Grass-roots optimization of coupled oscillator networks.

Despite the prevalence of biological and physical systems for which synchronization is critical, existing theory for optimizing synchrony depends on global information and does not sufficiently explore local mechanisms that enhance synchronization. Thus, there is a lack of understanding for the self-organized, collective processes that aim to optimize or repair synchronous systems, e.g., the dynamics of paracrine signaling within cardiac cells. Here we present "grass-roots" optimization of synchronization, which is a multiscale mechanism in which local optimizations of smaller subsystems cooperate to collectively optimize an entire system. Considering models of cardiac tissue and a power grid, we show that grass-roots-optimized systems are comparable to globally optimized systems, but they also have the added benefit of being robust to targeted attacks or subsystem islanding. Our findings motivate and support further investigation into the physics of local mechanisms that can support self-optimization for complex systems.

Persistent homology of convection cycles in network flows.

Convection is a well-studied topic in fluid dynamics, yet it is less understood in the context of network flows. Here, we incorporate techniques from topological data analysis (namely, persistent homology) to automate the detection and characterization of convective flows (also called cyclic or chiral flows) over networks, particularly those that arise for irreversible Markov chains. As two applications, we study convection cycles arising under the PageRank algorithm and we investigate chiral edge flows for a stochastic model of a bimonomer's configuration dynamics. Our experiments highlight how system parameters-e.g., the teleportation rate for PageRank and the transition rates of external and internal state changes for a monomer-can act as homology regularizers of convection, which we summarize with persistence barcodes and homological bifurcation diagrams. Our approach establishes a connection between the study of convection cycles and homology, the branch of mathematics that formally studies cycles, which has diverse potential applications throughout the sciences and engineering.

Balanced Hodge Laplacians optimize consensus dynamics over simplicial complexes.

Despite the vast literature on network dynamics, we still lack basic insights into dynamics on higher-order structures (e.g., edges, triangles, and more generally, k-dimensional "simplices") and how they are influenced through higher-order interactions. A prime example lies in neuroscience where groups of neurons (not individual ones) may provide building blocks for neurocomputation. Here, we study consensus dynamics on edges in simplicial complexes using a type of Laplacian matrix called a Hodge Laplacian, which we generalize to allow higher- and lower-order interactions to have different strengths. Using techniques from algebraic topology, we study how collective dynamics converge to a low-dimensional subspace that corresponds to the homology space of the simplicial complex. We use the Hodge decomposition to show that higher- and lower-order interactions can be optimally balanced to maximally accelerate convergence and that this optimum coincides with a balancing of dynamics on the curl and gradient subspaces. We additionally explore the effects of network topology, finding that consensus over edges is accelerated when two-simplices are well dispersed, as opposed to clustered together.

The role of alcohol outlet visits derived from mobile phone location data in enhancing domestic violence prediction at the neighborhood level.

Domestic violence (DV) is a serious public health issue, with 1 in 3 women and 1 in 4 men experiencing some form of partner-related violence every year. Existing research has shown a strong association between alcohol use and DV at the individual level. Accordingly, alcohol use could also be a predictor for DV at the neighborhood level, helping identify the neighborhoods where DV is more likely to happen. However, it is difficult and costly to collect data that can represent neighborhood-level alcohol use especially for a large geographic area. In this study, we propose to derive information about the alcohol outlet visits of the residents of different neighborhoods from anonymized mobile phone location data, and investigate whether the derived visits can help better predict DV at the neighborhood level. We use mobile phone data from the company SafeGraph, which is freely available to researchers and which contains information about how people visit various points-of-interest including alcohol outlets. In such data, a visit to an alcohol outlet is identified based on the GPS point location of the mobile phone and the building footprint (a polygon) of the alcohol outlet. We present our method for deriving neighborhood-level alcohol outlet visits, and experiment with four different statistical and machine learning models to investigate the role of the derived visits in enhancing DV prediction based on an empirical dataset about DV in Chicago. Our results reveal the effectiveness of the derived alcohol outlets visits in helping identify neighborhoods that are more likely to suffer from DV, and can inform policies related to DV intervention and alcohol outlet licensing.

Human mobility data and machine learning reveal geographic differences in alcohol sales and alcohol outlet visits across U.S. states during COVID-19.

As many U.S. states implemented stay-at-home orders beginning in March 2020, anecdotes reported a surge in alcohol sales, raising concerns about increased alcohol use and associated ills. The surveillance report from the National Institute on Alcohol Abuse and Alcoholism provides monthly U.S. alcohol sales data from a subset of states, allowing an investigation of this potential increase in alcohol use. Meanwhile, anonymized human mobility data released by companies such as SafeGraph enables an examination of the visiting behavior of people to various alcohol outlets such as bars and liquor stores. This study examines changes to alcohol sales and alcohol outlet visits during COVID-19 and their geographic differences across states. We find major increases in the sales of spirits and wine since March 2020, while the sales of beer decreased. We also find moderate increases in people's visits to liquor stores, while their visits to bars and pubs substantially decreased. Noticing a significant correlation between alcohol sales and outlet visits, we use machine learning models to examine their relationship and find evidence in some states for likely panic buying of spirits and wine. Large geographic differences exist across states, with both major increases and decreases in alcohol sales and alcohol outlet visits.

Transient crosslinking kinetics optimize gene cluster interactions.

Our understanding of how chromosomes structurally organize and dynamically interact has been revolutionized through the lens of long-chain polymer physics. Major protein contributors to chromosome structure and dynamics are condensin and cohesin that stochastically generate loops within and between chains, and entrap proximal strands of sister chromatids. In this paper, we explore the ability of transient, protein-mediated, gene-gene crosslinks to induce clusters of genes, thereby dynamic architecture, within the highly repeated ribosomal DNA that comprises the nucleolus of budding yeast. We implement three approaches: live cell microscopy; computational modeling of the full genome during G1 in budding yeast, exploring four decades of timescales for transient crosslinks between 5kbp domains (genes) in the nucleolus on Chromosome XII; and, temporal network models with automated community (cluster) detection algorithms applied to the full range of 4D modeling datasets. The data analysis tools detect and track gene clusters, their size, number, persistence time, and their plasticity (deformation). Of biological significance, our analysis reveals an optimal mean crosslink lifetime that promotes pairwise and cluster gene interactions through "flexible" clustering. In this state, large gene clusters self-assemble yet frequently interact (merge and separate), marked by gene exchanges between clusters, which in turn maximizes global gene interactions in the nucleolus. This regime stands between two limiting cases each with far less global gene interactions: with shorter crosslink lifetimes, "rigid" clustering emerges with clusters that interact infrequently; with longer crosslink lifetimes, there is a dissolution of clusters. These observations are compared with imaging experiments on a normal yeast strain and two condensin-modified mutant cell strains. We apply the same image analysis pipeline to the experimental and simulated datasets, providing support for the modeling predictions.

RIGID GRAPH COMPRESSION: MOTIF-BASED RIGIDITY ANALYSIS FOR DISORDERED FIBER NETWORKS.

Using particle-scale models to accurately describe property enhancements and phase transitions in macroscopic behavior is a major engineering challenge in composite materials science. To address some of these challenges, we use the graph theoretic property of rigidity to model mechanical reinforcement in composites with stiff rod-like particles. We develop an efficient algorithmic approach called rigid graph compression (RGC) to describe the transition from floppy to rigid in disordered fiber networks ("rod-hinge systems"), which form the reinforcing phase in many composite systems. To establish RGC on a firm theoretical foundation, we adapt rigidity matroid theory to identify primitive topological network motifs that serve as rules for composing interacting rigid particles into larger rigid components. This approach is computationally efficient and stable, because RGC requires only topological information about rod interactions (encoded by a sparse unweighted network) rather than geometrical details such as rod locations or pairwise distances (as required in rigidity matroid theory). We conduct numerical experiments on simulated two-dimensional rod-hinge systems to demonstrate that RGC closely approximates the rigidity percolation threshold for such systems, through comparison with the pebble game algorithm (which is exact in two dimensions). Importantly, whereas the pebble game is derived from Laman's condition and is only valid in two dimensions, the RGC approach naturally extends to higher dimensions.

NETWORK-ENSEMBLE COMPARISONS WITH STOCHASTIC REWIRING AND VON NEUMANN ENTROPY.

Assessing whether a given network is typical or atypical for a random-network ensemble (i.e., network-ensemble comparison) has widespread applications ranging from null-model selection and hypothesis testing to clustering and classifying networks. We develop a framework for network-ensemble comparison by subjecting the network to stochastic rewiring. We study two rewiring processes-uniform and degree-preserved rewiring-which yield random-network ensembles that converge to the Erdos-Rényi and configuration-model ensembles, respectively. We study convergence through von Neumann entropy (VNE)-a network summary statistic measuring information content based on the spectra of a Laplacian matrix-and develop a perturbation analysis for the expected effect of rewiring on VNE. Our analysis yields an estimate for how many rewires are required for a given network to resemble a typical network from an ensemble, offering a computationally efficient quantity for network-ensemble comparison that does not require simulation of the corresponding rewiring process.

EIGENVECTOR-BASED CENTRALITY MEASURES FOR TEMPORAL NETWORKS.

Numerous centrality measures have been developed to quantify the importances of nodes in time-independent networks, and many of them can be expressed as the leading eigenvector of some matrix. With the increasing availability of network data that changes in time, it is important to extend such eigenvector-based centrality measures to time-dependent networks. In this paper, we introduce a principled generalization of network centrality measures that is valid for any eigenvector-based centrality. We consider a temporal network with N nodes as a sequence of T layers that describe the network during different time windows, and we couple centrality matrices for the layers into a supra-centrality matrix of size NT × NT whose dominant eigenvector gives the centrality of each node i at each time t. We refer to this eigenvector and its components as a joint centrality, as it reflects the importances of both the node i and the time layer t. We also introduce the concepts of marginal and conditional centralities, which facilitate the study of centrality trajectories over time. We find that the strength of coupling between layers is important for determining multiscale properties of centrality, such as localization phenomena and the time scale of centrality changes. In the strong-coupling regime, we derive expressions for time-averaged centralities, which are given by the zeroth-order terms of a singular perturbation expansion. We also study first-order terms to obtain first-order-mover scores, which concisely describe the magnitude of nodes' centrality changes over time. As examples, we apply our method to three empirical temporal networks: the United States Ph.D. exchange in mathematics, costarring relationships among top-billed actors during the Golden Age of Hollywood, and citations of decisions from the United States Supreme Court.

Post-Processing Partitions to Identify Domains of Modularity Optimization.

We introduce the Convex Hull of Admissible Modularity Partitions (CHAMP) algorithm to prune and prioritize different network community structures identified across multiple runs of possibly various computational heuristics. Given a set of partitions, CHAMP identifies the domain of modularity optimization for each partition-i.e., the parameter-space domain where it has the largest modularity relative to the input set-discarding partitions with empty domains to obtain the subset of partitions that are "admissible" candidate community structures that remain potentially optimal over indicated parameter domains. Importantly, CHAMP can be used for multi-dimensional parameter spaces, such as those for multilayer networks where one includes a resolution parameter and interlayer coupling. Using the results from CHAMP, a user can more appropriately select robust community structures by observing the sizes of domains of optimization and the pairwise comparisons between partitions in the admissible subset. We demonstrate the utility of CHAMP with several example networks. In these examples, CHAMP focuses attention onto pruned subsets of admissible partitions that are 20-to-1785 times smaller than the sets of unique partitions obtained by community detection heuristics that were input into CHAMP.

Super-Resolution Community Detection for Layer-Aggregated Multilayer Networks.

Applied network science often involves preprocessing network data before applying a network-analysis method, and there is typically a theoretical disconnect between these steps. For example, it is common to aggregate time-varying network data into windows prior to analysis, and the trade-offs of this preprocessing are not well understood. Focusing on the problem of detecting small communities in multilayer networks, we study the effects of layer aggregation by developing random-matrix theory for modularity matrices associated with layer-aggregated networks with N nodes and L layers, which are drawn from an ensemble of Erdos-Rényi networks with communities planted in subsets of layers. We study phase transitions in which eigenvectors localize onto communities (allowing their detection) and which occur for a given community provided its size surpasses a detectability limit K* . When layers are aggregated via a summation, we obtain [Formula: see text], where T is the number of layers across which the community persists. Interestingly, if T is allowed to vary with L, then summation-based layer aggregation enhances small-community detection even if the community persists across a vanishing fraction of layers, provided that T/L decays more slowly than 𝒪(L-1/2). Moreover, we find that thresholding the summation can, in some cases, cause K* to decay exponentially, decreasing by orders of magnitude in a phenomenon we call super-resolution community detection. In other words, layer aggregation with thresholding is a nonlinear data filter enabling detection of communities that are otherwise too small to detect. Importantly, different thresholds generally enhance the detectability of communities having different properties, illustrating that community detection can be obscured if one analyzes network data using a single threshold.

Erosion of synchronization: Coupling heterogeneity and network structure.

We study the dynamics of network-coupled phase oscillators in the presence of coupling frustration. It was recently demonstrated that in heterogeneous network topologies, the presence of coupling frustration causes perfect phase synchronization to become unattainable even in the limit of infinite coupling strength. Here, we consider the important case of heterogeneous coupling functions and extend previous results by deriving analytical predictions for the total erosion of synchronization. Our analytical results are given in terms of basic quantities related to the network structure and coupling frustration. In addition to fully heterogeneous coupling, where each individual interaction is allowed to be distinct, we also consider partially heterogeneous coupling and homogeneous coupling in which the coupling functions are either unique to each oscillator or identical for all network interactions, respectively. We demonstrate the validity of our theory with numerical simulations of multiple network models, and highlight the interesting effects that various coupling choices and network models have on the total erosion of synchronization. Finally, we consider some special network structures with well-known spectral properties, which allows us to derive further analytical results.

SYNCHRONIZATION OF HETEROGENEOUS OSCILLATORS UNDER NETWORK MODIFICATIONS: PERTURBATION AND OPTIMIZATION OF THE SYNCHRONY ALIGNMENT FUNCTION.

Synchronization is central to many complex systems in engineering physics (e.g., the power-grid, Josephson junction circuits, and electro-chemical oscillators) and biology (e.g., neuronal, circadian, and cardiac rhythms). Despite these widespread applications-for which proper functionality depends sensitively on the extent of synchronization-there remains a lack of understanding for how systems can best evolve and adapt to enhance or inhibit synchronization. We study how network modifications affect the synchronization properties of network-coupled dynamical systems that have heterogeneous node dynamics (e.g., phase oscillators with non-identical frequencies), which is often the case for real-world systems. Our approach relies on a synchrony alignment function (SAF) that quantifies the interplay between heterogeneity of the network and of the oscillators and provides an objective measure for a system's ability to synchronize. We conduct a spectral perturbation analysis of the SAF for structural network modifications including the addition and removal of edges, which subsequently ranks the edges according to their importance to synchronization. Based on this analysis, we develop gradient-descent algorithms to efficiently solve optimization problems that aim to maximize phase synchronization via network modifications. We support these and other results with numerical experiments.

Optimal synchronization of directed complex networks.

We study optimal synchronization of networks of coupled phase oscillators. We extend previous theory for optimizing the synchronization properties of undirected networks to the important case of directed networks. We derive a generalized synchrony alignment function that encodes the interplay between the network structure and the oscillators' natural frequencies and serves as an objective measure for the network's degree of synchronization. Using the generalized synchrony alignment function, we show that a network's synchronization properties can be systematically optimized. This framework also allows us to study the properties of synchrony-optimized networks, and in particular, investigate the role of directed network properties such as nodal in- and out-degrees. For instance, we find that in optimally rewired networks, the heterogeneity of the in-degree distribution roughly matches the heterogeneity of the natural frequency distribution, but no such relationship emerges for out-degrees. We also observe that a network's synchronization properties are promoted by a strong correlation between the nodal in-degrees and the natural frequencies of oscillators, whereas the relationship between the nodal out-degrees and the natural frequencies has comparatively little effect. This result is supported by our theory, which indicates that synchronization is promoted by a strong alignment of the natural frequencies with the left singular vectors corresponding to the largest singular values of the Laplacian matrix.

Enhanced Detectability of Community Structure in Multilayer Networks through Layer Aggregation.

Many systems are naturally represented by a multilayer network in which edges exist in multiple layers that encode different, but potentially related, types of interactions, and it is important to understand limitations on the detectability of community structure in these networks. Using random matrix theory, we analyze detectability limitations for multilayer (specifically, multiplex) stochastic block models (SBMs) in which L layers are derived from a common SBM. We study the effect of layer aggregation on detectability for several aggregation methods, including summation of the layers' adjacency matrices for which we show the detectability limit vanishes as O(L^{-1/2}) with increasing number of layers, L. Importantly, we find a similar scaling behavior when the summation is thresholded at an optimal value, providing insight into the common-but not well understood-practice of thresholding pairwise-interaction data to obtain sparse network representations.

Collective frequency variation in network synchronization and reverse PageRank.

A wide range of natural and engineered phenomena rely on large networks of interacting units to reach a dynamical consensus state where the system collectively operates. Here we study the dynamics of self-organizing systems and show that for generic directed networks the collective frequency of the ensemble is not the same as the mean of the individuals' natural frequencies. Specifically, we show that the collective frequency equals a weighted average of the natural frequencies, where the weights are given by an outflow centrality measure that is equivalent to a reverse PageRank centrality. Our findings uncover an intricate dependence of the collective frequency on both the structural directedness and dynamical heterogeneity of the network, and also reveal an unexplored connection between synchronization and PageRank, which opens the possibility of applying PageRank optimization to synchronization. Finally, we demonstrate the presence of collective frequency variation in real-world networks by considering the UK and Scandinavian power grids.

Inferring causal molecular networks: empirical assessment through a community-based effort.

It remains unclear whether causal, rather than merely correlational, relationships in molecular networks can be inferred in complex biological settings. Here we describe the HPN-DREAM network inference challenge, which focused on learning causal influences in signaling networks. We used phosphoprotein data from cancer cell lines as well as in silico data from a nonlinear dynamical model. Using the phosphoprotein data, we scored more than 2,000 networks submitted by challenge participants. The networks spanned 32 biological contexts and were scored in terms of causal validity with respect to unseen interventional data. A number of approaches were effective, and incorporating known biology was generally advantageous. Additional sub-challenges considered time-course prediction and visualization. Our results suggest that learning causal relationships may be feasible in complex settings such as disease states. Furthermore, our scoring approach provides a practical way to empirically assess inferred molecular networks in a causal sense.

Clustering network layers with the strata multilayer stochastic block model.

Multilayer networks are a useful data structure for simultaneously capturing multiple types of relationships between a set of nodes. In such networks, each relational definition gives rise to a layer. While each layer provides its own set of information, community structure across layers can be collectively utilized to discover and quantify underlying relational patterns between nodes. To concisely extract information from a multilayer network, we propose to identify and combine sets of layers with meaningful similarities in community structure. In this paper, we describe the "strata multilayer stochastic block model" (sMLSBM), a probabilistic model for multilayer community structure. The central extension of the model is that there exist groups of layers, called "strata", which are defined such that all layers in a given stratum have community structure described by a common stochastic block model (SBM). That is, layers in a stratum exhibit similar node-to-community assignments and SBM probability parameters. Fitting the sMLSBM to a multilayer network provides a joint clustering that yields node-to-community and layer-to-stratum assignments, which cooperatively aid one another during inference. We describe an algorithm for separating layers into their appropriate strata and an inference technique for estimating the SBM parameters for each stratum. We demonstrate our method using synthetic networks and a multilayer network inferred from data collected in the Human Microbiome Project.

Topological data analysis of contagion maps for examining spreading processes on networks.

Social and biological contagions are influenced by the spatial embeddedness of networks. Historically, many epidemics spread as a wave across part of the Earth's surface; however, in modern contagions long-range edges-for example, due to airline transportation or communication media-allow clusters of a contagion to appear in distant locations. Here we study the spread of contagions on networks through a methodology grounded in topological data analysis and nonlinear dimension reduction. We construct 'contagion maps' that use multiple contagions on a network to map the nodes as a point cloud. By analysing the topology, geometry and dimensionality of manifold structure in such point clouds, we reveal insights to aid in the modelling, forecast and control of spreading processes. Our approach highlights contagion maps also as a viable tool for inferring low-dimensional structure in networks.