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1. Visualizing Topological Importance: A Class-Driven Approach

   Qin, Yu; Terese Fasy, Brittany; Wenk, Carola; Summa, Brian (October 2023, IEEE Workshop on Topological Data Analysis and Visualization)

   This paper presents the first approach to visualize the importance of topological features that define classes of data. Topological features, with their ability to abstract the fundamental structure of complex data, are an integral component of visualization and analysis pipelines. Although not all topological features present in data are of equal importance. To date, the default definition of feature importance is often assumed and fixed. This work shows how proven explainable deep learning approaches can be adapted for use in topological classification. In doing so, it provides the first technique that illuminates what topological structures are important in each dataset in regards to their class label. In particular, the approach uses a learned metric classifier with a density estimator of the points of a persistence diagram as input. This metric learns how to reweigh this density such that classification accuracy is high. By extracting this weight, an importance field on persistent point density can be created. This provides an intuitive representation of persistence point importance that can be used to drive new visualizations. This work provides two examples: Visualization on each diagram directly and, in the case of sublevel set filtrations on images, directly on the images themselves. This work highlights 

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2. Learning metrics for persistence-based summaries and applications for graph classification

   Zhao, Qi; Wang, Yusu (November 2019, 33rd Conf. Neural Information Processing Systems (NeuRIPS))

   Recently a new feature representation framework based on a topological tool called persistent homology (and its persistence diagram summary) has gained much momentum. A series of methods have been developed to map a persistence diagram to a vector representation so as to facilitate the downstream use of machine learning tools. In these approaches, the importance (weight) of different persistence features are usually pre-set. However often in practice, the choice of the weight-functions hould depend on the nature of the specific data at hand. It is thus highly desirable to learn a best weight-function (and thus metric for persistence diagrams) from labelled data. We study this problem and develop a new weighted kernel, called WKPI, for persistence summaries, as well as an optimization framework to learn the weight (and thus kernel). We apply the learned kernel to the challenging task of graph classification, and show that our WKPI-based classification framework obtains similar or (sometimes significantly) better results than the best results from a range of previous graph classification frameworks on benchmark datasets. 

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3. Topological data analysis of spatial patterning in heterogeneous cell populations: clustering and sorting with varying cell-cell adhesion

   https://doi.org/10.1038/s41540-023-00302-8  

   Bhaskar, Dhananjay; Zhang, William Y.; Volkening, Alexandria; Sandstede, Björn; Wong, Ian Y. (December 2023, npj Systems Biology and Applications)

   Abstract Different cell types aggregate and sort into hierarchical architectures during the formation of animal tissues. The resulting spatial organization depends (in part) on the strength of adhesion of one cell type to itself relative to other cell types. However, automated and unsupervised classification of these multicellular spatial patterns remains challenging, particularly given their structural diversity and biological variability. Recent developments based on topological data analysis are intriguing to reveal similarities in tissue architecture, but these methods remain computationally expensive. In this article, we show that multicellular patterns organized from two interacting cell types can be efficiently represented through persistence images. Our optimized combination of dimensionality reduction via autoencoders, combined with hierarchical clustering, achieved high classification accuracy for simulations with constant cell numbers. We further demonstrate that persistence images can be normalized to improve classification for simulations with varying cell numbers due to proliferation. Finally, we systematically consider the importance of incorporating different topological features as well as information about each cell type to improve classification accuracy. We envision that topological machine learning based on persistence images will enable versatile and robust classification of complex tissue architectures that occur in development and disease. 

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4. Robust Persistence Diagrams using Reproducing Kernels

   Vishwanath, Siddharth; Fukumizu, Kenji; Kuriki, Satoshi and (January 2020, Advances in neural information processing systems)

   Larochelle, H.; Ranzato, M.; Hadsell, R.; Balcan, M.F.; and Lin, H. (Ed.)

   Persistent homology has become an important tool for extracting geometric and topological features from data, whose multi-scale features are summarized in a persistence diagram. From a statistical perspective, however, persistence diagrams are very sensitive to perturbations in the input space. In this work, we develop a framework for constructing robust persistence diagrams from superlevel filtrations of robust density estimators constructed using reproducing kernels. Using an analogue of the influence function on the space of persistence diagrams, we establish the proposed framework to be less sensitive to outliers. The robust persistence diagrams are shown to be consistent estimators in the bottleneck distance, with the convergence rate controlled by the smoothness of the kernel — this, in turn, allows us to construct uniform confidence bands in the space of persistence diagrams. Finally, we demonstrate the superiority of the proposed approach on benchmark datasets. 

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5. Persistent Classification: Understanding Adversarial Attacks by Studying Decision Boundary Dynamics

   https://doi.org/10.1002/sam.11716  

   Bell, Brian; Geyer, Michael; Glickenstein, David; Hamm, Keaton; Scheidegger, Carlos; Fernandez, Amanda; Moore, Juston (January 2025, Statistical Analysis and Data Mining: An ASA Data Science Journal)

   ABSTRACT There are a number of hypotheses underlying the existence of adversarial examples for classification problems. These include the high‐dimensionality of the data, the high codimension in the ambient space of the data manifolds of interest, and that the structure of machine learning models may encourage classifiers to develop decision boundaries close to data points. This article proposes a new framework for studying adversarial examples that does not depend directly on the distance to the decision boundary. Similarly to the smoothed classifier literature, we define a (natural or adversarial) data point to be (γ, σ)‐stable if the probability of the same classification is at least for points sampled in a Gaussian neighborhood of the point with a given standard deviation . We focus on studying the differences between persistence metrics along interpolants of natural and adversarial points. We show that adversarial examples have significantly lower persistence than natural examples for large neural networks in the context of the MNIST and ImageNet datasets. We connect this lack of persistence with decision boundary geometry by measuring angles of interpolants with respect to decision boundaries. Finally, we connect this approach with robustness by developing a manifold alignment gradient metric and demonstrating the increase in robustness that can be achieved when training with the addition of this metric. 

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