Topological Sholl descriptors for neuronal clustering and classification.

Neuronal morphology is a fundamental factor influencing information processing within neurons and networks. Dendritic morphology in particular can widely vary among cell classes, brain regions, and animal species. Thus, accurate quantitative descriptions allowing classification of large sets of neurons is essential for their structural and functional characterization. Current robust and unbiased computational methods that characterize groups of neurons are scarce. In this work, we introduce a novel technique to study dendritic morphology, complementing and advancing many of the existing techniques. Our approach is to conceptualize the notion of a Sholl descriptor and associate, for each morphological feature, and to each neuron, a function of the radial distance from the soma, taking values in a metric space. Functional distances give rise to pseudo-metrics on sets of neurons which are then used to perform the two distinct tasks of clustering and classification. To illustrate the use of Sholl descriptors, four datasets were retrieved from the large public repository https://neuromorpho.org/ comprising neuronal reconstructions from different species and brain regions. Sholl descriptors were subsequently computed, and standard clustering methods enhanced with detection and metric learning algorithms were then used to objectively cluster and classify each dataset. Importantly, our descriptors outperformed conventional morphometric techniques (L-Measure metrics) in several of the tested datasets. Therefore, we offer a novel and effective approach to the analysis of diverse neuronal cell types, and provide a toolkit for researchers to cluster and classify neurons.

Epidemiological waves - Types, drivers and modulators in the COVID-19 pandemic.

Introduction: A discussion of 'waves' of the COVID-19 epidemic in different countries is a part of the national conversation for many, but there is no hard and fast means of delineating these waves in the available data and their connection to waves in the sense of mathematical epidemiology is only tenuous. Methods: We present an algorithm which processes a general time series to identify substantial, significant and sustained periods of increase in the value of the time series, which could reasonably be described as 'observed waves'. This provides an objective means of describing observed waves in time series. We use this method to synthesize evidence across different countries to study types, drivers and modulators of waves. Results: The output of the algorithm as applied to epidemiological time series related to COVID-19 corresponds to visual intuition and expert opinion. Inspecting the results of individual countries shows how consecutive observed waves can differ greatly with respect to the case fatality ratio. Furthermore, in large countries, a more detailed analysis shows that consecutive observed waves have different geographical ranges. We also show how waves can be modulated by government interventions and find that early implementation of NPIs correlates with a reduced number of observed waves and reduced mortality burden in those waves. Conclusion: It is possible to identify observed waves of disease by algorithmic methods and the results can be fruitfully used to analyse the progression of the epidemic.

Euler characteristic curves and profiles: a stable shape invariant for big data problems.

Tools of topological data analysis provide stable summaries encapsulating the shape of the considered data. Persistent homology, the most standard and well-studied data summary, suffers a number of limitations; its computations are hard to distribute, and it is hard to generalize to multifiltrations and is computationally prohibitive for big datasets. In this article, we study the concept of Euler characteristics curves for 1-parameter filtrations and Euler characteristic profiles for multiparameter filtrations. While being a weaker invariant in one dimension, we show that Euler characteristic-based approaches do not possess some handicaps of persistent homology; we show efficient algorithms to compute them in a distributed way, their generalization to multifiltrations, and practical applicability for big data problems. In addition, we show that the Euler curves and profiles enjoy a certain type of stability, which makes them robust tools for data analysis. Lastly, to show their practical applicability, multiple use cases are considered.

Extending conventional surface roughness ISO parameters using topological data analysis for shot peened surfaces.

The roughness of material surfaces is of greatest relevance for applications. These include wear, friction, fatigue, cytocompatibility, or corrosion resistance. Today's descriptors of the International Organization for Standardization show varying performance in discriminating surface roughness patterns. We introduce here a set of surface parameters which are extracted from the appropriate persistence diagram with enhanced discrimination power. Using the finite element method implemented in Abaqus Explicit 2019, we modelled American Rolling Mill Company pure iron specimens (volume 1.5 × 1.5 × 1.0 mm3) exposed to a shot peening procedure. Surface roughness evaluation after each shot impact and single indents were controlled numerically. Conventional and persistence-based evaluation is implemented in Python code and available as open access supplement. Topological techniques prove helpful in the comparison of different shot peened surface samples. Conventional surface area roughness parameters might struggle in distinguishing different shot peening surface topographies, in particular for coverage values > 69%. Above that range, the calculation of conventional parameters leads to overlapping descriptor values. In contrast, lifetime entropy of persistence diagrams and Betti curves provide novel, discriminative one-dimensional descriptors at all coverage ranges. We compare how conventional parameters and persistence parameters describe surface roughness. Conventional parameters are outperformed. These results highlight how topological techniques might be a promising extension of surface roughness methods.

Developmental Changes in Pyramidal Cell Morphology in Multiple Visual Cortical Areas Using Cluster Analysis.

Neuronal morphology is characterized by salient features such as complex axonal and dendritic arbors. In the mammalian brain, variations in dendritic morphology among cell classes, brain regions, and animal species are thought to underlie known differences in neuronal function. In this work, we obtained a large dataset from http://neuromorpho.org/ comprising layer III pyramidal cells in different cortical areas of the ventral visual pathway (V1, V2, V4, TEO, and TE) of the macaque monkey at different developmental stages. We performed an in depth quantitative analysis of pyramidal cell morphology throughout development in an effort to determine which aspects mature early in development and which features require a protracted period of maturation. We were also interested in establishing if developmental changes in morphological features occur simultaneously or hierarchically in multiple visual cortical areas. We addressed these questions by performing principal component analysis (PCA) and hierarchical clustering analysis on relevant morphological features. Our analysis indicates that the maturation of pyramidal cell morphology is largely based on early development of topological features in most visual cortical areas. Moreover, the maturation of pyramidal cell morphology in V1, V2, V4, TEO, and TE is characterized by unique developmental trajectories.

OxCOVID19 Database, a multimodal data repository for better understanding the global impact of COVID-19.

Oxford COVID-19 Database (OxCOVID19 Database) is a comprehensive source of information related to the COVID-19 pandemic. This relational database contains time-series data on epidemiology, government responses, mobility, weather and more across time and space for all countries at the national level, and for more than 50 countries at the regional level. It is curated from a variety of (wherever available) official sources. Its purpose is to facilitate the analysis of the spread of SARS-CoV-2 virus and to assess the effects of non-pharmaceutical interventions to reduce the impact of the pandemic. Our database is a freely available, daily updated tool that provides unified and granular information across geographical regions. Design type Data integration objective Measurement(s) Coronavirus infectious disease, viral epidemiology Technology type(s) Digital curation Factor types(s) Sample characteristic(s) Homo sapiens.

High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites.

The materials genome initiative has led to the creation of a large (over a million) database of different classes of nanoporous materials. As the number of hypothetical materials that can, in principle, be experimentally synthesized is infinite, a bottleneck in the use of these databases for the discovery of novel materials is the lack of efficient computational tools to analyze them. Current approaches use brute-force molecular simulations to generate thermodynamic data needed to predict the performance of these materials in different applications, but this approach is limited to the analysis of tens of thousands of structures due to computational intractability. As such, it is conceivable and even likely that the best nanoporous materials for any given application have yet to be discovered both experimentally and theoretically. In this article, we seek a computational approach to tackle this issue by transitioning away from brute-force characterization to high-throughput screening methods based on big-data analysis, using the zeolite database as an example. For identifying and comparing zeolites, we used a topological data analysis-based descriptor (TD) recognizing pore shapes. For methane storage and carbon capture applications, our analyses seeking pairs of highly similar zeolites discovered good correlations between performance properties of a seed zeolite and the corresponding pair, which demonstrates the capability of TD to predict performance properties. It was also shown that when some top zeolites are known, TD can be used to detect other high-performing materials as their neighbors with high probability. Finally, we performed high-throughput screening of zeolites based on TD. For methane storage (or carbon capture) applications, the promising sets from our screenings contained high-percentages of top-performing zeolites: 45% (or 23%) of the top 1% zeolites in the entire set. This result shows that our screening approach using TD is highly efficient in finding high-performing materials. We expect that this approach could easily be extended to other applications by simply adjusting one parameter, the size of the target gas molecule.

A Topological Representation of Branching Neuronal Morphologies.

Many biological systems consist of branching structures that exhibit a wide variety of shapes. Our understanding of their systematic roles is hampered from the start by the lack of a fundamental means of standardizing the description of complex branching patterns, such as those of neuronal trees. To solve this problem, we have invented the Topological Morphology Descriptor (TMD), a method for encoding the spatial structure of any tree as a "barcode", a unique topological signature. As opposed to traditional morphometrics, the TMD couples the topology of the branches with their spatial extents by tracking their topological evolution in 3-dimensional space. We prove that neuronal trees, as well as stochastically generated trees, can be accurately categorized based on their TMD profiles. The TMD retains sufficient global and local information to create an unbiased benchmark test for their categorization and is able to quantify and characterize the structural differences between distinct morphological groups. The use of this mathematically rigorous method will advance our understanding of the anatomy and diversity of branching morphologies.

Quantifying similarity of pore-geometry in nanoporous materials.

In most applications of nanoporous materials the pore structure is as important as the chemical composition as a determinant of performance. For example, one can alter performance in applications like carbon capture or methane storage by orders of magnitude by only modifying the pore structure. For these applications it is therefore important to identify the optimal pore geometry and use this information to find similar materials. However, the mathematical language and tools to identify materials with similar pore structures, but different composition, has been lacking. We develop a pore recognition approach to quantify similarity of pore structures and classify them using topological data analysis. This allows us to identify materials with similar pore geometries, and to screen for materials that are similar to given top-performing structures. Using methane storage as a case study, we also show that materials can be divided into topologically distinct classes requiring different optimization strategies.

Cliques of Neurons Bound into Cavities Provide a Missing Link between Structure and Function.

The lack of a formal link between neural network structure and its emergent function has hampered our understanding of how the brain processes information. We have now come closer to describing such a link by taking the direction of synaptic transmission into account, constructing graphs of a network that reflect the direction of information flow, and analyzing these directed graphs using algebraic topology. Applying this approach to a local network of neurons in the neocortex revealed a remarkably intricate and previously unseen topology of synaptic connectivity. The synaptic network contains an abundance of cliques of neurons bound into cavities that guide the emergence of correlated activity. In response to stimuli, correlated activity binds synaptically connected neurons into functional cliques and cavities that evolve in a stereotypical sequence toward peak complexity. We propose that the brain processes stimuli by forming increasingly complex functional cliques and cavities.

Topology preserving thinning of cell complexes.

A topology preserving skeleton is a synthetic representation of an object that retains its topology and many of its significant morphological properties. The process of obtaining the skeleton, referred to as skeletonization or thinning, is a very active research area. It plays a central role in reducing the amount of information to be processed during image analysis and visualization, computer-aided diagnosis, or by pattern recognition algorithms. This paper introduces a novel topology preserving thinning algorithm, which removes simple cells-a generalization of simple points-of a given cell complex. The test for simple cells is based on acyclicity tables automatically produced in advance with homology computations. Using acyclicity tables render the implementation of thinning algorithms straightforward. Moreover, the fact that tables are automatically filled for all possible configurations allows to rigorously prove the generality of the algorithm and to obtain fool-proof implementations. The novel approach enables, for the first time, according to our knowledge, to thin a general unstructured simplicial complex. Acyclicity tables for cubical and simplicial complexes and an open source implementation of the thinning algorithm are provided as an additional material to allow their immediate use in the vast number of applications arising in medical imaging and beyond.