One-class classifiers based on entropic spanning graphs

One-class classifiers offer valuable tools to assess the presence of outliers in data. In this paper, we propose a design methodology for one-class classifiers based on entropic spanning graphs. Our approach takes into account the possibility to process also non-numeric data by means of an embedding procedure. The spanning graph is learned on the embedded input data and the outcoming partition of vertices defines the classifier. The final partition is derived by exploiting a criterion based on mutual information minimization. Here, we compute the mutual information by using a convenient formulation provided in terms of the $\alpha$-Jensen difference. Once training is completed, in order to associate a confidence level with the classifier decision, a graph-based fuzzy model is constructed. The fuzzification process is based only on topological information of the vertices of the entropic spanning graph. As such, the proposed one-class classifier is suitable also for data characterized by complex geometric structures. We provide experiments on well-known benchmarks containing both feature vectors and labeled graphs. In addition, we apply the method to the protein solubility recognition problem by considering several representations for the input samples. Experimental results demonstrate the effectiveness and versatility of the proposed method with respect to other state-of-the-art approaches.Comment: Extended and revised version of the paper "One-Class Classification Through Mutual Information Minimization" presented at the 2016 IEEE IJCNN, Vancouver, Canad

Laplacian Mixture Modeling for Network Analysis and Unsupervised Learning on Graphs

Laplacian mixture models identify overlapping regions of influence in unlabeled graph and network data in a scalable and computationally efficient way, yielding useful low-dimensional representations. By combining Laplacian eigenspace and finite mixture modeling methods, they provide probabilistic or fuzzy dimensionality reductions or domain decompositions for a variety of input data types, including mixture distributions, feature vectors, and graphs or networks. Provable optimal recovery using the algorithm is analytically shown for a nontrivial class of cluster graphs. Heuristic approximations for scalable high-performance implementations are described and empirically tested. Connections to PageRank and community detection in network analysis demonstrate the wide applicability of this approach. The origins of fuzzy spectral methods, beginning with generalized heat or diffusion equations in physics, are reviewed and summarized. Comparisons to other dimensionality reduction and clustering methods for challenging unsupervised machine learning problems are also discussed.Comment: 13 figures, 35 reference

Distance-generalized Core Decomposition

The $k$-core of a graph is defined as the maximal subgraph in which every vertex is connected to at least $k$ other vertices within that subgraph. In this work we introduce a distance-based generalization of the notion of $k$-core, which we refer to as the $(k,h)$-core, i.e., the maximal subgraph in which every vertex has at least $k$ other vertices at distance $\leq h$ within that subgraph. We study the properties of the $(k,h)$-core showing that it preserves many of the nice features of the classic core decomposition (e.g., its connection with the notion of distance-generalized chromatic number) and it preserves its usefulness to speed-up or approximate distance-generalized notions of dense structures, such as $h$-club. Computing the distance-generalized core decomposition over large networks is intrinsically complex. However, by exploiting clever upper and lower bounds we can partition the computation in a set of totally independent subcomputations, opening the door to top-down exploration and to multithreading, and thus achieving an efficient algorithm

Network Density of States

Spectral analysis connects graph structure to the eigenvalues and eigenvectors of associated matrices. Much of spectral graph theory descends directly from spectral geometry, the study of differentiable manifolds through the spectra of associated differential operators. But the translation from spectral geometry to spectral graph theory has largely focused on results involving only a few extreme eigenvalues and their associated eigenvalues. Unlike in geometry, the study of graphs through the overall distribution of eigenvalues - the spectral density - is largely limited to simple random graph models. The interior of the spectrum of real-world graphs remains largely unexplored, difficult to compute and to interpret. In this paper, we delve into the heart of spectral densities of real-world graphs. We borrow tools developed in condensed matter physics, and add novel adaptations to handle the spectral signatures of common graph motifs. The resulting methods are highly efficient, as we illustrate by computing spectral densities for graphs with over a billion edges on a single compute node. Beyond providing visually compelling fingerprints of graphs, we show how the estimation of spectral densities facilitates the computation of many common centrality measures, and use spectral densities to estimate meaningful information about graph structure that cannot be inferred from the extremal eigenpairs alone.Comment: 10 pages, 7 figure