Kohonen algorithm

Kohonen network Conceptual clustering Principal Component Analysis (PCA) Decision trees Partial Least Squares (PLS) Multiple Linear Regression (MLR) Counter-propagation networks Back-propagation networks Genetic algorithms (GA)... 

Many different types of networks have been developed. They all consist of small units, neurons, that are interconnected. The local behaviour of these units determines the overall behaviour of the network. The most common is the multi-layer-feed-forward network (MLF). Recently, other networks such as the Kohonen, radial basis function and ART networks have raised interest in the chemical application area. In this chapter we focus on the MLF networks. The principle of some of the other networks are explained and we also discuss how these networks relate with other algorithms, described elsewhere in this book. 

Due to the Kohonen learning algorithm, the individual weight vectors in the Kohonen map are arranged and oriented in such a way that the structure of the input space, i.e. the topology is preserved as well as possible in the resulting... 

The growing cell structure algorithm is a variant of a Kohonen network, so the GCS displays several similarities with the SOM. The most distinctive feature of the GCS is that the topology is self-adaptive, adjusting as the algorithm learns about classes in the data. So, unlike the SOM, in which the layout of nodes is regular and predefined, the GCS is not constrained in advance to a particular size of network or a certain lattice geometry. 

Just as there are several varieties of evolutionary algorithm, so the neural network is available in several flavors. We shall consider feedforward networks and, briefly, Kohonen networks and growing cell structures, but Hop-field networks, which we shall not cover in this chapter, also find some application in science.31... 

It can be shown that the unsupervised learning methodology based on Kohonen self-organizing maps algorithm can be effectively used for differentiation between various receptor-specific groups of GPCR ligands. The method is similar to that described in Section 12.2.6. 

There are literally dozens of kinds of neural network architectures in use. A simple taxonomy divides them into two types based on learning algorithms (supervised, unsupervised) and into subtypes based upon whether they are feed-forward or feedback type networks. In this chapter, two other commonly used architectures, radial basis functions and Kohonen self-organizing architectures, will be discussed. Additionally, variants of multilayer perceptrons that have enhanced statistical properties will be presented. 

The hidden layer parameters to be determined are the parameters of hyperellipsoids that partition the input data into discrete clusters or regions. The parameters locate the centers (i.e., the means) of each ellipsoid region s basis function and describe the extent or spread of the region (i.e., the variance or standard deviations). There are many ways of doing this. One is to use random samples of the input data as the cluster centers and add or subtract clusters as needed to best represent the data. Perhaps the most common method is called the K-means algorithm (Kohonen, 1997 Linde et al 1980) ... 

K-means algorithm An iterative technique for automatic clustering. The first step in a Kohonen selfOorganizing map algorithm. 

Kohonen self-organizing map An unsupervised learning method of clustering, based on the k-means algorithm, similar to the first stage of radial basis function networks. Self-organized maps are used for classification and clustering. 

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