Assembling novel protein folds from super-secondary structural fragments

The results of applying a fragment-based protein tertiary structure prediction method to the prediction of 14 CASP5 target domains are described. The method is based on the assembly of supersecondary structural fragments taken from highly resolved protein structures using a simulated annealing algorithm. A number of good predictions for proteins with novel folds were produced, although not always as the first model. For two fold recognition targets, FRAGFOLD produced the most accurate model in both cases, despite the fact that the predictions were not based on a template structure. Although clear progress has been made in improving FRAGFOLD since CASP4, the ranking of final models still seems to be the main problem that needs to be addressed before the next CASP experiment

Improved SOM learning using simulated annealing

Self-Organizing Map (SOM) algorithm has been extensively used for analysis and classification problems. For this kind of problems, datasets become more and more large and it is necessary to speed up the SOM learning. In this paper we present an application of the Simulated Annealing (SA) procedure to the SOM learning algorithm. The goal of the algorithm is to obtain fast learning and better performance in terms of matching of input data and regularity of the obtained map. An advantage of the proposed technique is that it preserves the simplicity of the basic algorithm. Several tests, carried out on different large datasets, demonstrate the effectiveness of the proposed algorithm in comparison with the original SOM and with some of its modification introduced to speed-up the learning.

Simulated annealing technique for fast learning of SOM networks

The Self-Organizing Map (SOM) is a popular unsupervised neural network able to provide effective clustering and data visualization for multidimensional input datasets. In this paper, we present an application of the simulated annealing procedure to the SOM learning algorithm with the aim to obtain a fast learning and better performances in terms of quantization error. The proposed learning algorithm is called Fast Learning Self-Organized Map, and it does not affect the easiness of the basic learning algorithm of the standard SOM. The proposed learning algorithm also improves the quality of resulting maps by providing better clustering quality and topology preservation of input multi-dimensional data. Several experiments are used to compare the proposed approach with the original algorithm and some of its modification and speed-up techniques.