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1. Visualizing Topological Importance: A Class-Driven Approach

   Qin, Yu; Fasy, Brittany Terese; 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 real-world examples of this approach visualizing the important topological features in graph, 3D shape, and medical image data. 

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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. Contractibility of a persistence map preimage

   https://doi.org/10.1007/s41468-020-00059-7  

   Cyranka, Jacek; Mischaikow, Konstantin; Weibel, Charles (December 2020, Journal of Applied and Computational Topology)

   null (Ed.)

   Abstract This work is motivated by the following question in data-driven study of dynamical systems: given a dynamical system that is observed via time series of persistence diagrams that encode topological features of snapshots of solutions, what conclusions can be drawn about solutions of the original dynamical system? We address this challenge in the context of an N dimensional system of ordinary differential equation defined in $${\mathbb {R}}^N$$ R N . To each point in $${\mathbb {R}}^N$$ R N (e.g. an initial condition) we associate a persistence diagram. The main result of this paper is that under this association the preimage of every persistence diagram is contractible. As an application we provide conditions under which multiple time series of persistence diagrams can be used to conclude the existence of a fixed point of the differential equation that generates the time series. 

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5. A Domain-Oblivious Approach for Learning Concise Representations of Filtered Topological Spaces for Clustering

   https://doi.org/10.1109/TVCG.2021.3114872  

   Qin, Yu; Fasy, Brittany Terese; Wenk, Carola; Summa, Brian (September 2021, IEEE Transactions on Visualization and Computer Graphics)

   Persistence diagrams have been widely used to quantify the underlying features of filtered topological spaces in data visualization. In many applications, computing distances between diagrams is essential; however, computing these distances has been challenging due to the computational cost. In this paper, we propose a persistence diagram hashing framework that learns a binary code representation of persistence diagrams, which allows for fast computation of distances. This framework is built upon a generative adversarial network (GAN) with a diagram distance loss function to steer the learning process. Instead of using standard representations, we hash diagrams into binary codes, which have natural advantages in large-scale tasks. The training of this model is domain-oblivious in that it can be computed purely from synthetic, randomly created diagrams. As a consequence, our proposed method is directly applicable to various datasets without the need for retraining the model. These binary codes, when compared using fast Hamming distance, better maintain topological similarity properties between datasets than other vectorized representations. To evaluate this method, we apply our framework to the problem of diagram clustering and we compare the quality and performance of our approach to the state-of-the-art. In addition, we show the scalability of our approach on a dataset with 10k persistence diagrams, which is not possible with current techniques. Moreover, our experimental results demonstrate that our method is significantly faster with the potential of less memory usage, while retaining comparable or better quality comparisons. 

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