In mathematics, graph theory is the study of graphs, which are mathematical structures used to model pairwise relations between objects. A graph in this context is made up of vertices which are connected by edges. A distinction is made between undirected graphs, where edges link two vertices symmetrically, and directed graphs, where edges link two vertices asymmetrically. Graphs are one of the principal objects of study in discrete mathematics.
In statistical physics and mathematics, percolation theory describes the behavior of a network when nodes or links are added. This is a geometric type of phase transition, since at a critical fraction of addition the network of small, disconnected clusters merge into significantly larger connected, so-called spanning clusters. The applications of percolation theory to materials science and in many other disciplines are discussed here and in the articles network theory and percolation.
A scale-free network is a network whose degree distribution follows a power law, at least asymptotically. That is, the fraction P(k) of nodes in the network having k connections to other nodes goes for large values of k as
Percolation, in physics, chemistry and materials science, refers to the movement and filtering of fluids through porous materials. It is described by Darcy's law. Broader applications have since been developed that cover connectivity of many systems modeled as lattices or graphs, analogous to connectivity of lattice components in the filtration problem that modulates capacity for percolation.
Network theory is the study of graphs as a representation of either symmetric relations or asymmetric relations between discrete objects. In computer science and network science, network theory is a part of graph theory: a network can be defined as a graph in which nodes and/or edges have attributes.
A small-world network is a type of mathematical graph in which most nodes are not neighbors of one another, but the neighbors of any given node are likely to be neighbors of each other and most nodes can be reached from every other node by a small number of hops or steps. Specifically, a small-world network is defined to be a network where the typical distance L between two randomly chosen nodes grows proportionally to the logarithm of the number of nodes N in the network, that is:
Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry.
In the context of network theory, a complex network is a graph (network) with non-trivial topological features—features that do not occur in simple networks such as lattices or random graphs but often occur in networks representing real systems. The study of complex networks is a young and active area of scientific research inspired largely by empirical findings of real-world networks such as computer networks, biological networks, technological networks, brain networks, climate networks and social networks.
This page describes mining for molecules. Since molecules may be represented by molecular graphs this is strongly related to graph mining and structured data mining. The main problem is how to represent molecules while discriminating the data instances. One way to do this is chemical similarity metrics, which has a long tradition in the field of cheminformatics.
In graph theory, the Möbius ladderMn, for even numbers n, is formed from an n-cycle by adding edges connecting opposite pairs of vertices in the cycle. It is a cubic, circulant graph, so-named because (with the exception of M6, Mn has exactly n/2 four-cycles which link together by their shared edges to form a topological Möbius strip. Möbius ladders were named and first studied by Guy and Harary .
In the mathematical field of graph theory, the Erdős–Rényi model is either of two closely related models for generating random graphs or the evolution of a random network. They are named after Hungarian mathematicians Paul Erdős and Alfréd Rényi, who first introduced one of the models in 1959, while Edgar Gilbert introduced the other model contemporaneously and independently of Erdős and Rényi. In the model of Erdős and Rényi, all graphs on a fixed vertex set with a fixed number of edges are equally likely; in the model introduced by Gilbert, also called the Erdős–Rényi–Gilbert model, each edge has a fixed probability of being present or absent, independently of the other edges. These models can be used in the probabilistic method to prove the existence of graphs satisfying various properties, or to provide a rigorous definition of what it means for a property to hold for almost all graphs.
In mathematics, a self-avoiding walk (SAW) is a sequence of moves on a lattice that does not visit the same point more than once. This is a special case of the graph theoretical notion of a path. A self-avoiding polygon (SAP) is a closed self-avoiding walk on a lattice. Very little is known rigorously about the self-avoiding walk from a mathematical perspective, although physicists have provided numerous conjectures that are believed to be true and are strongly supported by numerical simulations.
Mark Newman is an English-American physicist and Anatol Rapoport Distinguished University Professor of Physics at the University of Michigan, as well as an external faculty member of the Santa Fe Institute. He is known for his fundamental contributions to the fields of complex networks and complex systems, for which he was awarded the 2014 Lagrange Prize.
The clique percolation method is a popular approach for analyzing the overlapping community structure of networks. The term network community has no widely accepted unique definition and it is usually defined as a group of nodes that are more densely connected to each other than to other nodes in the network. There are numerous alternative methods for detecting communities in networks, for example, the Girvan–Newman algorithm, hierarchical clustering and modularity maximization.
In chemical graph theory, the Estrada index is a topological index of protein folding. The index was first defined by Ernesto Estrada as a measure of the degree of folding of a protein, which is represented as a path-graph weighted by the dihedral or torsional angles of the protein backbone. This index of degree of folding has found multiple applications in the study of protein functions and protein-ligand interactions.
In graph theory, a k-degenerate graph is an undirected graph in which every subgraph has a vertex of degree at most k: that is, some vertex in the subgraph touches k or fewer of the subgraph's edges. The degeneracy of a graph is the smallest value of k for which it is k-degenerate. The degeneracy of a graph is a measure of how sparse it is, and is within a constant factor of other sparsity measures such as the arboricity of a graph.
In combinatorial mathematics, an Apollonian network is an undirected graph formed by a process of recursively subdividing a triangle into three smaller triangles. Apollonian networks may equivalently be defined as the planar 3-trees, the maximal planar chordal graphs, the uniquely 4-colorable planar graphs, and the graphs of stacked polytopes. They are named after Apollonius of Perga, who studied a related circle-packing construction.
Cristopher David Moore, known as Cris Moore, is an American computer scientist, mathematician, and physicist. He is resident faculty at the Santa Fe Institute, and was formerly a full professor at the University of New Mexico.
Aaron Clauset is an American computer scientist who works in the areas of Network Science, Machine Learning, and Complex Systems. He is currently a professor of computer science at the University of Colorado Boulder and is external faculty at the Santa Fe Institute.
Benjamin E. Rossman is an American mathematician and theoretical computer scientist, specializing in computational complexity theory. He is currently an associate professor of computer science and mathematics at Duke University.
