A simplex path integral and a simplex renormalization group for high-order interactions.

Modern theories of phase transitions and scale invariance are rooted in path integral formulation and renormalization groups (RGs). Despite the applicability of these approaches in simple systems with only pairwise interactions, they are less effective in complex systems with undecomposable high-order interactions (i.e. interactions among arbitrary sets of units). To precisely characterize the universality of high-order interacting systems, we propose a simplex path integral and a simplex RG (SRG) as the generalizations of classic approaches to arbitrary high-order and heterogeneous interactions. We first formalize the trajectories of units governed by high-order interactions to define path integrals on corresponding simplices based on a high-order propagator. Then, we develop a method to integrate out short-range high-order interactions in the momentum space, accompanied by a coarse graining procedure functioning on the simplex structure generated by high-order interactions. The proposed SRG, equipped with a divide-and-conquer framework, can deal with the absence of ergodicity arising from the sparse distribution of high-order interactions and can renormalize a system with intertwined high-order interactions at thep-order according to its properties at theq-order (p⩽q). The associated scaling relation and its corollaries provide support to differentiate among scale-invariant, weakly scale-invariant, and scale-dependent systems across different orders. We validate our theory in multi-order scale-invariance verification, topological invariance discovery, organizational structure identification, and information bottleneck analysis. These experiments demonstrate the capability of our theory to identify intrinsic statistical and topological properties of high-order interacting systems during system reduction.

Persistent spectral simplicial complex-based machine learning for chromosomal structural analysis in cellular differentiation.

The three-dimensional (3D) chromosomal structure plays an essential role in all DNA-templated processes, including gene transcription, DNA replication and other cellular processes. Although developing chromosome conformation capture (3C) methods, such as Hi-C, which can generate chromosomal contact data characterized genome-wide chromosomal structural properties, understanding 3D genomic nature-based on Hi-C data remains lacking. Here, we propose a persistent spectral simplicial complex (PerSpectSC) model to describe Hi-C data for the first time. Specifically, a filtration process is introduced to generate a series of nested simplicial complexes at different scales. For each of these simplicial complexes, its spectral information can be calculated from the corresponding Hodge Laplacian matrix. PerSpectSC model describes the persistence and variation of the spectral information of the nested simplicial complexes during the filtration process. Different from all previous models, our PerSpectSC-based features provide a quantitative global-scale characterization of chromosome structures and topology. Our descriptors can successfully classify cell types and also cellular differentiation stages for all the 24 types of chromosomes simultaneously. In particular, persistent minimum best characterizes cell types and Dim (1) persistent multiplicity best characterizes cellular differentiation. These results demonstrate the great potential of our PerSpectSC-based models in polymeric data analysis.

Higher resonance schemes and Koszul modules of simplicial complexes.

Each connected graded, graded-commutative algebra A of finite type over a field k of characteristic zero defines a complex of finitely generated, graded modules over a symmetric algebra, whose homology graded modules are called the (higher) Koszul modules of A. In this note, we investigate the geometry of the support loci of these modules, called the resonance schemes of the algebra. When A = k ⟨ Δ ⟩ is the exterior Stanley-Reisner algebra associated to a finite simplicial complex Δ , we show that the resonance schemes are reduced. We also compute the Hilbert series of the Koszul modules and give bounds on the regularity and projective dimension of these graded modules. This leads to a relationship between resonance and Hilbert series that generalizes a known formula for the Chen ranks of a right-angled Artin group.

Understanding Higher-Order Interactions in Information Space.

Methods used in topological data analysis naturally capture higher-order interactions in point cloud data embedded in a metric space. This methodology was recently extended to data living in an information space, by which we mean a space measured with an information theoretical distance. One such setting is a finite collection of discrete probability distributions embedded in the probability simplex measured with the relative entropy (Kullback-Leibler divergence). More generally, one can work with a Bregman divergence parameterized by a different notion of entropy. While theoretical algorithms exist for this setup, there is a paucity of implementations for exploring and comparing geometric-topological properties of various information spaces. The interest of this work is therefore twofold. First, we propose the first robust algorithms and software for geometric and topological data analysis in information space. Perhaps surprisingly, despite working with Bregman divergences, our design reuses robust libraries for the Euclidean case. Second, using the new software, we take the first steps towards understanding the geometric-topological structure of these spaces. In particular, we compare them with the more familiar spaces equipped with the Euclidean and Fisher metrics.

Discrete Geodesic Distribution-Based Graph Kernel for 3D Point Clouds.

In the structural analysis of discrete geometric data, graph kernels have a great track record of performance. Using graph kernel functions provides two significant advantages. First, a graph kernel is capable of preserving the graph's topological structures by describing graph properties in a high-dimensional space. Second, graph kernels allow the application of machine learning methods to vector data that are rapidly evolving into graphs. In this paper, the unique kernel function for similarity determination procedures of point cloud data structures, which are crucial for several applications, is formulated. This function is determined by the proximity of the geodesic route distributions in graphs reflecting the discrete geometry underlying the point cloud. This research demonstrates the efficiency of this unique kernel for similarity measures and the categorization of point clouds.

What Is in a Simplicial Complex? A Metaplex-Based Approach to Its Structure and Dynamics.

Geometric realization of simplicial complexes makes them a unique representation of complex systems. The existence of local continuous spaces at the simplices level with global discrete connectivity between simplices makes the analysis of dynamical systems on simplicial complexes a challenging problem. In this work, we provide some examples of complex systems in which this representation would be a more appropriate model of real-world phenomena. Here, we generalize the concept of metaplexes to embrace that of geometric simplicial complexes, which also includes the definition of dynamical systems on them. A metaplex is formed by regions of a continuous space of any dimension interconnected by sinks and sources that works controlled by discrete (graph) operators. The definition of simplicial metaplexes given here allows the description of the diffusion dynamics of this system in a way that solves the existing problems with previous models. We make a detailed analysis of the generalities and possible extensions of this model beyond simplicial complexes, e.g., from polytopal and cell complexes to manifold complexes, and apply it to a real-world simplicial complex representing the visual cortex of a macaque.

Capturing complex interactions in disease ecology with simplicial sets.

Network approaches have revolutionized the study of ecological interactions. Social, movement and ecological networks have all been integral to studying infectious disease ecology. However, conventional (dyadic) network approaches are limited in their ability to capture higher-order interactions. We present simplicial sets as a tool that addresses this limitation. First, we explain what simplicial sets are. Second, we explain why their use would be beneficial in different subject areas. Third, we detail where these areas are: social, transmission, movement/spatial and ecological networks and when using them would help most in each context. To demonstrate their application, we develop a novel approach to identify how pathogens persist within a host population. Fourth, we provide an overview of how to use simplicial sets, highlighting specific metrics, generative models and software. Finally, we synthesize key research questions simplicial sets will help us answer and draw attention to methodological developments that will facilitate this.

A group theoretic approach to model comparison with simplicial representations.

The complexity of biological systems, and the increasingly large amount of associated experimental data, necessitates that we develop mathematical models to further our understanding of these systems. Because biological systems are generally not well understood, most mathematical models of these systems are based on experimental data, resulting in a seemingly heterogeneous collection of models that ostensibly represent the same system. To understand the system we therefore need to understand how the different models are related to each other, with a view to obtaining a unified mathematical description. This goal is complicated by the fact that a number of distinct mathematical formalisms may be employed to represent the same system, making direct comparison of the models very difficult. A methodology for comparing mathematical models based on their underlying conceptual structure is therefore required. In previous work we developed an appropriate framework for model comparison where we represent models, specifically the conceptual structure of the models, as labelled simplicial complexes and compare them with the two general methodologies of comparison by distance and comparison by equivalence. In this article we continue the development of our model comparison methodology in two directions. First, we present a rigorous and automatable methodology for the core process of comparison by equivalence, namely determining the vertices in a simplicial representation, corresponding to model components, that are conceptually related and the identification of these vertices via simplicial operations. Our methodology is based on considerations of vertex symmetry in the simplicial representation, for which we develop the required mathematical theory of group actions on simplicial complexes. This methodology greatly simplifies and expedites the process of determining model equivalence. Second, we provide an alternative mathematical framework for our model-comparison methodology by representing models as groups, which allows for the direct application of group-theoretic techniques within our model-comparison methodology.

Multilayer networks with higher-order interaction reveal the impact of collective behavior on epidemic dynamics.

The ongoing COVID-19 pandemic has inflicted tremendous economic and societal losses. In the absence of pharmaceutical interventions, the population behavioral response, including situational awareness and adherence to non-pharmaceutical intervention policies, has a significant impact on contagion dynamics. Game-theoretic models have been used to reproduce the concurrent evolution of behavioral responses and disease contagion, and social networks are critical platforms on which behavior imitation between social contacts, even dispersed in distant communities, takes place. Such joint contagion dynamics has not been sufficiently explored, which poses a challenge for policies aimed at containing the infection. In this study, we present a multi-layer network model to study contagion dynamics and behavioral adaptation. It comprises two physical layers that mimic the two solitary communities, and one social layer that encapsulates the social influence of agents from these two communities. Moreover, we adopt high-order interactions in the form of simplicial complexes on the social influence layer to delineate the behavior imitation of individual agents. This model offers a novel platform to articulate the interaction between physically isolated communities and the ensuing coevolution of behavioral change and spreading dynamics. The analytical insights harnessed therefrom provide compelling guidelines on coordinated policy design to enhance the preparedness for future pandemics.

Simplicial closure and higher-order link prediction.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once-for example, communication within a group rather than person to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental difference from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

Two's company, three (or more) is a simplex : Algebraic-topological tools for understanding higher-order structure in neural data.

The language of graph theory, or network science, has proven to be an exceptional tool for addressing myriad problems in neuroscience. Yet, the use of networks is predicated on a critical simplifying assumption: that the quintessential unit of interest in a brain is a dyad - two nodes (neurons or brain regions) connected by an edge. While rarely mentioned, this fundamental assumption inherently limits the types of neural structure and function that graphs can be used to model. Here, we describe a generalization of graphs that overcomes these limitations, thereby offering a broad range of new possibilities in terms of modeling and measuring neural phenomena. Specifically, we explore the use of simplicial complexes: a structure developed in the field of mathematics known as algebraic topology, of increasing applicability to real data due to a rapidly growing computational toolset. We review the underlying mathematical formalism as well as the budding literature applying simplicial complexes to neural data, from electrophysiological recordings in animal models to hemodynamic fluctuations in humans. Based on the exceptional flexibility of the tools and recent ground-breaking insights into neural function, we posit that this framework has the potential to eclipse graph theory in unraveling the fundamental mysteries of cognition.

The space of ultrametric phylogenetic trees.

The reliability of a phylogenetic inference method from genomic sequence data is ensured by its statistical consistency. Bayesian inference methods produce a sample of phylogenetic trees from the posterior distribution given sequence data. Hence the question of statistical consistency of such methods is equivalent to the consistency of the summary of the sample. More generally, statistical consistency is ensured by the tree space used to analyse the sample. In this paper, we consider two standard parameterisations of phylogenetic time-trees used in evolutionary models: inter-coalescent interval lengths and absolute times of divergence events. For each of these parameterisations we introduce a natural metric space on ultrametric phylogenetic trees. We compare the introduced spaces with existing models of tree space and formulate several formal requirements that a metric space on phylogenetic trees must possess in order to be a satisfactory space for statistical analysis, and justify them. We show that only a few known constructions of the space of phylogenetic trees satisfy these requirements. However, our results suggest that these basic requirements are not enough to distinguish between the two metric spaces we introduce and that the choice between metric spaces requires additional properties to be considered. Particularly, that the summary tree minimising the square distance to the trees from the sample might be different for different parameterisations. This suggests that further fundamental insight is needed into the problem of statistical consistency of phylogenetic inference methods.

Not your private tête-à-tête: leveraging the power of higher-order networks to study animal communication.

Animal communication is frequently studied with conventional network representations that link pairs of individuals who interact, for example, through vocalization. However, acoustic signals often have multiple simultaneous receivers, or receivers integrate information from multiple signallers, meaning these interactions are not dyadic. Additionally, non-dyadic social structures often shape an individual's behavioural response to vocal communication. Recently, major advances have been made in the study of these non-dyadic, higher-order networks (e.g. hypergraphs and simplicial complexes). Here, we show how these approaches can provide new insights into vocal communication through three case studies that illustrate how higher-order network models can: (i) alter predictions made about the outcome of vocally coordinated group departures; (ii) generate different patterns of song synchronization from models that only include dyadic interactions; and (iii) inform models of cultural evolution of vocal communication. Together, our examples highlight the potential power of higher-order networks to study animal vocal communication. We then build on our case studies to identify key challenges in applying higher-order network approaches in this context and outline important research questions that these techniques could help answer. This article is part of the theme issue 'The power of sound: unravelling how acoustic communication shapes group dynamics'.

Persistent Homology for RNA Data Analysis.

Molecular representations are of great importance for machine learning models in RNA data analysis. Essentially, efficient molecular descriptors or fingerprints that characterize the intrinsic structural and interactional information of RNAs can significantly boost the performance of all learning modeling. In this paper, we introduce two persistent models, including persistent homology and persistent spectral, for RNA structure and interaction representations and their applications in RNA data analysis. Different from traditional geometric and graph representations, persistent homology is built on simplicial complex, which is a generalization of graph models to higher-dimensional situations. Hypergraph is a further generalization of simplicial complexes and hypergraph-based embedded persistent homology has been proposed recently. Moreover, persistent spectral models, which combine filtration process with spectral models, including spectral graph, spectral simplicial complex, and spectral hypergraph, are proposed for molecular representation. The persistent attributes for RNAs can be obtained from these two persistent models and further combined with machine learning models for RNA structure, flexibility, dynamics, and function analysis.

Synchronization in simplicial complexes of memristive Rulkov neurons.

Simplicial complexes are mathematical constructions that describe higher-order interactions within the interconnecting elements of a network. Such higher-order interactions become increasingly significant in neuronal networks since biological backgrounds and previous outcomes back them. In light of this, the current research explores a higher-order network of the memristive Rulkov model. To that end, the master stability functions are used to evaluate the synchronization of a network with pure pairwise hybrid (electrical and chemical) synapses alongside a network with two-node electrical and multi-node chemical connections. The findings provide good insight into the impact of incorporating higher-order interaction in a network. Compared to two-node chemical synapses, higher-order interactions adjust the synchronization patterns to lower multi-node chemical coupling parameter values. Furthermore, the effect of altering higher-order coupling parameter value on the dynamics of neurons in the synchronization state is researched. It is also shown how increasing network size can enhance synchronization by lowering the value of coupling parameters whereby synchronization occurs. Except for complete synchronization, cluster synchronization is detected for higher electrical coupling strength values wherein the neurons are out of the completed synchronization state.

The collective vs individual nature of mountaineering: a network and simplicial approach.

Mountaineering is a sport of contrary forces: teamwork plays a large role in mental fortitude and skills, but the actual act of climbing, and indeed survival, is largely individualistic. This work studies the effects of the structure and topology of relationships within climbers on the level of cooperation and success. It does so using simplicial complexes, where relationships between climbers are captured through simplices that correspond to joint previous expeditions with dimension given by the number of climbers minus one and weight given by the number of occurrences of the simplex. First, this analysis establishes the importance of relationships in mountaineering and shows that chances of failure to summit reduce drastically when climbing with repeated partners. From a climber-centric perspective, it finds that climbers that belong to simplices with large dimension were more likely to be successful, across all experience levels. Then, the distribution of relationships within a group is explored to categorize collective human behavior in expeditions, on a spectrum from polarized to cooperative. Expeditions containing simplices with large dimension, and usually low weight (weak relationships), implying that a large number of people participated in a small number of joint expeditions, tended to be more cooperative, improving chances of success of all members of the group, not just those that were part of the simplex. On the other hand, the existence of small, usually high weight (i.e., strong relationships) simplices, subgroups lead to a polarized style where climbers that were not a part of the subgroup were less likely to succeed. Lastly, this work examines the effects of individual features (such as age, gender, climber experience etc.) and expedition-wide factors (number of camps, total number of days etc.) that are more important determiners of success in individualistic and cooperative expeditions respectively. Centrality indicates that individual features of youth and oxygen use while ascending are the most important predictors of success. Of expedition-wide factors, the expedition size and number of expedition days are found to be strongly correlated with success rate.

ASPECTS OF TOPOLOGICAL APPROACHES FOR DATA SCIENCE.

We establish a new theory which unifies various aspects of topological approaches for data science, by being applicable both to point cloud data and to graph data, including networks beyond pairwise interactions. We generalize simplicial complexes and hypergraphs to super-hypergraphs and establish super-hypergraph homology as an extension of simplicial homology. Driven by applications, we also introduce super-persistent homology.