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Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides

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Generalized linear model

In statistics, a generalized linear model (GLM) is a flexible generalization of ordinary linear regression. The GLM generalizes linear regression by allowing the linear model to be related to the response variable via a link function and by allowing the magnitude of the variance of each measurement to be a function of its predicted value. Generalized linear models were formulated by John Nelder and Robert Wedderburn as a way of unifying various other statistical models, including linear regression, logistic regression and Poisson regression.

Polynomial regression

In statistics, polynomial regression is a form of regression analysis in which the relationship between the independent variable x and the dependent variable y is modelled as an nth degree polynomial in x. Polynomial regression fits a nonlinear relationship between the value of x and the corresponding conditional mean of y, denoted E(y |x). Although polynomial regression fits a nonlinear model to the data, as a statistical estimation problem it is linear, in the sense that the regression function E(y | x) is linear in the unknown parameters that are estimated from the data.

Linear regression

In statistics, linear regression is a linear approach for modelling the relationship between a scalar response and one or more explanatory variables (also known as dependent and independent variables). The case of one explanatory variable is called simple linear regression; for more than one, the process is called multiple linear regression. This term is distinct from multivariate linear regression, where multiple correlated dependent variables are predicted, rather than a single scalar variable.

Kernel (statistics)

The term kernel is used in statistical analysis to refer to a window function. The term "kernel" has several distinct meanings in different branches of statistics. In statistics, especially in Bayesian statistics, the kernel of a probability density function (pdf) or probability mass function (pmf) is the form of the pdf or pmf in which any factors that are not functions of any of the variables in the domain are omitted. Note that such factors may well be functions of the parameters of the pdf or pmf.

Recurrent neural network

A recurrent neural network (RNN) is one of the two broad types of artificial neural network, characterized by direction of the flow of information between its layers. In contrast to uni-directional feedforward neural network, it is a bi-directional artificial neural network, meaning that it allows the output from some nodes to affect subsequent input to the same nodes. Their ability to use internal state (memory) to process arbitrary sequences of inputs makes them applicable to tasks such as unsegmented, connected handwriting recognition or speech recognition.

Kernel method

In machine learning, kernel machines are a class of algorithms for pattern analysis, whose best known member is the support-vector machine (SVM). These methods involve using linear classifiers to solve nonlinear problems. The general task of pattern analysis is to find and study general types of relations (for example clusters, rankings, principal components, correlations, classifications) in datasets.

Hopfield network

A Hopfield network (or Amari-Hopfield network, Ising model of a neural network or Ising–Lenz–Little model) is a form of recurrent artificial neural network and a type of spin glass system popularised by John Hopfield in 1982 as described by Shun'ichi Amari in 1972 and by Little in 1974 based on Ernst Ising's work with Wilhelm Lenz on the Ising model. Hopfield networks serve as content-addressable ("associative") memory systems with binary threshold nodes, or with continuous variables.

Simple linear regression

In statistics, simple linear regression is a linear regression model with a single explanatory variable. That is, it concerns two-dimensional sample points with one independent variable and one dependent variable (conventionally, the x and y coordinates in a Cartesian coordinate system) and finds a linear function (a non-vertical straight line) that, as accurately as possible, predicts the dependent variable values as a function of the independent variable. The adjective simple refers to the fact that the outcome variable is related to a single predictor.

Nonlinear system identification

System identification is a method of identifying or measuring the mathematical model of a system from measurements of the system inputs and outputs. The applications of system identification include any system where the inputs and outputs can be measured and include industrial processes, control systems, economic data, biology and the life sciences, medicine, social systems and many more. A nonlinear system is defined as any system that is not linear, that is any system that does not satisfy the superposition principle.

Feedforward neural network

A feedforward neural network (FNN) is one of the two broad types of artificial neural network, characterized by direction of the flow of information between its layers. Its flow is uni-directional, meaning that the information in the model flows in only one direction—forward—from the input nodes, through the hidden nodes (if any) and to the output nodes, without any cycles or loops, in contrast to recurrent neural networks, which have a bi-directional flow.