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Complex systems often present higher-order interactions which require us to go beyond their description in terms of pairwise networks. Triadic interactions are a fundamental type of higher-order interaction that occurs when one node regulates the interaction between two other nodes. Triadic interactions are a fundamental type of higher-order networks, found in a large variety of biological systems, from neuron-glia interactions to gene-regulation and ecosystems. However, triadic interactions have been so far mostly neglected. In this article, we propose a theoretical principle to model and mine triadic interactions from node metadata, and we apply this framework to gene expression data finding new candidates for triadic interactions relevant for Acute Myeloid Leukemia. Our work reveals important aspects of higher-order triadic interactions often ignored, which can transform our understanding of complex systems and be applied to a large variety of systems ranging from biology to the climate.

Deep neural networks (DNNs) are powerful tools for approximating the distribution of complex data. It is known that data passing through a trained DNN classifier undergoes a series of geometric and topological simplifications. While some progress has been made toward understanding these transformations in neural networks with smooth activation functions, an understanding in the more general setting of non-smooth activation functions, such as the rectified linear unit (ReLU), which tend to perform better, is required. Here we propose that the geometric transformations performed by DNNs during classification tasks have parallels to those expected under Hamilton's Ricci flow - a tool from differential geometry that evolves a manifold by smoothing its curvature, in order to identify its topology. To illustrate this idea, we present a computational framework to quantify the geometric changes that occur as data passes through successive layers of a DNN, and use this framework to motivate a notion of `global Ricci network flow' that can be used to assess a DNN's ability to disentangle complex data geometries to solve classification problems. By training more than $1,500$ DNN classifiers of different widths and depths on synthetic and real-world data, we show that the strength of global Ricci network flow-like behaviour correlates with accuracy for well-trained DNNs, independently of depth, width and data set. Our findings motivate the use of tools from differential and discrete geometry to the problem of explainability in deep learning.

Networks have provided extremely successful models of data and complex systems. Yet, as combinatorial objects, networks do not have in general intrinsic coordinates and do not typically lie in an ambient space. The process of assigning an embedding space to a network has attracted lots of interest in the past few decades, and has been efficiently applied to fundamental problems in network inference, such as link prediction, node classification, and community detection. In this review, we provide a user-friendly guide to the network embedding literature and current trends in this field which will allow the reader to navigate through the complex landscape of methods and approaches emerging from the vibrant research activity on these subjects.

The amount and variety of data is increasing drastically for several years. These data are often represented as networks, which are then explored with approaches arising from network theory. Recent years have witnessed the extension of network exploration methods to leverage more complex and richer network frameworks. Random walks, for instance, have been extended to explore multilayer networks. However, current random walk approaches are limited in the combination and heterogeneity of network layers they can handle. New analytical and numerical random walk methods are needed to cope with the increasing diversity and complexity of multilayer networks. We propose here MultiXrank, a Python package that enables Random Walk with Restart (RWR) on any kind of multilayer network with an optimized implementation. This package is supported by a universal mathematical formulation of the RWR. We evaluated MultiXrank with leave-one-out cross-validation and link prediction, and introduced protocols to measure the impact of the addition or removal of multilayer network data on prediction performances. We further measured the sensitivity of MultiXrank to input parameters by in-depth exploration of the parameter space. Finally, we illustrate the versatility of MultiXrank with different use-cases of unsupervised node prioritization and supervised classification in the context of human genetic diseases.

A two-component interaction model is introduced herein, which allows to describe macroscopic miscibility with various modes of tunable micro-segregation, ranging from phase separation to micro-segregation, and in excellent agreement for structural quantities obtained from simulations and the liquid state hypernetted-chain like integral equation theory. The model is based on the conjecture that the many-body correlation bridge function term in the closure relation can be divided into one part representing the segregation effects, which are modeled herein, and the usual part representing random many body fluctuations. Furthermore, the model allows to fully neglect these second contributions, thus increasing the agreement between the simulations and the theory. The analysis of the retained part of the many body correlations gives important clues about how to model the many body bridge functions for more realistic systems exhibiting micro-segregation, such as aqueous mixtures., Comment: 6 figures