Lagrangean-Based Combinatorial Optimization for Large-Scale S3VMs.

The process of manually labeling instances, essential to a supervised classifier, can be expensive and time-consuming. In such a scenario the semisupervised approach, which makes the use of unlabeled patterns when building the decision function, is a more appealing choice. Indeed, large amounts of unlabeled samples often can be easily obtained.

Clustering methods for the optimization of atomic cluster structure.

In this paper, we propose a revised global optimization method and apply it to large scale cluster conformation problems. In the 1990s, the so-called clustering methods were considered among the most efficient general purpose global optimization techniques; however, their usage has quickly declined in recent years, mainly due to the inherent difficulties of clustering approaches in large dimensional spaces. Inspired from the machine learning literature, we redesigned clustering methods in order to deal with molecular structures in a reduced feature space.