We focus on the problem of aligning graphs that have a spatial basis. In such graphs, which we refer to asrigid graphs, nodes have preferred positions relative to their graph neighbors. Rigid graphs can be used to abstract objects in diverse applications such as large biomolecules, where edges corresponding to chemical bonds have preferred lengths, functional connectomes of the human brain, where edges corresponding to co-firing regions of the brain have preferred anatomical distances, and mobile device/ sensor communication logs, where edges corresponding to point-to-point communications across devices have distance constraints. Effective analysis of such graphs must account for edge lengths in addition to topological features. For instance, when identifying conserved patterns through graph alignment, it is important for matched edges to have correlated lengths, in addition to topological similarity. In this paper, we formulate the problem ofrigid graph alignmentand present a method for solving it. Our formulation of rigid graph alignment simultaneously aligns the topology of the input graphs, as well as the geometric structure represented by the edge lengths, which is solved using a block coordinate descent technique. Using detailed experiments on real and synthetic datasets, we demonstrate a number of important desirable features of our method: (i) it significantly outperforms topological and structural aligners on a wide range of problems; (ii) it scales to problems in important real-world applications; and (iii) it has excellent stability properties, in view of noise and missing data in typical applications.

In the simplest setting, graph visualization is the problem of producing a set of two-dimensional coordinates for each node that meaningfully shows connections and latent structure in a graph. Among other uses, having a meaningful layout is often useful to help interpret the results from network science tasks such as community detection and link prediction. There are several existing graph visualization techniques in the literature that are based on spectral methods, graph embeddings, or optimizing graph distances. Despite the large number of methods, it is still often challenging or extremely time consuming to produce meaningful layouts of graphs with hundreds of thousands of vertices. Existing methods often either fail to produce a visualization in a meaningful time window, or produce a layout colorfully called a “hairball”, which does not illustrate any internal structure in the graph. Here, we show that adding higher-order information based on cliques to a classic eigenvector based graph visualization technique enables it to produce meaningful plots of large graphs. We further evaluate these visualizations along a number of graph visualization metrics and we find that it outperforms existing techniques on a metric that uses random walks to measure the local structure. Finally, we show many examples of how our algorithm successfully produces layouts of large networks. Code to reproduce our results is available.

Link prediction is a common problem in network science that transects many disciplines. The goal is to forecast the appearance of new links or to find links missing in the network. Typical methods for link prediction use the topology of the network to predict the most likely future or missing connections between a pair of nodes. However, network evolution is often mediated by higher-order structures involving more than pairs of nodes; for example, cliques on three nodes (also called triangles) are key to the structure of social networks, but the standard link prediction framework does not directly predict these structures. To address this gap, we propose a new link prediction task called "pairwise link prediction" that directly targets the prediction of new triangles, where one is tasked with finding which nodes are most likely to form a triangle with a given edge. We develop two PageRank-based methods for our pairwise link prediction problem and make natural extensions to existing link prediction methods. Our experiments on a variety of networks show that diffusion based methods are less sensitive to the type of graphs used and more consistent in their results. We also show how our pairwise link prediction framework can be used to get better predictions within the context of standard link prediction evaluation.

MOTIVATION: Precision medicine is an emerging field with hopes to improve patient treatment and reduce morbidity and mortality. To these ends, computational approaches have predicted associations among genes, chemicals and diseases. Such efforts, however, were often limited to using just some available association types. This lowers prediction coverage and, since prior evidence shows that integrating heterogeneous data is likely beneficial, it may limit accuracy. Therefore, we systematically tested whether using more association types improves prediction. RESULTS: We study multimodal networks linking diseases, genes and chemicals (drugs) by applying three diffusion algorithms and varying information content. Ten-fold cross-validation shows that these networks are internally consistent, both within and across association types. Also, diffusion methods recovered missing edges, even if all the edges from an entire mode of association were removed. This suggests that information is transferable between these association types. As a realistic validation, time-stamped experiments simulated the predictions of future associations based solely on information known prior to a given date. The results show that many future published results are predictable from current associations. Moreover, in most cases, using more association types increases prediction coverage without significantly decreasing sensitivity and specificity. In case studies, literature-supported validation shows that these predictions mimic human-formulated hypotheses. Overall, this study suggests that diffusion over a more comprehensive multimodal network will generate more useful hypotheses of associations among diseases, genes and chemicals, which may guide the development of precision therapies. AVAILABILITY AND IMPLEMENTATION: Code and data are available at https://github.com/LichtargeLab/multimodal-network-diffusion. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Network alignment or graph matching is the classic problem of finding matching vertices between two graphs with applications in network de-anonymization and bioinformatics. There exist a wide variety of algorithms for it, but a challenging scenario for all of the algorithms is aligning two networks without any information about which nodes might be good matches. In this case, the vast majority of principled algorithms demand quadratic memory in the size of the graphs. We show that one such method---the recently proposed and theoretically grounded EigenAlign algorithm---admits a novel implementation which requires memory that is linear in the size of the graphs. The key step to this insight is identifying low-rank structure in the node-similarity matrix used by EigenAlign for determining matches. With an exact, closed-form low-rank structure, we then solve a maximum weight bipartite matching problem on that low-rank matrix to produce the matching between the graphs. For this task, we show a new, a-posteriori, approximation bound for a simple algorithm to approximate a maximum weight bipartite matching problem on a low-rank matrix. The combination of our two new methods then enables us to tackle much larger network alignment problems than previously possible and to do so quickly. Problems that take hours with existing methods take only seconds with our new algorithm. We thoroughly validate our low-rank algorithm against the original EigenAlign approach. We also compare a variety of existing algorithms on problems in bioinformatics and social networks. Our approach can also be combined with existing algorithms to improve their performance and speed.

A multimodal network encodes relationships between the same set of nodes in multiple settings, and network alignment is a powerful tool for transferring information and insight between a pair of networks. We propose a method for multimodal network alignment that computes a matrix which indicates the alignment, but produces the result as a low-rank factorization directly. We then propose new methods to compute approximate maximum weight matchings of low-rank matrices to produce an alignment. We evaluate our approach by applying it on synthetic networks and use it to de-anonymize a multimodal transportation network.