Principal component analysisPrincipal component analysis (PCA) is a popular technique for analyzing large datasets containing a high number of dimensions/features per observation, increasing the interpretability of data while preserving the maximum amount of information, and enabling the visualization of multidimensional data. Formally, PCA is a statistical technique for reducing the dimensionality of a dataset. This is accomplished by linearly transforming the data into a new coordinate system where (most of) the variation in the data can be described with fewer dimensions than the initial data.
Kernel principal component analysisIn the field of multivariate statistics, kernel principal component analysis (kernel PCA) is an extension of principal component analysis (PCA) using techniques of kernel methods. Using a kernel, the originally linear operations of PCA are performed in a reproducing kernel Hilbert space. Recall that conventional PCA operates on zero-centered data; that is, where is one of the multivariate observations.
Nonlinear dimensionality reductionNonlinear dimensionality reduction, also known as manifold learning, refers to various related techniques that aim to project high-dimensional data onto lower-dimensional latent manifolds, with the goal of either visualizing the data in the low-dimensional space, or learning the mapping (either from the high-dimensional space to the low-dimensional embedding or vice versa) itself. The techniques described below can be understood as generalizations of linear decomposition methods used for dimensionality reduction, such as singular value decomposition and principal component analysis.
CorrelationIn statistics, correlation or dependence is any statistical relationship, whether causal or not, between two random variables or bivariate data. Although in the broadest sense, "correlation" may indicate any type of association, in statistics it usually refers to the degree to which a pair of variables are linearly related. Familiar examples of dependent phenomena include the correlation between the height of parents and their offspring, and the correlation between the price of a good and the quantity the consumers are willing to purchase, as it is depicted in the so-called demand curve.
Independent component analysisIn signal processing, independent component analysis (ICA) is a computational method for separating a multivariate signal into additive subcomponents. This is done by assuming that at most one subcomponent is Gaussian and that the subcomponents are statistically independent from each other. ICA is a special case of blind source separation. A common example application is the "cocktail party problem" of listening in on one person's speech in a noisy room.
Group representationIn the mathematical field of representation theory, group representations describe abstract groups in terms of bijective linear transformations of a vector space to itself (i.e. vector space automorphisms); in particular, they can be used to represent group elements as invertible matrices so that the group operation can be represented by matrix multiplication. In chemistry, a group representation can relate mathematical group elements to symmetric rotations and reflections of molecules.
ZeoliteZeolites are microporous, crystalline aluminosilicate materials commonly used as commercial adsorbents and catalysts. They mainly consist of silicon, aluminium, oxygen, and have the general formula M1/nn+(AlO2)-(SiO2)x・yH2O where M1/nn+ is either a metal ion or H+. These positive ions can be exchanged for others in a contacting electrolyte solution. H+ exchanged zeolites are particularly useful as solid acid catalysts.
Representation theoryRepresentation theory is a branch of mathematics that studies abstract algebraic structures by representing their elements as linear transformations of vector spaces, and studies modules over these abstract algebraic structures. In essence, a representation makes an abstract algebraic object more concrete by describing its elements by matrices and their algebraic operations (for example, matrix addition, matrix multiplication).
Irreducible representationIn mathematics, specifically in the representation theory of groups and algebras, an irreducible representation or irrep of an algebraic structure is a nonzero representation that has no proper nontrivial subrepresentation , with closed under the action of . Every finite-dimensional unitary representation on a Hilbert space is the direct sum of irreducible representations. Irreducible representations are always indecomposable (i.e. cannot be decomposed further into a direct sum of representations), but the converse may not hold, e.
Structural genomicsStructural genomics seeks to describe the 3-dimensional structure of every protein encoded by a given genome. This genome-based approach allows for a high-throughput method of structure determination by a combination of experimental and modeling approaches. The principal difference between structural genomics and traditional structural prediction is that structural genomics attempts to determine the structure of every protein encoded by the genome, rather than focusing on one particular protein.
Structural alignmentStructural alignment attempts to establish homology between two or more polymer structures based on their shape and three-dimensional conformation. This process is usually applied to protein tertiary structures but can also be used for large RNA molecules. In contrast to simple structural superposition, where at least some equivalent residues of the two structures are known, structural alignment requires no a priori knowledge of equivalent positions.
Semisimple representationIn mathematics, specifically in representation theory, a semisimple representation (also called a completely reducible representation) is a linear representation of a group or an algebra that is a direct sum of simple representations (also called irreducible representations). It is an example of the general mathematical notion of semisimplicity. Many representations that appear in applications of representation theory are semisimple or can be approximated by semisimple representations.
Machine learningMachine learning (ML) is an umbrella term for solving problems for which development of algorithms by human programmers would be cost-prohibitive, and instead the problems are solved by helping machines 'discover' their 'own' algorithms, without needing to be explicitly told what to do by any human-developed algorithms. Recently, generative artificial neural networks have been able to surpass results of many previous approaches.
Adjoint representationIn mathematics, the adjoint representation (or adjoint action) of a Lie group G is a way of representing the elements of the group as linear transformations of the group's Lie algebra, considered as a vector space. For example, if G is , the Lie group of real n-by-n invertible matrices, then the adjoint representation is the group homomorphism that sends an invertible n-by-n matrix to an endomorphism of the vector space of all linear transformations of defined by: . For any Lie group, this natural representation is obtained by linearizing (i.
Structural bioinformaticsStructural bioinformatics is the branch of bioinformatics that is related to the analysis and prediction of the three-dimensional structure of biological macromolecules such as proteins, RNA, and DNA. It deals with generalizations about macromolecular 3D structures such as comparisons of overall folds and local motifs, principles of molecular folding, evolution, binding interactions, and structure/function relationships, working both from experimentally solved structures and from computational models.
Structural linguisticsStructural linguistics, or structuralism, in linguistics, denotes schools or theories in which language is conceived as a self-contained, self-regulating semiotic system whose elements are defined by their relationship to other elements within the system. It is derived from the work of Swiss linguist Ferdinand de Saussure and is part of the overall approach of structuralism. Saussure's Course in General Linguistics, published posthumously in 1916, stressed examining language as a dynamic system of interconnected units.
Cross-correlationIn signal processing, cross-correlation is a measure of similarity of two series as a function of the displacement of one relative to the other. This is also known as a sliding dot product or sliding inner-product. It is commonly used for searching a long signal for a shorter, known feature. It has applications in pattern recognition, single particle analysis, electron tomography, averaging, cryptanalysis, and neurophysiology. The cross-correlation is similar in nature to the convolution of two functions.
Pearson correlation coefficientIn statistics, the Pearson correlation coefficient (PCC) is a correlation coefficient that measures linear correlation between two sets of data. It is the ratio between the covariance of two variables and the product of their standard deviations; thus, it is essentially a normalized measurement of the covariance, such that the result always has a value between −1 and 1. As with covariance itself, the measure can only reflect a linear correlation of variables, and ignores many other types of relationships or correlations.
Unitary representationIn mathematics, a unitary representation of a group G is a linear representation π of G on a complex Hilbert space V such that π(g) is a unitary operator for every g ∈ G. The general theory is well-developed in the case that G is a locally compact (Hausdorff) topological group and the representations are strongly continuous. The theory has been widely applied in quantum mechanics since the 1920s, particularly influenced by Hermann Weyl's 1928 book Gruppentheorie und Quantenmechanik.
Self-organizing mapA self-organizing map (SOM) or self-organizing feature map (SOFM) is an unsupervised machine learning technique used to produce a low-dimensional (typically two-dimensional) representation of a higher dimensional data set while preserving the topological structure of the data. For example, a data set with variables measured in observations could be represented as clusters of observations with similar values for the variables.
