A variety of clustering algorithms have recently been proposed to handle data that is not linearly separable; spectral clustering and kernel k-means are two of the main methods. In this paper, we discuss an equivalence between the objective functions used in these seemingly different methods--in particular, a general weighted kernel k-means objective is mathematically equivalent to a weighted graph clustering objective. We exploit this equivalence to develop a fast, high-quality multilevel algorithm that directly optimizes various weighted graph clustering objectives, such as the popular ratio cut, normalized cut, and ratio association criteria. This eliminates the need for any eigenvector computation for graph clustering problems, which can be prohibitive for very large graphs. Previous multilevel graph partitioning methods, such as Metis, have suffered from the restriction of equal-sized clusters; our multilevel algorithm removes this restriction by using kernel k-means to optimize weighted graph cuts. Experimental results show that our multilevel algorithm outperforms a state-of-the-art spectral clustering algorithm in terms of speed, memory usage, and quality. We demonstrate that our algorithm is applicable to large-scale clustering tasks such as image segmentation, social network analysis and gene network analysis.

Graph clustering (also called graph partitioning) --- clustering the nodes of a graph --- is an important problem in diverse data mining applications. Traditional approaches involve optimization of graph clustering objectives such as normalized cut or ratio association; spectral methods are widely used for these objectives, but they require eigenvector computation which can be slow. Recently, graph clustering with a general cut objective has been shown to be mathematically equivalent to an appropriate weighted kernel k-means objective function. In this paper, we exploit this equivalence to develop a very fast multilevel algorithm for graph clustering. Multilevel approaches involve coarsening, initial partitioning and refinement phases, all of which may be specialized to different graph clustering objectives. Unlike existing multilevel clustering approaches, such as METIS, our algorithm does not constrain the cluster sizes to be nearly equal. Our approach gives a theoretical guarantee that the refinement step decreases the graph cut objective under consideration. Experiments show that we achieve better final objective function values as compared to a state-of-the-art spectral clustering algorithm: on a series of benchmark test graphs with up to thirty thousand nodes and one million edges, our algorithm achieves lower normalized cut values in 67% of our experiments and higher ratio association values in 100% of our experiments. Furthermore, on large graphs, our algorithm is significantly faster than spectral methods. Finally, our algorithm requires far less memory than spectral methods; we cluster a 1.2 million node movie network into 5000 clusters, which due to memory requirements cannot be done directly with spectral methods.

Kernel k-means and spectral clustering have both been used to identify clusters that are non-linearly separable in input space. Despite significant research, these methods have remained only loosely related. In this paper, we give an explicit theoretical connection between them. We show the generality of the weighted kernel k-means objective function, and derive the spectral clustering objective of normalized cut as a special case. Given a positive definite similarity matrix, our results lead to a novel weighted kernel k-means algorithm that monotonically decreases the normalized cut. This has important implications: a) eigenvector-based algorithms, which can be computationally prohibitive, are not essential for minimizing normalized cuts, b) various techniques, such as local search and acceleration schemes, may be used to improve the quality as well as speed of kernel k-means. Finally, we present results on several interesting data sets, including diametrical clustering of large gene-expression matrices and a handwriting recognition data set.

Microarray experiments have been extensively used for simultaneously measuring DNA expression levels of thousands of genes in genome research. A key step in the analysis of gene expression data is the clustering of genes into groups that show similar expression values over a range of conditions. Since only a small subset of the genes participate in any cellular process of interest, by focusing on subsets of genes and conditions, we can lower the noise induced by other genes and conditions — a co-cluster characterizes such a subset of interest. Cheng and Church [3] introduced an effective measure of co-cluster quality based on mean squared residue. In this paper, we use two similar squared residue measures and propose two fast k-means like co-clustering algorithms corresponding to the two residue measures. Our algorithms discover k row clusters and l column clusters simultaneously while monotonically decreasing the respective squared residues. Our co-clustering algorithms inherit the simplicity, efficiency and wide applicability of the k-means algorithm. Minimizing the residues may also be formulated as trace optimization problems that allow us to obtain a spectral relaxation that we use for a principled initialization for our iterative algorithms. We further enhance our algorithms by an incremental local search strategy that helps avoid empty clusters and escape poor local minima. We illustrate co-clustering results on a yeast cell cycle dataset and a human B-cell lymphoma dataset. Our experiments show that our co-clustering algorithms are efficient and are able to discover coherent co-clusters.

A novel approach to clustering cooccurrence data poses it as an optimization problem in information theory which minimizes the resulting loss in mutual information. A divisive clustering algorithm that monotonically reduces this loss function was recently proposed. We show that sparse high-dimensional data presents special challenges which can result in the algorithm getting stuck at poor local minima. We propose two solutions to this problem: (a) a "prior" to overcome infinite relative entropy values as in the supervised Naive Bayes algorithm, and (b) local search to escape local minima. Finally, we combine these solutions to get a robust algorithm that is computationally efficient. We present experimental results to show that the proposed method is effective in clustering document collections and outperform previous information-theoretic clustering approaches.

The k-means algorithm with cosine similarity, also known as the spherical k-means algorithm, is a popular method for clustering document collections. However spherical k-means can often yield qualitatively poor results, especially when cluster sizes are small, say 25-30 documents per cluster, where it tends to get stuck at a local maximum far away from the optimal solution. In this paper, we present a local search procedure, which we call 'first-variation" that refines a given clustering by incrementally moving data points between clusters, thus achieving a higher objective function value. An enhancement of first variation allows a chain of such moves in a Kernighan-Lin fashion and leads to a better local maximum. Combining the enhanced first-variation with spherical k-means yields a powerful "ping-pong" strategy that often qualitatively improves k-means clustering and is computationally efficient. We present several experimental results to highlight the improvement achieved by our proposed algorithm in clustering high-dimensional and sparse text data.