Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Robust regressionIn robust statistics, robust regression seeks to overcome some limitations of traditional regression analysis. A regression analysis models the relationship between one or more independent variables and a dependent variable. Standard types of regression, such as ordinary least squares, have favourable properties if their underlying assumptions are true, but can give misleading results otherwise (i.e. are not robust to assumption violations).
Regression analysisIn statistical modeling, regression analysis is a set of statistical processes for estimating the relationships between a dependent variable (often called the 'outcome' or 'response' variable, or a 'label' in machine learning parlance) and one or more independent variables (often called 'predictors', 'covariates', 'explanatory variables' or 'features'). The most common form of regression analysis is linear regression, in which one finds the line (or a more complex linear combination) that most closely fits the data according to a specific mathematical criterion.
Lexicographic orderIn mathematics, the lexicographic or lexicographical order (also known as lexical order, or dictionary order) is a generalization of the alphabetical order of the dictionaries to sequences of ordered symbols or, more generally, of elements of a totally ordered set. There are several variants and generalizations of the lexicographical ordering. One variant applies to sequences of different lengths by comparing the lengths of the sequences before considering their elements.
Total orderIn mathematics, a total order or linear order is a partial order in which any two elements are comparable. That is, a total order is a binary relation on some set , which satisfies the following for all and in : (reflexive). If and then (transitive). If and then (antisymmetric). or (strongly connected, formerly called total). Reflexivity (1.) already follows from connectedness (4.), but is required explicitly by many authors nevertheless, to indicate the kinship to partial orders.
Order isomorphismIn the mathematical field of order theory, an order isomorphism is a special kind of monotone function that constitutes a suitable notion of isomorphism for partially ordered sets (posets). Whenever two posets are order isomorphic, they can be considered to be "essentially the same" in the sense that either of the orders can be obtained from the other just by renaming of elements. Two strictly weaker notions that relate to order isomorphisms are order embeddings and Galois connections.
Computational sociologyComputational sociology is a branch of sociology that uses computationally intensive methods to analyze and model social phenomena. Using computer simulations, artificial intelligence, complex statistical methods, and analytic approaches like social network analysis, computational sociology develops and tests theories of complex social processes through bottom-up modeling of social interactions. It involves the understanding of social agents, the interaction among these agents, and the effect of these interactions on the social aggregate.
Order topologyIn mathematics, an order topology is a certain topology that can be defined on any totally ordered set. It is a natural generalization of the topology of the real numbers to arbitrary totally ordered sets. If X is a totally ordered set, the order topology on X is generated by the subbase of "open rays" for all a, b in X. Provided X has at least two elements, this is equivalent to saying that the open intervals together with the above rays form a base for the order topology.
Social complexityIn sociology, social complexity is a conceptual framework used in the analysis of society. In the sciences, contemporary definitions of complexity are found in systems theory, wherein the phenomenon being studied has many parts and many possible arrangements of the parts; simultaneously, what is complex and what is simple are relative and change in time. Contemporary usage of the term complexity specifically refers to sociologic theories of society as a complex adaptive system, however, social complexity and its emergent properties are recurring subjects throughout the historical development of social philosophy and the study of social change.
Computational economicsComputational Economics is an interdisciplinary research discipline that involves computer science, economics, and management science. This subject encompasses computational modeling of economic systems. Some of these areas are unique, while others established areas of economics by allowing robust data analytics and solutions of problems that would be arduous to research without computers and associated numerical methods.
