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.
Discriminative modelDiscriminative models, also referred to as conditional models, are a class of logistical models used for classification or regression. They distinguish decision boundaries through observed data, such as pass/fail, win/lose, alive/dead or healthy/sick. Typical discriminative models include logistic regression (LR), conditional random fields (CRFs) (specified over an undirected graph), decision trees, and many others. Typical generative model approaches include naive Bayes classifiers, Gaussian mixture models, variational autoencoders, generative adversarial networks and others.
Polynomial-time approximation schemeIn computer science (particularly algorithmics), a polynomial-time approximation scheme (PTAS) is a type of approximation algorithm for optimization problems (most often, NP-hard optimization problems). A PTAS is an algorithm which takes an instance of an optimization problem and a parameter ε > 0 and produces a solution that is within a factor 1 + ε of being optimal (or 1 – ε for maximization problems). For example, for the Euclidean traveling salesman problem, a PTAS would produce a tour with length at most (1 + ε)L, with L being the length of the shortest tour.
Approximation algorithmIn computer science and operations research, approximation algorithms are efficient algorithms that find approximate solutions to optimization problems (in particular NP-hard problems) with provable guarantees on the distance of the returned solution to the optimal one. Approximation algorithms naturally arise in the field of theoretical computer science as a consequence of the widely believed P ≠ NP conjecture. Under this conjecture, a wide class of optimization problems cannot be solved exactly in polynomial time.
Enterprise modellingEnterprise modelling is the abstract representation, description and definition of the structure, processes, information and resources of an identifiable business, government body, or other large organization. It deals with the process of understanding an organization and improving its performance through creation and analysis of enterprise models. This includes the modelling of the relevant business domain (usually relatively stable), business processes (usually more volatile), and uses of information technology within the business domain and its processes.
Ambient musicAmbient music is a genre of music that emphasizes tone and atmosphere over traditional musical structure or rhythm. It may lack net composition, beat, or structured melody. It uses textural layers of sound that can reward both passive and active listening and encourage a sense of calm or contemplation. The genre is said to evoke an "atmospheric", "visual", or "unobtrusive" quality. Nature soundscapes may be included, and the sounds of acoustic instruments such as the piano, strings and flute may be emulated through a synthesizer.
Information theoryInformation theory is the mathematical study of the quantification, storage, and communication of information. The field was originally established by the works of Harry Nyquist and Ralph Hartley, in the 1920s, and Claude Shannon in the 1940s. The field, in applied mathematics, is at the intersection of probability theory, statistics, computer science, statistical mechanics, information engineering, and electrical engineering. A key measure in information theory is entropy.
Fisher informationIn mathematical statistics, the Fisher information (sometimes simply called information) is a way of measuring the amount of information that an observable random variable X carries about an unknown parameter θ of a distribution that models X. Formally, it is the variance of the score, or the expected value of the observed information. The role of the Fisher information in the asymptotic theory of maximum-likelihood estimation was emphasized by the statistician Ronald Fisher (following some initial results by Francis Ysidro Edgeworth).
Enterprise architecture frameworkAn enterprise architecture framework (EA framework) defines how to create and use an enterprise architecture. An architecture framework provides principles and practices for creating and using the architecture description of a system. It structures architects' thinking by dividing the architecture description into domains, layers, or views, and offers models - typically matrices and diagrams - for documenting each view. This allows for making systemic design decisions on all the components of the system and making long-term decisions around new design requirements, sustainability, and support.
Bayesian probabilityBayesian probability (ˈbeɪziən or ˈbeɪʒən ) is an interpretation of the concept of probability, in which, instead of frequency or propensity of some phenomenon, probability is interpreted as reasonable expectation representing a state of knowledge or as quantification of a personal belief. The Bayesian interpretation of probability can be seen as an extension of propositional logic that enables reasoning with hypotheses; that is, with propositions whose truth or falsity is unknown.
Application softwareAn application program (software application, or application, or app for short) is a computer program designed to carry out a specific task other than one relating to the operation of the computer itself, typically to be used by end-users. Word processors, media players, and accounting software are examples. The collective noun "application software" refers to all applications collectively. The other principal classifications of software are system software, relating to the operation of the computer, and utility software ("utilities").
Mathematical analysisAnalysis is the branch of mathematics dealing with continuous functions, limits, and related theories, such as differentiation, integration, measure, infinite sequences, series, and analytic functions. These theories are usually studied in the context of real and complex numbers and functions. Analysis evolved from calculus, which involves the elementary concepts and techniques of analysis. Analysis may be distinguished from geometry; however, it can be applied to any space of mathematical objects that has a definition of nearness (a topological space) or specific distances between objects (a metric space).
