Goto

Collaborating Authors

 cycle representative


GEFL: Extended Filtration Learning for Graph Classification

arXiv.org Artificial Intelligence

Extended persistence is a technique from topological data analysis to obtain global multiscale topological information from a graph. This includes information about connected components and cycles that are captured by the so-called persistence barcodes. We introduce extended persistence into a supervised learning framework for graph classification. Global topological information, in the form of a barcode with four different types of bars and their explicit cycle representatives, is combined into the model by the readout function which is computed by extended persistence. The entire model is end-to-end differentiable. We use a link-cut tree data structure and parallelism to lower the complexity of computing extended persistence, obtaining a speedup of more than 60x over the state-of-the-art for extended persistence computation. This makes extended persistence feasible for machine learning. We show that, under certain conditions, extended persistence surpasses both the WL[1] graph isomorphism test and 0-dimensional barcodes in terms of expressivity because it adds more global (topological) information. In particular, arbitrarily long cycles can be represented, which is difficult for finite receptive field message passing graph neural networks. Furthermore, we show the effectiveness of our method on real world datasets compared to many existing recent graph representation learning methods.


Minimal Cycle Representatives in Persistent Homology using Linear Programming: an Empirical Study with User's Guide

arXiv.org Machine Learning

Cycle representatives of persistent homology classes can be used to provide descriptions of topological features in data. However, the non-uniqueness of these representatives creates ambiguity and can lead to many different interpretations of the same set of classes. One approach to solving this problem is to optimize the choice of representative against some measure that is meaningful in the context of the data. In this work, we provide a study of the effectiveness and computational cost of several $\ell_1$-minimization optimization procedures for constructing homological cycle bases for persistent homology with rational coefficients in dimension one, including uniform-weighted and length-weighted edge-loss algorithms as well as uniform-weighted and area-weighted triangle-loss algorithms. We conduct these optimizations via standard linear programming methods, applying general-purpose solvers to optimize over column bases of simplicial boundary matrices. Our key findings are: (i) optimization is effective in reducing the size of cycle representatives, (ii) the computational cost of optimizing a basis of cycle representatives exceeds the cost of computing such a basis in most data sets we consider, (iii) the choice of linear solvers matters a lot to the computation time of optimizing cycles, (iv) the computation time of solving an integer program is not significantly longer than the computation time of solving a linear program for most of the cycle representatives, using the Gurobi linear solver, (v) strikingly, whether requiring integer solutions or not, we almost always obtain a solution with the same cost and almost all solutions found have entries in {-1, 0, 1} and therefore, are also solutions to a restricted $\ell_0$ optimization problem, and (vi) we obtain qualitatively different results for generators in Erd\H{o}s-R\'enyi random clique complexes.