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We investigate exponential families of random graph distributions as a framework for systematic quantification of structure in networks. In this paper we restrict ourselves to undirected unlabeled graphs. For these graphs, the counts of subgraphs with no more than k links are a sufficient statistics for the exponential families of graphs with interactions between at most k links. In this framework we investigate the dependencies between several observables commonly used to quantify structure in networks, such as the degree distribution, cluster and assortativity coefficients.
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The success of deep learning has revealed the application potential of neural networks across the sciences and opened up fundamental theoretical problems. In particular, the fact that learning algorithms based on simple variants of gradient methods are able to find near-optimal minima of highly nonconvex loss functions is an unexpected feature of neural networks which needs to be understood in depth. Such algorithms are able to fit the data almost perfectly, even in the presence of noise, and yet they have excellent predictive capabilities. Several empirical results have shown a reproducible correlation between the so-called flatness of the minima achieved by the algorithms and the generalization performance. At the same time, statistical physics results have shown that in nonconvex networks a multitude of narrow minima may coexist with a much smaller number of wide flat minima, which generalize well. Here we show that wide flat minima arise from the coalescence of minima that correspond to high-margin classifications. Despite being exponentially rare compared to zero-margin solutions, high-margin minima tend to concentrate in particular regions. These minima are in turn surrounded by other solutions of smaller and smaller margin, leading to dense regions of solutions over long distances. Our analysis also provides an alternative analytical method for estimating when flat minima appear and when algorithms begin to find solutions, as the number of model parameters varies.
Networks with fat-tailed degree distributions are omnipresent across many scientific disciplines. Such systems are characterized by so-called hubs, specific nodes with high numbers of connections to other nodes. By this property, they are expected to be key to the collective network behavior, e.g., in Ising models on such complex topologies. This applies in particular to the transition into a globally ordered network state, which thereby proceeds in a hierarchical fashion, and with a non-trivial local structure. Standard mean-field theory of Ising models on scale-free networks underrates the presence of the hubs, while nevertheless providing remarkably reliable estimates for the onset of global order. Here, we expose that a spurious self-feedback effect, inherent to mean-field theory, underlies this apparent paradox. More specifically, we demonstrate that higher order interaction effects precisely cancel the self-feedback on the hubs, and we expose the importance of hubs for the distinct onset of local versus global order in the network. Due to the generic nature of our arguments, we expect the mechanism that we uncover for the archetypal case of Ising networks of the Barabasi-Albert type to be also relevant for other systems with a strongly hierarchical underlying network structure.
We study spectra of directed networks with inhibitory and excitatory couplings. We investigate in particular eigenvector localization properties of various model networks for different value of correlation among their entries. Spectra of random networks, with completely uncorrelated entries show a circular distribution with delocalized eigenvectors, where as networks with correlated entries have localized eigenvectors. In order to understand the origin of localization we track the spectra as a function of connection probability and directionality. As connections are made directed, eigenstates start occurring in complex conjugate pairs and the eigenvalue distribution combined with the localization measure shows a rich pattern. Moreover, for a very well distinguished community structure, the whole spectrum is localized except few eigenstates at boundary of the circular distribution. As the network deviates from the community structure there is a sudden change in the localization property for a very small value of deformation from the perfect community structure. We search for this effect for the whole range of correlation strengths and for different community configurations. Furthermore, we investigate spectral properties of a metabolic network of zebrafish, and compare them with those of the model networks.
Amorphous materials are coming within reach of realistic computer simulations, but new approaches are needed to fully understand their intricate atomic structures. Here, we show how machine-learning (ML)-based techniques can give new, quantitative chemical insight into the atomic-scale structure of amorphous silicon (a-Si). Based on a similarity function (kernel), we define a structural metric that unifies the description of nearest- and next-nearest-neighbor environments in the amorphous state. We apply this to an ensemble of a-Si networks, generated in melt-quench simulations with an ML-based interatomic potential, in which we tailor the degree of ordering by varying the quench rates down to $10^{10}$ K/s (leading to a structural model that is lower in energy than the established WWW network). We then show how machine-learned atomic energies permit a chemical interpretation, associating coordination defects in a-Si with distinct energetic stability regions. The approach is straightforward and inexpensive to apply to arbitrary structural models, and it is therefore expected to have more general significance for developing a quantitative understanding of the amorphous state.
It has been shown that the communities of complex networks often overlap with each other. However, there is no effective method to quantify the overlapping community structure. In this paper, we propose a metric to address this problem. Instead of assuming that one node can only belong to one community, our metric assumes that a maximal clique only belongs to one community. In this way, the overlaps between communities are allowed. To identify the overlapping community structure, we construct a maximal clique network from the original network, and prove that the optimization of our metric on the original network is equivalent to the optimization of Newmans modularity on the maximal clique network. Thus the overlapping community structure can be identified through partitioning the maximal clique network using any modularity optimization method. The effectiveness of our metric is demonstrated by extensive tests on both the artificial networks and the real world networks with known community structure. The application to the word association network also reproduces excellent results.
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