Surface Networks

We study data-driven representations for three-dimensional triangle meshes, which are one of the prevalent objects used to represent 3D geometry. Recent works have developed models that exploit the intrinsic geometry of manifolds and graphs, namely the Graph Neural Networks (GNNs) and its spectral variants, which learn from the local metric tensor via the Laplacian operator. Despite offering excellent sample complexity and built-in invariances, intrinsic geometry alone is invariant to isometric deformations, making it unsuitable for many applications. To overcome this limitation, we propose several upgrades to GNNs to leverage extrinsic differential geometry properties of three-dimensional surfaces, increasing its modeling power. In particular, we propose to exploit the Dirac operator, whose spectrum detects principal curvature directions --- this is in stark contrast with the classical Laplace operator, which directly measures mean curvature. We coin the resulting models \emph{Surface Networks (SN)}. We prove that these models define shape representations that are stable to deformation and to discretization, and we demonstrate the efficiency and versatility of SNs on two challenging tasks: temporal prediction of mesh deformations under non-linear dynamics and generative models using a variational autoencoder framework with encoders/decoders given by SNs

A generative model for protein contact networks

In this paper we present a generative model for protein contact networks. The soundness of the proposed model is investigated by focusing primarily on mesoscopic properties elaborated from the spectra of the graph Laplacian. To complement the analysis, we study also classical topological descriptors, such as statistics of the shortest paths and the important feature of modularity. Our experiments show that the proposed model results in a considerable improvement with respect to two suitably chosen generative mechanisms, mimicking with better approximation real protein contact networks in terms of diffusion properties elaborated from the Laplacian spectra. However, as well as the other considered models, it does not reproduce with sufficient accuracy the shortest paths structure. To compensate this drawback, we designed a second step involving a targeted edge reconfiguration process. The ensemble of reconfigured networks denotes improvements that are statistically significant. As a byproduct of our study, we demonstrate that modularity, a well-known property of proteins, does not entirely explain the actual network architecture characterizing protein contact networks. In fact, we conclude that modularity, intended as a quantification of an underlying community structure, should be considered as an emergent property of the structural organization of proteins. Interestingly, such a property is suitably optimized in protein contact networks together with the feature of path efficiency.Comment: 18 pages, 67 reference

Encoding Robust Representation for Graph Generation

Generative networks have made it possible to generate meaningful signals such as images and texts from simple noise. Recently, generative methods based on GAN and VAE were developed for graphs and graph signals. However, the mathematical properties of these methods are unclear, and training good generative models is difficult. This work proposes a graph generation model that uses a recent adaptation of Mallat's scattering transform to graphs. The proposed model is naturally composed of an encoder and a decoder. The encoder is a Gaussianized graph scattering transform, which is robust to signal and graph manipulation. The decoder is a simple fully connected network that is adapted to specific tasks, such as link prediction, signal generation on graphs and full graph and signal generation. The training of our proposed system is efficient since it is only applied to the decoder and the hardware requirements are moderate. Numerical results demonstrate state-of-the-art performance of the proposed system for both link prediction and graph and signal generation.Comment: 9 pages, 7 figures, 6 table

Metrics for Graph Comparison: A Practitioner's Guide

Comparison of graph structure is a ubiquitous task in data analysis and machine learning, with diverse applications in fields such as neuroscience, cyber security, social network analysis, and bioinformatics, among others. Discovery and comparison of structures such as modular communities, rich clubs, hubs, and trees in data in these fields yields insight into the generative mechanisms and functional properties of the graph. Often, two graphs are compared via a pairwise distance measure, with a small distance indicating structural similarity and vice versa. Common choices include spectral distances (also known as $\lambda$ distances) and distances based on node affinities. However, there has of yet been no comparative study of the efficacy of these distance measures in discerning between common graph topologies and different structural scales. In this work, we compare commonly used graph metrics and distance measures, and demonstrate their ability to discern between common topological features found in both random graph models and empirical datasets. We put forward a multi-scale picture of graph structure, in which the effect of global and local structure upon the distance measures is considered. We make recommendations on the applicability of different distance measures to empirical graph data problem based on this multi-scale view. Finally, we introduce the Python library NetComp which implements the graph distances used in this work

Anomaly Detection on Graph Time Series

In this paper, we use variational recurrent neural network to investigate the anomaly detection problem on graph time series. The temporal correlation is modeled by the combination of recurrent neural network (RNN) and variational inference (VI), while the spatial information is captured by the graph convolutional network. In order to incorporate external factors, we use feature extractor to augment the transition of latent variables, which can learn the influence of external factors. With the target function as accumulative ELBO, it is easy to extend this model to on-line method. The experimental study on traffic flow data shows the detection capability of the proposed method