Efficient Approaches for Solving the Large-Scale k-medoids Problem

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Maximum Margin Clustering for State Decomposition of Metastable Systems

When studying a metastable dynamical system, a prime concern is how to decompose the phase space into a set of metastable states. Unfortunately, the metastable state decomposition based on simulation or experimental data is still a challenge. The most popular and simplest approach is geometric clustering which is developed based on the classical clustering technique. However, the prerequisites of this approach are: (1) data are obtained from simulations or experiments which are in global equilibrium and (2) the coordinate system is appropriately selected. Recently, the kinetic clustering approach based on phase space discretization and transition probability estimation has drawn much attention due to its applicability to more general cases, but the choice of discretization policy is a difficult task. In this paper, a new decomposition method designated as maximum margin metastable clustering is proposed, which converts the problem of metastable state decomposition to a semi-supervised learning problem so that the large margin technique can be utilized to search for the optimal decomposition without phase space discretization. Moreover, several simulation examples are given to illustrate the effectiveness of the proposed method

Finding groups in data: Cluster analysis with ants

Wepresent in this paper a modification of Lumer and Faieta’s algorithm for data clustering. This approach mimics the clustering behavior observed in real ant colonies. This algorithm discovers automatically clusters in numerical data without prior knowledge of possible number of clusters. In this paper we focus on ant-based clustering algorithms, a particular kind of a swarm intelligent system, and on the effects on the final clustering by using during the classification differentmetrics of dissimilarity: Euclidean, Cosine, and Gower measures. Clustering with swarm-based algorithms is emerging as an alternative to more conventional clustering methods, such as e.g. k-means, etc. Among the many bio-inspired techniques, ant clustering algorithms have received special attention, especially because they still require much investigation to improve performance, stability and other key features that would make such algorithms mature tools for data mining. As a case study, this paper focus on the behavior of clustering procedures in those new approaches. The proposed algorithm and its modifications are evaluated in a number of well-known benchmark datasets. Empirical results clearly show that ant-based clustering algorithms performs well when compared to another techniques

An analytics-based heuristic decomposition of a bilevel multiple-follower cutting stock problem

This paper presents a new class of multiple-follower bilevel problems and a heuristic approach to solving them. In this new class of problems, the followers may be nonlinear, do not share constraints or variables, and are at most weakly constrained. This allows the leader variables to be partitioned among the followers. We show that current approaches for solving multiple-follower problems are unsuitable for our new class of problems and instead we propose a novel analytics-based heuristic decomposition approach. This approach uses Monte Carlo simulation and k-medoids clustering to reduce the bilevel problem to a single level, which can then be solved using integer programming techniques. The examples presented show that our approach produces better solutions and scales up better than the other approaches in the literature. Furthermore, for large problems, we combine our approach with the use of self-organising maps in place of k-medoids clustering, which significantly reduces the clustering times. Finally, we apply our approach to a real-life cutting stock problem. Here a forest harvesting problem is reformulated as a multiple-follower bilevel problem and solved using our approachThis publication has emanated from research conducted with the financial support of Science Foundation Ireland (SFI) under Grant Number SFI/12/RC/228