Constraint programmingConstraint programming (CP) is a paradigm for solving combinatorial problems that draws on a wide range of techniques from artificial intelligence, computer science, and operations research. In constraint programming, users declaratively state the constraints on the feasible solutions for a set of decision variables. Constraints differ from the common primitives of imperative programming languages in that they do not specify a step or sequence of steps to execute, but rather the properties of a solution to be found.
Constraint logic programmingConstraint logic programming is a form of constraint programming, in which logic programming is extended to include concepts from constraint satisfaction. A constraint logic program is a logic program that contains constraints in the body of clauses. An example of a clause including a constraint is . In this clause, is a constraint; A(X,Y), B(X), and C(Y) are literals as in regular logic programming. This clause states one condition under which the statement A(X,Y) holds: X+Y is greater than zero and both B(X) and C(Y) are true.
Holonomic constraintsIn classical mechanics, holonomic constraints are relations between the position variables (and possibly time) that can be expressed in the following form: where are n generalized coordinates that describe the system (in unconstrained configuration space). For example, the motion of a particle constrained to lie on the surface of a sphere is subject to a holonomic constraint, but if the particle is able to fall off the sphere under the influence of gravity, the constraint becomes non-holonomic.
Constraint satisfaction problemConstraint satisfaction problems (CSPs) are mathematical questions defined as a set of objects whose state must satisfy a number of constraints or limitations. CSPs represent the entities in a problem as a homogeneous collection of finite constraints over variables, which is solved by constraint satisfaction methods. CSPs are the subject of research in both artificial intelligence and operations research, since the regularity in their formulation provides a common basis to analyze and solve problems of many seemingly unrelated families.
Constraint (mathematics)In mathematics, a constraint is a condition of an optimization problem that the solution must satisfy. There are several types of constraints—primarily equality constraints, inequality constraints, and integer constraints. The set of candidate solutions that satisfy all constraints is called the feasible set. The following is a simple optimization problem: subject to and where denotes the vector (x1, x2). In this example, the first line defines the function to be minimized (called the objective function, loss function, or cost function).
Local consistencyIn constraint satisfaction, local consistency conditions are properties of constraint satisfaction problems related to the consistency of subsets of variables or constraints. They can be used to reduce the search space and make the problem easier to solve. Various kinds of local consistency conditions are leveraged, including node consistency, arc consistency, and path consistency. Every local consistency condition can be enforced by a transformation that changes the problem without changing its solutions.
Lagrangian mechanicsIn physics, Lagrangian mechanics is a formulation of classical mechanics founded on the stationary-action principle (also known as the principle of least action). It was introduced by the Italian-French mathematician and astronomer Joseph-Louis Lagrange in his 1788 work, Mécanique analytique. Lagrangian mechanics describes a mechanical system as a pair consisting of a configuration space and a smooth function within that space called a Lagrangian. For many systems, where and are the kinetic and potential energy of the system, respectively.
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Joseph-Louis LagrangeJoseph-Louis Lagrange (born Giuseppe Luigi Lagrangia or Giuseppe Ludovico De la Grange Tournier; 25 January 1736 – 10 April 1813), also reported as Giuseppe Luigi Lagrange or Lagrangia, was an Italian mathematician, physicist and astronomer, later naturalized French. He made significant contributions to the fields of analysis, number theory, and both classical and celestial mechanics.
Generalized coordinatesIn analytical mechanics, generalized coordinates are a set of parameters used to represent the state of a system in a configuration space. These parameters must uniquely define the configuration of the system relative to a reference state. The generalized velocities are the time derivatives of the generalized coordinates of the system. The adjective "generalized" distinguishes these parameters from the traditional use of the term "coordinate" to refer to Cartesian coordinates.
Uniform convergenceIn the mathematical field of analysis, uniform convergence is a mode of convergence of functions stronger than pointwise convergence. A sequence of functions converges uniformly to a limiting function on a set as the function domain if, given any arbitrarily small positive number , a number can be found such that each of the functions differs from by no more than at every point in .
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
TheoryA theory is a rational type of abstract thinking about a phenomenon, or the results of such thinking. The process of contemplative and rational thinking is often associated with such processes as observational study or research. Theories may be scientific, belong to a non-scientific discipline, or no discipline at all. Depending on the context, a theory's assertions might, for example, include generalized explanations of how nature works. The word has its roots in ancient Greek, but in modern use it has taken on several related meanings.
Molecular design softwareMolecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including: Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development g
Superstring theorySuperstring theory is an attempt to explain all of the particles and fundamental forces of nature in one theory by modeling them as vibrations of tiny supersymmetric strings. 'Superstring theory' is a shorthand for supersymmetric string theory because unlike bosonic string theory, it is the version of string theory that accounts for both fermions and bosons and incorporates supersymmetry to model gravity. Since the second superstring revolution, the five superstring theories (Type I, Type IIA, Type IIB, HO and HE) are regarded as different limits of a single theory tentatively called M-theory.
M-theoryM-theory is a theory in physics that unifies all consistent versions of superstring theory. Edward Witten first conjectured the existence of such a theory at a string theory conference at the University of Southern California in 1995 (M-Theory - Edward Witten (1995)). Witten's announcement initiated a flurry of research activity known as the second superstring revolution. Prior to Witten's announcement, string theorists had identified five versions of superstring theory.
Pointwise convergenceIn mathematics, pointwise convergence is one of various senses in which a sequence of functions can converge to a particular function. It is weaker than uniform convergence, to which it is often compared. Suppose that is a set and is a topological space, such as the real or complex numbers or a metric space, for example. A net or sequence of functions all having the same domain and codomain is said to converge pointwise to a given function often written as if (and only if) The function is said to be the pointwise limit function of the Sometimes, authors use the term bounded pointwise convergence when there is a constant such that .
Compact convergenceIn mathematics compact convergence (or uniform convergence on compact sets) is a type of convergence that generalizes the idea of uniform convergence. It is associated with the compact-open topology. Let be a topological space and be a metric space. A sequence of functions is said to converge compactly as to some function if, for every compact set , uniformly on as . This means that for all compact , If and with their usual topologies, with , then converges compactly to the constant function with value 0, but not uniformly.
String theoryIn physics, string theory is a theoretical framework in which the point-like particles of particle physics are replaced by one-dimensional objects called strings. String theory describes how these strings propagate through space and interact with each other. On distance scales larger than the string scale, a string looks just like an ordinary particle, with its mass, charge, and other properties determined by the vibrational state of the string.
Critical theoryA critical theory is any approach to social philosophy that focuses on society and culture to attempt to reveal, critique, and challenge power structures. With roots in sociology and literary criticism, it argues that social problems stem more from social structures and cultural assumptions than from individuals. It argues that ideology is the principal obstacle to human liberation. Critical theory finds applications in various fields of study, including psychoanalysis, sociology, history, communication theory, philosophy and feminist theory.
