Hyperbolic Geometry of Complex Networks

We develop a geometric framework to study the structure and function of complex networks. We assume that hyperbolic geometry underlies these networks, and we show that with this assumption, heterogeneous degree distributions and strong clustering in complex networks emerge naturally as simple reflections of the negative curvature and metric property of the underlying hyperbolic geometry. Conversely, we show that if a network has some metric structure, and if the network degree distribution is heterogeneous, then the network has an effective hyperbolic geometry underneath. We then establish a mapping between our geometric framework and statistical mechanics of complex networks. This mapping interprets edges in a network as non-interacting fermions whose energies are hyperbolic distances between nodes, while the auxiliary fields coupled to edges are linear functions of these energies or distances. The geometric network ensemble subsumes the standard configuration model and classical random graphs as two limiting cases with degenerate geometric structures. Finally, we show that targeted transport processes without global topology knowledge, made possible by our geometric framework, are maximally efficient, according to all efficiency measures, in networks with strongest heterogeneity and clustering, and that this efficiency is remarkably robust with respect to even catastrophic disturbances and damages to the network structure

Topological exploration of artificial neuronal network dynamics

One of the paramount challenges in neuroscience is to understand the dynamics of individual neurons and how they give rise to network dynamics when interconnected. Historically, researchers have resorted to graph theory, statistics, and statistical mechanics to describe the spatiotemporal structure of such network dynamics. Our novel approach employs tools from algebraic topology to characterize the global properties of network structure and dynamics. We propose a method based on persistent homology to automatically classify network dynamics using topological features of spaces built from various spike-train distances. We investigate the efficacy of our method by simulating activity in three small artificial neural networks with different sets of parameters, giving rise to dynamics that can be classified into four regimes. We then compute three measures of spike train similarity and use persistent homology to extract topological features that are fundamentally different from those used in traditional methods. Our results show that a machine learning classifier trained on these features can accurately predict the regime of the network it was trained on and also generalize to other networks that were not presented during training. Moreover, we demonstrate that using features extracted from multiple spike-train distances systematically improves the performance of our method

Protein Inter-Residue Distance Prediction Using Residual and Capsule Networks

The protein folding problem, also known as protein structure prediction, is the task of building three-dimensional protein models given their one-dimensional amino acid sequence. New methods that have been successfully used in the most recent CASP challenge have demonstrated that predicting a protein\u27s inter-residue distances is key to solving this problem. Various deep learning algorithms including fully convolutional neural networks and residual networks have been developed to solve the distance prediction problem. In this work, we develop a hybrid method based on residual networks and capsule networks. We demonstrate that our method can predict distances more accurately than the algorithms used in the state-of-the-art methods. Using a standard dataset of 3420 training proteins and an independent dataset of 150 test proteins, we show that our method can predict distances 51.06% more accurately than a standard residual network method, when accuracy of all long-range distances are evaluated using mean absolute error. To further validate our results, we demonstrate that three-dimensional models built using the distances predicted by our method are more accurate than models built using the distances predicted by residual networks. Overall, our results, for the first time, highlight the potential of capsule-residual hybrid networks for solving the protein inter-residue distance prediction problem

Asymmetries arising from the space-filling nature of vascular networks

Cardiovascular networks span the body by branching across many generations of vessels. The resulting structure delivers blood over long distances to supply all cells with oxygen via the relatively short-range process of diffusion at the capillary level. The structural features of the network that accomplish this density and ubiquity of capillaries are often called space-filling. There are multiple strategies to fill a space, but some strategies do not lead to biologically adaptive structures by requiring too much construction material or space, delivering resources too slowly, or using too much power to move blood through the system. We empirically measure the structure of real networks (18 humans and 1 mouse) and compare these observations with predictions of model networks that are space-filling and constrained by a few guiding biological principles. We devise a numerical method that enables the investigation of space-filling strategies and determination of which biological principles influence network structure. Optimization for only a single principle creates unrealistic networks that represent an extreme limit of the possible structures that could be observed in nature. We first study these extreme limits for two competing principles, minimal total material and minimal path lengths. We combine these two principles and enforce various thresholds for balance in the network hierarchy, which provides a novel approach that highlights the trade-offs faced by biological networks and yields predictions that better match our empirical data.Comment: 17 pages, 15 figure