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Interval Contractor
In mathematics, an interval contractor (or contractor for short) associated to a set X is an operator C which associates to a hyperrectangle /math> in \bold^n another box C( of \bold^n such that the two following properties are always satisfied: * C( \subset /math> (contractance property) * C( \cap X = \cap X (completeness property) A ''contractor associated to a constraint'' (such as an equation or an inequality) is a contractor associated to the set X of all x which satisfy the constraint. Contractors make it possible to improve the efficiency of branch-and-bound algorithms classically used in interval analysis. Properties of contractors A contractor ''C'' is monotonic if we have \subset \Rightarrow C( \subset C( . It is ''minimal'' if for all boxes 'x'' we have C( = xcap X], where 'A''is the ''interval hull'' of the set ''A'', i.e., the smallest box enclosing ''A''. The contractor ''C'' is ''thin'' if for all points ''x'', C(\) = \\cap X where denotes ...
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Mathematics
Mathematics is a field of study that discovers and organizes methods, Mathematical theory, theories and theorems that are developed and Mathematical proof, proved for the needs of empirical sciences and mathematics itself. There are many areas of mathematics, which include number theory (the study of numbers), algebra (the study of formulas and related structures), geometry (the study of shapes and spaces that contain them), Mathematical analysis, analysis (the study of continuous changes), and set theory (presently used as a foundation for all mathematics). Mathematics involves the description and manipulation of mathematical object, abstract objects that consist of either abstraction (mathematics), abstractions from nature orin modern mathematicspurely abstract entities that are stipulated to have certain properties, called axioms. Mathematics uses pure reason to proof (mathematics), prove properties of objects, a ''proof'' consisting of a succession of applications of in ...
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Hyperrectangle
In geometry, a hyperrectangle (also called a box, hyperbox, k-cell or orthotopeCoxeter, 1973), is the generalization of a rectangle (a plane figure) and the rectangular cuboid (a solid figure) to higher dimensions. A necessary and sufficient condition is that it is Congruence (geometry), congruent to the Cartesian product of finite interval (mathematics), intervals. This means that a k-dimensional rectangular solid has each of its edges equal to one of the closed intervals used in the definition. Every k-cell is compact (mathematics), compact. If all of the edges are equal length, it is a ''hypercube''. A hyperrectangle is a special case of a parallelohedron#Related shapes, parallelotope. Formal definition For every integer i from 1 to k, let a_i and b_i be real numbers such that a_i < b_i. The set of all points x=(x_1,\dots,x_k) in \mathbb^k whose coordinates satisfy the inequalities a_i\leq x_i\leq b_i is a k-cell.
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Constraint Algorithm
In computational chemistry, a constraint algorithm is a method for satisfying the Newtonian motion of a rigid body which consists of mass points. A restraint algorithm is used to ensure that the distance between mass points is maintained. The general steps involved are: (i) choose novel unconstrained coordinates (internal coordinates), (ii) introduce explicit constraint forces, (iii) minimize constraint forces implicitly by the technique of Lagrange multipliers or projection methods. Constraint algorithms are often applied to molecular dynamics simulations. Although such simulations are sometimes performed using internal coordinates that automatically satisfy the bond-length, bond-angle and torsion-angle constraints, simulations may also be performed using explicit or implicit constraint forces for these three constraints. However, explicit constraint forces give rise to inefficiency; more computational power is required to get a trajectory of a given length. Therefore, internal ...
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Equation
In mathematics, an equation is a mathematical formula that expresses the equality of two expressions, by connecting them with the equals sign . The word ''equation'' and its cognates in other languages may have subtly different meanings; for example, in French an ''équation'' is defined as containing one or more variables, while in English, any well-formed formula consisting of two expressions related with an equals sign is an equation. Solving an equation containing variables consists of determining which values of the variables make the equality true. The variables for which the equation has to be solved are also called unknowns, and the values of the unknowns that satisfy the equality are called solutions of the equation. There are two kinds of equations: identities and conditional equations. An identity is true for all values of the variables. A conditional equation is only true for particular values of the variables. The " =" symbol, which appears in every equati ...
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Inequality (mathematics)
In mathematics, an inequality is a relation which makes a non-equal comparison between two numbers or other mathematical expressions. It is used most often to compare two numbers on the number line by their size. The main types of inequality are less than and greater than (denoted by and , respectively the less-than sign, less-than and greater-than sign, greater-than signs). Notation There are several different notations used to represent different kinds of inequalities: * The notation ''a'' ''b'' means that ''a'' is greater than ''b''. In either case, ''a'' is not equal to ''b''. These relations are known as strict inequalities, meaning that ''a'' is strictly less than or strictly greater than ''b''. Equality is excluded. In contrast to strict inequalities, there are two types of inequality relations that are not strict: * The notation ''a'' ≤ ''b'' or ''a'' ⩽ ''b'' or ''a'' ≦ ''b'' means that ''a'' is less than or equal to ''b'' (or, equivalently, at most ''b'', or no ...
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Branch And Bound
Branch and bound (BB, B&B, or BnB) is a method for solving optimization problems by breaking them down into smaller sub-problems and using a bounding function to eliminate sub-problems that cannot contain the optimal solution. It is an algorithm design paradigm for discrete and combinatorial optimization problems, as well as mathematical optimization. A branch-and-bound algorithm consists of a systematic enumeration of candidate solutions by means of state space search: the set of candidate solutions is thought of as forming a rooted tree with the full set at the root. The algorithm explores ''branches'' of this tree, which represent subsets of the solution set. Before enumerating the candidate solutions of a branch, the branch is checked against upper and lower estimated ''bounds'' on the optimal solution, and is discarded if it cannot produce a better solution than the best one found so far by the algorithm. The algorithm depends on efficient estimation of the lower and u ...
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Interval Arithmetic
Interval arithmetic (also known as interval mathematics; interval analysis or interval computation) is a mathematical technique used to mitigate rounding and measurement errors in mathematical computation by computing function bounds. Numerical methods involving interval arithmetic can guarantee relatively reliable and mathematically correct results. Instead of representing a value as a single number, interval arithmetic or interval mathematics represents each value as a range of possibilities. Mathematically, instead of working with an uncertain real-valued variable x, interval arithmetic works with an interval ,b/math> that defines the range of values that x can have. In other words, any value of the variable x lies in the closed interval between a and b. A function f, when applied to x, produces an interval ,d/math> which includes all the possible values for f(x) for all x \in ,b/math>. Interval arithmetic is suitable for a variety of purposes; the most common use is ...
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Monotonic Function
In mathematics, a monotonic function (or monotone function) is a function between ordered sets that preserves or reverses the given order. This concept first arose in calculus, and was later generalized to the more abstract setting of order theory. In calculus and analysis In calculus, a function f defined on a subset of the real numbers with real values is called ''monotonic'' if it is either entirely non-decreasing, or entirely non-increasing. That is, as per Fig. 1, a function that increases monotonically does not exclusively have to increase, it simply must not decrease. A function is termed ''monotonically increasing'' (also ''increasing'' or ''non-decreasing'') if for all x and y such that x \leq y one has f\!\left(x\right) \leq f\!\left(y\right), so f preserves the order (see Figure 1). Likewise, a function is called ''monotonically decreasing'' (also ''decreasing'' or ''non-increasing'') if, whenever x \leq y, then f\!\left(x\right) \geq f\!\left(y\right), ...
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