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Hierarchical topological clustering

arXiv.org Machine Learning

Topological methods have the potential of exploring data clouds without making assumptions on their the structure. Here we propose a hierarchical topological clustering algorithm that can be implemented with any distance choice. The persistence of outliers and clusters of arbitrary shape is inferred from the resulting hierarchy. We demonstrate the potential of the algorithm on selected datasets in which outliers play relevant roles, consisting of images, medical and economic data. These methods can provide meaningful clusters in situations in which other techniques fail to do so.


The Flood Complex: Large-Scale Persistent Homology on Millions of Points

arXiv.org Artificial Intelligence

We consider the problem of computing persistent homology (PH) for large-scale Euclidean point cloud data, aimed at downstream machine learning tasks, where the exponential growth of the most widely-used Vietoris-Rips complex imposes serious computational limitations. Although more scalable alternatives such as the Alpha complex or sparse Rips approximations exist, they often still result in a prohibitively large number of simplices. This poses challenges in the complex construction and in the subsequent PH computation, prohibiting their use on large-scale point clouds. To mitigate these issues, we introduce the Flood complex, inspired by the advantages of the Alpha and Witness complex constructions. Informally, at a given filtration value $r\geq 0$, the Flood complex contains all simplices from a Delaunay triangulation of a small subset of the point cloud $X$ that are fully covered by balls of radius $r$ emanating from $X$, a process we call flooding. Our construction allows for efficient PH computation, possesses several desirable theoretical properties, and is amenable to GPU parallelization. Scaling experiments on 3D point cloud data show that we can compute PH of up to dimension 2 on several millions of points. Importantly, when evaluating object classification performance on real-world and synthetic data, we provide evidence that this scaling capability is needed, especially if objects are geometrically or topologically complex, yielding performance superior to other PH-based methods and neural networks for point cloud data.


Topological Machine Learning with Unreduced Persistence Diagrams

arXiv.org Machine Learning

Supervised machine learning pipelines trained on features derived from persistent homology have been experimentally observed to ignore much of the information contained in a persistence diagram. Computing persistence diagrams is often the most computationally demanding step in such a pipeline, however. To explore this, we introduce several methods to generate topological feature vectors from unreduced boundary matrices. We compared the performance of pipelines trained on vectorizations of unreduced PDs to vectorizations of fully-reduced PDs across several data and task types. Our results indicate that models trained on PDs built from unreduced diagrams can perform on par and even outperform those trained on fully-reduced diagrams on some tasks. This observation suggests that machine learning pipelines which incorporate topology-based features may benefit in terms of computational cost and performance by utilizing information contained in unreduced boundary matrices.


CliquePH: Higher-Order Information for Graph Neural Networks through Persistent Homology on Clique Graphs

arXiv.org Artificial Intelligence

Graph neural networks have become the default choice by practitioners for graph learning tasks such as graph classification and node classification. Nevertheless, popular graph neural network models still struggle to capture higher-order information, i.e., information that goes \emph{beyond} pairwise interactions. Recent work has shown that persistent homology, a tool from topological data analysis, can enrich graph neural networks with topological information that they otherwise could not capture. Calculating such features is efficient for dimension 0 (connected components) and dimension 1 (cycles). However, when it comes to higher-order structures, it does not scale well, with a complexity of $O(n^d)$, where $n$ is the number of nodes and $d$ is the order of the structures. In this work, we introduce a novel method that extracts information about higher-order structures in the graph while still using the efficient low-dimensional persistent homology algorithm. On standard benchmark datasets, we show that our method can lead to up to $31\%$ improvements in test accuracy.


Euler Characteristic Curves and Profiles: a stable shape invariant for big data problems

arXiv.org Artificial Intelligence

Tools of Topological Data Analysis provide stable summaries encapsulating the shape of the considered data. Persistent homology, the most standard and well studied data summary, suffers a number of limitations; its computations are hard to distribute, it is hard to generalize to multifiltrations and is computationally prohibitive for big data-sets. In this paper we study the concept of Euler Characteristics Curves, for one parameter filtrations and Euler Characteristic Profiles, for multi-parameter filtrations. While being a weaker invariant in one dimension, we show that Euler Characteristic based approaches do not possess some handicaps of persistent homology; we show efficient algorithms to compute them in a distributed way, their generalization to multifiltrations and practical applicability for big data problems. In addition we show that the Euler Curves and Profiles enjoys certain type of stability which makes them robust tool in data analysis. Lastly, to show their practical applicability, multiple use-cases are considered.


Monitoring weeder robots and anticipating their functioning by using advanced topological data analysis

arXiv.org Artificial Intelligence

The present paper aims at analyzing the topological content of the complex trajectories that weeder-autonomous robots follow in operation. We will prove that the topological descriptors of these trajectories are affected by the robot environment as well as by the robot state, with respect to maintenance operations. Topological Data Analysis will be used for extracting the trajectory descriptors, based on homology persistence. Then, appropriate metrics will be applied in order to compare that topological representation of the trajectories, for classifying them or for making efficient pattern recognition.


Graph Filtration Learning

arXiv.org Machine Learning

We propose an approach to learning with graph-structured data in the problem domain of graph classification. In particular, we present a novel type of readout operation to aggregate node features into a graph-level representation. To this end, we leverage persistent homology computed via a real-valued, learnable, filter function. We establish the theoretical foundation for differentiating through the persistent homology computation. Empirically, we show that this type of readout operation compares favorably to previous techniques, especially when the graph connectivity structure is informative for the learning problem.