complex networks. No nontrivial decremental algorithm for either problem was known prior to our work. Our method is a generalization of the decremental algorithm of Demetrescu and Italiano [DI04] for unique shortest paths, and for graphs with \vstar =O(n), we match the bound in [DI04]. Thus for graphs with a constant number of shortest paths between any pair of vertices, our algorithm maintains APASP and BC scores in amortized time O(n^2 \log n) under decremental updates, regardless of the number of edges in the graph.Comment: An extended abstract of this paper will appear in Proc. ISAAC 201