🍩 Database of Original & Non-Theoretical Uses of Topology
(found 9 matches in 0.002663s)
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Functional Summaries of Persistence Diagrams (2018)
Eric Berry, Yen-Chi Chen, Jessi Cisewski-Kehe, Brittany Terese Fasy -
Medium-Range Order Structure Controls Thermal Stability of Pores in Zeolitic Imidazolate Frameworks (2023)
Rasmus Christensen, Yossi Bokor Bleile, Søren S. Sørensen, Christophe A. N. Biscio, Lisbeth Fajstrup, Morten M. Smedskjaer -
Time-Inhomogeneous Diffusion Geometry and Topology (2022)
Guillaume Huguet, Alexander Tong, Bastian Rieck, Jessie Huang, Manik Kuchroo, Matthew Hirn, Guy Wolf, Smita KrishnaswamyAbstract
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. -
Topological Singularity Detection at Multiple Scales (2023)
Julius von Rohrscheidt, Bastian RieckAbstract
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. -
A Topological Machine Learning Pipeline for Classification (2022)
Francesco Conti, Davide Moroni, Maria Antonietta PascaliAbstract
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. -
HERMES: Persistent Spectral Graph Software (2020)
Rui Wang, Rundong Zhao, Emily Ribando-Gros, Jiahui Chen, Yiying Tong, Guo-Wei WeiAbstract
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. -
Exploring the Geometry and Topology of Neural Network Loss Landscapes (2022)
Stefan Horoi, Jessie Huang, Bastian Rieck, Guillaume Lajoie, Guy Wolf, Smita KrishnaswamyAbstract
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. -
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. ReisAbstract
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.