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Matching Polynomial
In the mathematical fields of graph theory and combinatorics, a matching polynomial (sometimes called an acyclic polynomial) is a generating function of the numbers of matchings of various sizes in a graph. It is one of several graph polynomials studied in algebraic graph theory. Definition Several different types of matching polynomials have been defined. Let ''G'' be a graph with ''n'' vertices and let ''mk'' be the number of ''k''-edge matchings. One matching polynomial of ''G'' is :m_G(x) := \sum_ m_k x^k. Another definition gives the matching polynomial as :M_G(x) := \sum_ (-1)^k m_k x^. A third definition is the polynomial :\mu_G(x,y) := \sum_ m_k x^k y^. Each type has its uses, and all are equivalent by simple transformations. For instance, :M_G(x) = x^n m_G(-x^) and :\mu_G(x,y) = y^n m_G(x/y^2). Connections to other polynomials The first type of matching polynomial is a direct generalization of the rook polynomial. The second type of matching polynomial has remark ...
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Mathematics
Mathematics is an area of knowledge that includes the topics of numbers, formulas and related structures, shapes and the spaces in which they are contained, and quantities and their changes. These topics are represented in modern mathematics with the major subdisciplines of number theory, algebra, geometry, and analysis, respectively. There is no general consensus among mathematicians about a common definition for their academic discipline. Most mathematical activity involves the discovery of properties of abstract objects and the use of pure reason to prove them. These objects consist of either abstractions from nature orin modern mathematicsentities that are stipulated to have certain properties, called axioms. A ''proof'' consists of a succession of applications of deductive rules to already established results. These results include previously proved theorems, axioms, andin case of abstraction from naturesome basic properties that are considered true starting points of t ...
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Cycle (graph Theory)
In graph theory, a cycle in a graph is a non-empty trail in which only the first and last vertices are equal. A directed cycle in a directed graph is a non-empty directed trail in which only the first and last vertices are equal. A graph without cycles is called an ''acyclic graph''. A directed graph without directed cycles is called a ''directed acyclic graph''. A connected graph without cycles is called a '' tree''. Definitions Circuit and cycle * A circuit is a non-empty trail in which the first and last vertices are equal (''closed trail''). : Let be a graph. A circuit is a non-empty trail with a vertex sequence . * A cycle or simple circuit is a circuit in which only the first and last vertices are equal. Directed circuit and directed cycle * A directed circuit is a non-empty directed trail in which the first and last vertices are equal (''closed directed trail''). : Let be a directed graph. A directed circuit is a non-empty directed trail with a vertex sequ ...
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Algebraic Graph Theory
Algebraic graph theory is a branch of mathematics in which algebraic methods are applied to problems about graphs. This is in contrast to geometric, combinatoric, or algorithmic approaches. There are three main branches of algebraic graph theory, involving the use of linear algebra, the use of group theory, and the study of graph invariants. Branches of algebraic graph theory Using linear algebra The first branch of algebraic graph theory involves the study of graphs in connection with linear algebra. Especially, it studies the spectrum of the adjacency matrix, or the Laplacian matrix of a graph (this part of algebraic graph theory is also called spectral graph theory). For the Petersen graph, for example, the spectrum of the adjacency matrix is (−2, −2, −2, −2, 1, 1, 1, 1, 1, 3). Several theorems relate properties of the spectrum to other graph properties. As a simple example, a connected graph with diameter ''D ...
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Clique-width
In graph theory, the clique-width of a graph is a parameter that describes the structural complexity of the graph; it is closely related to treewidth, but unlike treewidth it can be bounded even for dense graphs. It is defined as the minimum number of labels needed to construct by means of the following 4 operations : #Creation of a new vertex with label (denoted by ) #Disjoint union of two labeled graphs and (denoted by G \oplus H) #Joining by an edge every vertex labeled to every vertex labeled (denoted by ), where #Renaming label to label (denoted by ) Graphs of bounded clique-width include the cographs and distance-hereditary graphs. Although it is NP-hard to compute the clique-width when it is unbounded, and unknown whether it can be computed in polynomial time when it is bounded, efficient approximation algorithms for clique-width are known. Based on these algorithms and on Courcelle's theorem, many graph optimization problems that are NP-hard for arbitrary gr ...
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Polynomial Time
In computer science, the time complexity is the computational complexity that describes the amount of computer time it takes to run an algorithm. Time complexity is commonly estimated by counting the number of elementary operations performed by the algorithm, supposing that each elementary operation takes a fixed amount of time to perform. Thus, the amount of time taken and the number of elementary operations performed by the algorithm are taken to be related by a constant factor. Since an algorithm's running time may vary among different inputs of the same size, one commonly considers the worst-case time complexity, which is the maximum amount of time required for inputs of a given size. Less common, and usually specified explicitly, is the average-case complexity, which is the average of the time taken on inputs of a given size (this makes sense because there are only a finite number of possible inputs of a given size). In both cases, the time complexity is generally express ...
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Fixed-parameter Tractability
In computer science, parameterized complexity is a branch of computational complexity theory that focuses on classifying computational problems according to their inherent difficulty with respect to ''multiple'' parameters of the input or output. The complexity of a problem is then measured as a function of those parameters. This allows the classification of NP-hard problems on a finer scale than in the classical setting, where the complexity of a problem is only measured as a function of the number of bits in the input. The first systematic work on parameterized complexity was done by . Under the assumption that P ≠ NP, there exist many natural problems that require superpolynomial running time when complexity is measured in terms of the input size only, but that are computable in a time that is polynomial in the input size and exponential or worse in a parameter . Hence, if is fixed at a small value and the growth of the function over is relatively small then such ...
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Treewidth
In graph theory, the treewidth of an undirected graph is an integer number which specifies, informally, how far the graph is from being a tree. The smallest treewidth is 1; the graphs with treewidth 1 are exactly the trees and the forests. The graphs with treewidth at most 2 are the series–parallel graphs. The maximal graphs with treewidth exactly are called '' -trees'', and the graphs with treewidth at most are called '' partial -trees''. Many other well-studied graph families also have bounded treewidth. Treewidth may be formally defined in several equivalent ways: in terms of the size of the largest vertex set in a tree decomposition of the graph, in terms of the size of the largest clique in a chordal completion of the graph, in terms of the maximum order of a haven describing a strategy for a pursuit–evasion game on the graph, or in terms of the maximum order of a bramble, a collection of connected subgraphs that all touch each other. Treewidth is commonly used as a ...
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Planar Graph
In graph theory, a planar graph is a graph that can be embedded in the plane, i.e., it can be drawn on the plane in such a way that its edges intersect only at their endpoints. In other words, it can be drawn in such a way that no edges cross each other. Such a drawing is called a plane graph or planar embedding of the graph. A plane graph can be defined as a planar graph with a mapping from every node to a point on a plane, and from every edge to a plane curve on that plane, such that the extreme points of each curve are the points mapped from its end nodes, and all curves are disjoint except on their extreme points. Every graph that can be drawn on a plane can be drawn on the sphere as well, and vice versa, by means of stereographic projection. Plane graphs can be encoded by combinatorial maps or rotation systems. An equivalence class of topologically equivalent drawings on the sphere, usually with additional assumptions such as the absence of isthmuses, is called a ...
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Chemistry
Chemistry is the scientific study of the properties and behavior of matter. It is a natural science that covers the elements that make up matter to the compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both basic and applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth ( botany), the formation of igneous rocks ( geology), how atmospheric ozone is formed and how environmental pollutants are degraded ( ecology), the properties of the soil on the moon ( cosmochemistry), how medications work ( pharmacology), and how to collec ...
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Chemoinformatics
Cheminformatics (also known as chemoinformatics) refers to use of physical chemistry theory with computer and information science techniques—so called "''in silico''" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such '' in silico'' techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical research a ...
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Hosoya Index
The Hosoya index, also known as the Z index, of a graph is the total number of matchings in it. The Hosoya index is always at least one, because the empty set of edges is counted as a matching for this purpose. Equivalently, the Hosoya index is the number of non-empty matchings plus one. The index is named after Haruo Hosoya. It is used as a topological index in chemical graph theory. Complete graphs have the largest Hosoya index for any given number of vertices; their Hosoya indices are the telephone numbers. History This graph invariant was introduced by Haruo Hosoya in 1971. It is often used in chemoinformatics for investigations of organic compounds.. In his article, "The Topological Index Z Before and After 1971," on the history of the notion and the associated inside stories, Hosoya writes that he introduced the Z index to report a good correlation of the boiling points of alkane isomers and their Z indices, basing on his unpublished 1957 work carried out while he ...
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