Tracking the time evolution of soft matter systems via topological structural heterogeneity

Persistent homology is an effective topological data analysis tool to quantify the structural and morphological features of soft materials, but so far it has not been used to characterise the dynamical behaviour of complex soft matter systems. Here, we introduce structural heterogeneity, a topological characteristic for semi-ordered materials that captures their degree of organisation at a mesoscopic level and tracks their time-evolution, ultimately detecting the order-disorder transition at the microscopic scale. We show that structural heterogeneity tracks structural changes in a liquid crystal nanocomposite, reveals the effect of confined geometry on the nematic-isotropic and isotropic-nematic phase transitions, and uncovers physical differences between these two processes. The system used in this work is representative of a class of composite nanomaterials, partially ordered and with complex structural and physical behaviour, where their precise characterisation poses significant challenges. Our developed analytic framework can provide both a qualitative and quantitative characterisation of the dynamical behaviour of a wide range of semi-ordered soft matter systems.

Persistence Diagrams to Visualise Damage to Biological Networks

One of the critical tools of persistent homology is the persistence diagram. We demonstrate the applicability of a persistence diagram showing the existence of topological features (here rings in a 2D network) generated over time instead of space as a tool to analyse trajectories of biological networks. We show how the time persistence diagram is useful in order to identify critical phenomena such as rupturing and to visualise important features in 2D biological networks; they are particularly useful to highlight patterns of damage and to identify if particular patterns are significant or ephemeral. Persistence diagrams are also used to analyse repair phenomena, and we explore how the measured properties of a dynamical phenomenon change according to the sampling frequency. This shows that the persistence diagrams are robust and still provide useful information even for data of low temporal resolution. Finally, we combine persistence diagrams across many trajectories to show how the technique highlights the existence of sharp transitions at critical points in the rupturing process.

Cubical homology-based Image Classification - A Comparative Study

Persistent homology is a powerful tool in topological data analysis (TDA) to compute, study and encode efficiently multi-scale topological features and is being increasingly used in digital image classification. The topological features represent number of connected components, cycles, and voids that describe the shape of data. Persistent homology extracts the birth and death of these topological features through a filtration process. The lifespan of these features can represented using persistent diagrams (topological signatures). Cubical homology is a more efficient method for extracting topological features from a 2D image and uses a collection of cubes to compute the homology, which fits the digital image structure of grids. In this research, we propose a cubical homology-based algorithm for extracting topological features from 2D images to generate their topological signatures. Additionally, we propose a score, which measures the significance of each of the sub-simplices in terms of persistence. Also, gray level co-occurrence matrix (GLCM) and contrast limited adapting histogram equalization (CLAHE) are used as a supplementary method for extracting features. Machine learning techniques are then employed to classify images using the topological signatures. Among the eight tested algorithms with six published image datasets with varying pixel sizes, classes, and distributions, our experiments demonstrate that cubical homology-based machine learning with deep residual network (ResNet 1D) and Light Gradient Boosting Machine (lightGBM) shows promise with the extracted topological features.

Natural Hydrocarbon Samples Classification by Topological Analysis Method

Nowadays material science involves powerful 3D imaging techniques such as X-ray computed tomography that generates high-resolution images of different structures. These methods are widely used to reveal information about the internal structure of geological cores; therefore, there is a need to develop modern approaches for quantitative analysis of the obtained images, their comparison, and classification. Topological persistence is a useful technique for characterizing the internal structure of 3D images. We show how persistent data analysis provides a useful tool for the classification of porous media structure from 3D images of hydrocarbon reservoirs obtained using computed tomography. We propose a methodology of 3D structure classification based on geometry-topology analysis via persistent homology.

Merging Discrete Morse Vector Fields: A Case of Stubborn Geometric Parallelization

We address the basic question in discrete Morse theory of combining discrete gradient fields that are partially defined on subsets of the given complex. This is a well-posed question when the discrete gradient field V is generated using a fixed algorithm which has a local nature. One example is ProcessLowerStars, a widely used algorithm for computing persistent homology associated to a grey-scale image in 2D or 3D. While the algorithm for V may be inherently local, being computed within stars of vertices and so embarrassingly parallelizable, in practical use, it is natural to want to distribute the computation over patches Pi, apply the chosen algorithm to compute the fields Vi associated to each patch, and then assemble the ambient field V from these. Simply merging the fields from the patches, even when that makes sense, gives a wrong answer. We develop both very general merging procedures and leaner versions designed for specific, easy-to-arrange covering patterns.