Application of Artificial Intelligence Methods to Computer Design of Inorganic Compounds

In this paper the main problems for computer design of materials, which would have predefined properties, with the use of artificial intelligence methods are presented. The DB on inorganic compound properties and the system of DBs on materials for electronics with completely assessed information: phase diagram DB of material systems with semiconducting phases and DB on acousto-optical, electro-optical, and nonlinear optical properties are considered. These DBs are a source of information for data analysis. Using the DBs and artificial intelligence methods we have predicted thousands of new compounds in ternary, quaternary and more complicated chemical systems and estimated some of their properties (crystal structure type, melting point, homogeneity region etc.). The comparison of our predictions with experimental data, obtained later, showed that the average reliability of predicted inorganic compounds exceeds 80%. The perspectives of computational material design with the use of artificial intelligence methods are considered.

Cluster Analysis of Some Clases of Objects by Application of the Test Recognition Algorithms

The paper treats the task for cluster analysis of a given assembly of objects on the basis of the information contained in the description table of these objects. Various methods of cluster analysis are briefly considered. Heuristic method and rules for classification of the given assembly of objects are presented for the cases when their division into classes and the number of classes is not known. The algorithm is checked by a test example and two program products (PP) – learning systems and software for company management. Analysis of the results is presented.

Application of Regularized Discriminant Analysis

2000 Mathematics Subject Classification: 62H30, 62P99

Analysis and Data Mining of Lead-Zinc Ore Data

This paper presents the results of our data mining study of Pb-Zn (lead-zinc) ore assay records from a mine enterprise in Bulgaria. We examined the dataset, cleaned outliers, visualized the data, and created dataset statistics. A Pb-Zn cluster data mining model was created for segmentation and prediction of Pb-Zn ore assay data. The Pb-Zn cluster data model consists of five clusters and DMX queries. We analyzed the Pb-Zn cluster content, size, structure, and characteristics. The set of the DMX queries allows for browsing and managing the clusters, as well as predicting ore assay records. A testing and validation of the Pb-Zn cluster data mining model was developed in order to show its reasonable accuracy before beingused in a production environment. The Pb-Zn cluster data mining model can be used for changes of the mine grinding and floatation processing parameters in almost real-time, which is important for the efficiency of the Pb-Zn ore beneficiation process. ACM Computing Classification System (1998): H.2.8, H.3.3.