A diagonal measure and a local distance matrix to display relations between objects and variables

A diagonal measure and a local distance matrix to display relations between objects and variables
Journal of Chemometrics 2010, 24, 14-21
Gergely Tóth and Pál Szepesváry

Proper permutation of data matrix rows and columns may result in plots showing striking information on the objects and variables under investigation. To control the permutation first, a diagonal matrix measure D was defined expressing the size relations of the matrix elements. D is essentially the absolute norm of a matrix where the matrix elements are weighted by their distance to the matrix diagonal. Changing the order of rows and columns increases or decreases D. Monte Carlo technique was used to achieve maximum D in the case of the object distance matrix or even minimal D in the case of the variable correlation matrix to get similar objects or variables close together. Secondly, a local distance matrix was defined, where an element reflects the distances of neighboring objects in a limited subspace of the variables. Due to the maximization of D in the local distance matrix by row and column changes of the original data matrix, the similar objects were arranged close to each other and simultaneously the variables responsible for their similarity were collected close to the diagonal part defined by these objects. This combination of the diagonal measure and the local distance matrix seems to be an efficient tool in the exploration of hidden similarities of a data matrix.