🍩 Database of Original & Non-Theoretical Uses of Topology

(found 10 matches in 0.005668s)

  1. Branching and Circular Features in High Dimensional Data (2011)

    B. Wang, B. Summa, V. Pascucci, M. Vejdemo-Johansson
    Abstract Large observations and simulations in scientific research give rise to high-dimensional data sets that present many challenges and opportunities in data analysis and visualization. Researchers in application domains such as engineering, computational biology, climate study, imaging and motion capture are faced with the problem of how to discover compact representations of highdimensional data while preserving their intrinsic structure. In many applications, the original data is projected onto low-dimensional space via dimensionality reduction techniques prior to modeling. One problem with this approach is that the projection step in the process can fail to preserve structure in the data that is only apparent in high dimensions. Conversely, such techniques may create structural illusions in the projection, implying structure not present in the original high-dimensional data. Our solution is to utilize topological techniques to recover important structures in high-dimensional data that contains non-trivial topology. Specifically, we are interested in high-dimensional branching structures. We construct local circle-valued coordinate functions to represent such features. Subsequently, we perform dimensionality reduction on the data while ensuring such structures are visually preserved. Additionally, we study the effects of global circular structures on visualizations. Our results reveal never-before-seen structures on real-world data sets from a variety of applications.

  2. Weighted Persistent Homology for Biomolecular Data Analysis (2020)

    Zhenyu Meng, D. Vijay Anand, Yunpeng Lu, Jie Wu, Kelin Xia
    Abstract In this paper, we systematically review weighted persistent homology (WPH) models and their applications in biomolecular data analysis. Essentially, the weight value, which reflects physical, chemical and biological properties, can be assigned to vertices (atom centers), edges (bonds), or higher order simplexes (cluster of atoms), depending on the biomolecular structure, function, and dynamics properties. Further, we propose the first localized weighted persistent homology (LWPH). Inspired by the great success of element specific persistent homology (ESPH), we do not treat biomolecules as an inseparable system like all previous weighted models, instead we decompose them into a series of local domains, which may be overlapped with each other. The general persistent homology or weighted persistent homology analysis is then applied on each of these local domains. In this way, functional properties, that are embedded in local structures, can be revealed. Our model has been applied to systematically study DNA structures. It has been found that our LWPH based features can be used to successfully discriminate the A-, B-, and Z-types of DNA. More importantly, our LWPH based principal component analysis (PCA) model can identify two configurational states of DNA structures in ion liquid environment, which can be revealed only by the complicated helical coordinate system. The great consistence with the helical-coordinate model demonstrates that our model captures local structure variations so well that it is comparable with geometric models. Moreover, geometric measurements are usually defined in local regions. For instance, the helical-coordinate system is limited to one or two basepairs. However, our LWPH can quantitatively characterize structure information in regions or domains with arbitrary sizes and shapes, where traditional geometrical measurements fail.

  5. Time-Inhomogeneous Diffusion Geometry and Topology (2022)

    Guillaume Huguet, Alexander Tong, Bastian Rieck, Jessie Huang, Manik Kuchroo, Matthew Hirn, Guy Wolf, Smita Krishnaswamy
    Abstract Diffusion condensation is a dynamic process that yields a sequence of multiscale data representations that aim to encode meaningful abstractions. It has proven effective for manifold learning, denoising, clustering, and visualization of high-dimensional data. Diffusion condensation is constructed as a time-inhomogeneous process where each step first computes and then applies a diffusion operator to the data. We theoretically analyze the convergence and evolution of this process from geometric, spectral, and topological perspectives. From a geometric perspective, we obtain convergence bounds based on the smallest transition probability and the radius of the data, whereas from a spectral perspective, our bounds are based on the eigenspectrum of the diffusion kernel. Our spectral results are of particular interest since most of the literature on data diffusion is focused on homogeneous processes. From a topological perspective, we show diffusion condensation generalizes centroid-based hierarchical clustering. We use this perspective to obtain a bound based on the number of data points, independent of their location. To understand the evolution of the data geometry beyond convergence, we use topological data analysis. We show that the condensation process itself defines an intrinsic diffusion homology. We use this intrinsic topology as well as an ambient topology to study how the data changes over diffusion time. We demonstrate both homologies in well-understood toy examples. Our work gives theoretical insights into the convergence of diffusion condensation, and shows that it provides a link between topological and geometric data analysis.

  6. Topological Singularity Detection at Multiple Scales (2023)

    Julius von Rohrscheidt, Bastian Rieck
    Abstract The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the ’manifoldness’ of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.

  7. A Topological Machine Learning Pipeline for Classification (2022)

    Francesco Conti, Davide Moroni, Maria Antonietta Pascali
    Abstract In this work, we develop a pipeline that associates Persistence Diagrams to digital data via the most appropriate filtration for the type of data considered. Using a grid search approach, this pipeline determines optimal representation methods and parameters. The development of such a topological pipeline for Machine Learning involves two crucial steps that strongly affect its performance: firstly, digital data must be represented as an algebraic object with a proper associated filtration in order to compute its topological summary, the Persistence Diagram. Secondly, the persistence diagram must be transformed with suitable representation methods in order to be introduced in a Machine Learning algorithm. We assess the performance of our pipeline, and in parallel, we compare the different representation methods on popular benchmark datasets. This work is a first step toward both an easy and ready-to-use pipeline for data classification using persistent homology and Machine Learning, and to understand the theoretical reasons why, given a dataset and a task to be performed, a pair (filtration, topological representation) is better than another.

  8. HERMES: Persistent Spectral Graph Software (2020)

    Rui Wang, Rundong Zhao, Emily Ribando-Gros, Jiahui Chen, Yiying Tong, Guo-Wei Wei
    Abstract Persistent homology (PH) is one of the most popular tools in topological data analysis (TDA), while graph theory has had a significant impact on data science. Our earlier work introduced the persistent spectral graph (PSG) theory as a unified multiscale paradigm to encompass TDA and geometric analysis. In PSG theory, families of persistent Laplacians (PLs) corresponding to various topological dimensions are constructed via a filtration to sample a given dataset at multiple scales. The harmonic spectra from the null spaces of PLs offer the same topological invariants, namely persistent Betti numbers, at various dimensions as those provided by PH, while the non-harmonic spectra of PLs give rise to additional geometric analysis of the shape of the data. In this work, we develop an open-source software package, called highly efficient robust multidimensional evolutionary spectra (HERMES), to enable broad applications of PSGs in science, engineering, and technology. To ensure the reliability and robustness of HERMES, we have validated the software with simple geometric shapes and complex datasets from three-dimensional (3D) protein structures. We found that the smallest non-zero eigenvalues are very sensitive to data abnormality.

  9. Exploring the Geometry and Topology of Neural Network Loss Landscapes (2022)

    Stefan Horoi, Jessie Huang, Bastian Rieck, Guillaume Lajoie, Guy Wolf, Smita Krishnaswamy
    Abstract Recent work has established clear links between the generalization performance of trained neural networks and the geometry of their loss landscape near the local minima to which they converge. This suggests that qualitative and quantitative examination of the loss landscape geometry could yield insights about neural network generalization performance during training. To this end, researchers have proposed visualizing the loss landscape through the use of simple dimensionality reduction techniques. However, such visualization methods have been limited by their linear nature and only capture features in one or two dimensions, thus restricting sampling of the loss landscape to lines or planes. Here, we expand and improve upon these in three ways. First, we present a novel “jump and retrain” procedure for sampling relevant portions of the loss landscape. We show that the resulting sampled data holds more meaningful information about the network’s ability to generalize. Next, we show that non-linear dimensionality reduction of the jump and retrain trajectories via PHATE, a trajectory and manifold-preserving method, allows us to visualize differences between networks that are generalizing well vs poorly. Finally, we combine PHATE trajectories with a computational homology characterization to quantify trajectory differences.

  10. A Functional Data-Driven Approach to Monitor and Analyze Equipment Degradation in Multiproduct Batch Processes (2023)

    Joel Sansana, Ricardo Rendall, Mark N. Joswiak, Ivan Castillo, Gloria Miller, Leo H. Chiang, Marco S. Reis
    Abstract Equipment degradation is ubiquitous in the Chemical Process Industry (CPI), causing significant losses in efficiency, controllability, and plant economy, as well as an increased environmental fingerprint and additional operational safety risks. The case of fouling in heat exchangers, in particular, is well-known and pervasive but still hard to cope with, given the complexity of the underlying mechanisms and the difficulty of assessing its extension in real-time. This problem becomes even more complex in batch processes producing different products, where multiple recipes are used, bringing additional variability and new challenges to the analysis. In this work, we propose a functional data-driven approach for streamlining the analysis and monitoring of the progression of fouling taking place in heat exchangers in multiproduct batch processes. With the approach developed and presented in this paper, process analysis can be efficiently conducted by integrating historical data with engineering knowledge. Furthermore, a surrogate measure of fouling extension in heat exchangers is proposed, that can be readily implemented as an equipment health indicator (EHI) leading to a safer operation of the heat exchanger.