Cluster samplingIn statistics, cluster sampling is a sampling plan used when mutually homogeneous yet internally heterogeneous groupings are evident in a statistical population. It is often used in marketing research. In this sampling plan, the total population is divided into these groups (known as clusters) and a simple random sample of the groups is selected. The elements in each cluster are then sampled. If all elements in each sampled cluster are sampled, then this is referred to as a "one-stage" cluster sampling plan.
Chemical structureA chemical structure of a molecule is a spatial arrangement of its atoms and their chemical bonds. Its determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together and can be represented using structural formulae and by molecular models; complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals.
Chromosome (genetic algorithm)In genetic algorithms (GA), or more general, evolutionary algorithms (EA), a chromosome (also sometimes called a genotype) is a set of parameters which define a proposed solution of the problem that the evolutionary algorithm is trying to solve. The set of all solutions, also called individuals according to the biological model, is known as the population. The genome of an individual consists of one, more rarely of several, chromosomes and corresponds to the genetic representation of the task to be solved.
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
Memetic algorithmA memetic algorithm (MA) in computer science and operations research, is an extension of the traditional genetic algorithm (GA) or more general evolutionary algorithm (EA). It may provide a sufficiently good solution to an optimization problem. It uses a suitable heuristic or local search technique to improve the quality of solutions generated by the EA and to reduce the likelihood of premature convergence. Memetic algorithms represent one of the recent growing areas of research in evolutionary computation.
Crossover (genetic algorithm)In genetic algorithms and evolutionary computation, crossover, also called recombination, is a genetic operator used to combine the genetic information of two parents to generate new offspring. It is one way to stochastically generate new solutions from an existing population, and is analogous to the crossover that happens during sexual reproduction in biology. Solutions can also be generated by cloning an existing solution, which is analogous to asexual reproduction. Newly generated solutions may be mutated before being added to the population.
Global optimizationGlobal optimization is a branch of applied mathematics and numerical analysis that attempts to find the global minima or maxima of a function or a set of functions on a given set. It is usually described as a minimization problem because the maximization of the real-valued function is equivalent to the minimization of the function . Given a possibly nonlinear and non-convex continuous function with the global minima and the set of all global minimizers in , the standard minimization problem can be given as that is, finding and a global minimizer in ; where is a (not necessarily convex) compact set defined by inequalities .
Mean absolute errorIn statistics, mean absolute error (MAE) is a measure of errors between paired observations expressing the same phenomenon. Examples of Y versus X include comparisons of predicted versus observed, subsequent time versus initial time, and one technique of measurement versus an alternative technique of measurement. MAE is calculated as the sum of absolute errors divided by the sample size: It is thus an arithmetic average of the absolute errors , where is the prediction and the true value.
Nonprobability samplingSampling is the use of a subset of the population to represent the whole population or to inform about (social) processes that are meaningful beyond the particular cases, individuals or sites studied. Probability sampling, or random sampling, is a sampling technique in which the probability of getting any particular sample may be calculated. In cases where external validity is not of critical importance to the study's goals or purpose, researchers might prefer to use nonprobability sampling.
Multidisciplinary design optimizationMulti-disciplinary design optimization (MDO) is a field of engineering that uses optimization methods to solve design problems incorporating a number of disciplines. It is also known as multidisciplinary system design optimization (MSDO), and Multidisciplinary Design Analysis and Optimization (MDAO). MDO allows designers to incorporate all relevant disciplines simultaneously. The optimum of the simultaneous problem is superior to the design found by optimizing each discipline sequentially, since it can exploit the interactions between the disciplines.
