Topological Data Analysis of Neural Network Layer Representations

Topological data analysis uses tools from topology -- the mathematical area that studies shapes -- to create representations of data. In particular, in persistent homology, one studies one-parameter families of spaces associated with data, and persistence diagrams describe the lifetime of topological invariants, such as connected components or holes, across the one-parameter family. In many applications, one is interested in working with features associated with persistence d...

Characterizing the structural properties of neural networks is crucial yet poorly understood, and there are no well-established similarity measures between networks. In this work, we observe that neural networks can be represented as abstract simplicial complex and analyzed using their topological 'fingerprints' via Persistent Homology (PH). We then describe a PH-based representation proposed for characterizing and measuring similarity of neural networks. We empirically show ...

This survey provides a comprehensive exploration of applications of Topological Data Analysis (TDA) within neural network analysis. Using TDA tools such as persistent homology and Mapper, we delve into the intricate structures and behaviors of neural networks and their datasets. We discuss different strategies to obtain topological information from data and neural networks by means of TDA. Additionally, we review how topological information can be leveraged to analyze propert...

We use topological data analysis (TDA) to study how data transforms as it passes through successive layers of a deep neural network (DNN). We compute the persistent homology of the activation data for each layer of the network and summarize this information using persistence landscapes. The resulting feature map provides both an informative visual- ization of the network and a kernel for statistical analysis and machine learning. We observe that the topological complexity oft...

Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of parameters associated with a series of transformations defined by the model architecture, resulting in high-dimensional, difficult-to-interpret internal representations of input data. As DNNs become more ubiquitous across multiple sectors ...

Topology applied to real world data using persistent homology has started to find applications within machine learning, including deep learning. We present a differentiable topology layer that computes persistent homology based on level set filtrations and edge-based filtrations. We present three novel applications: the topological layer can (i) regularize data reconstruction or the weights of machine learning models, (ii) construct a loss on the output of a deep generative n...

We study how the topology of a data set $M = M_a \cup M_b \subseteq \mathbb{R}^d$, representing two classes $a$ and $b$ in a binary classification problem, changes as it passes through the layers of a well-trained neural network, i.e., with perfect accuracy on training set and near-zero generalization error ($\approx 0.01\%$). The goal is to shed light on two mysteries in deep neural networks: (i) a nonsmooth activation function like ReLU outperforms a smooth one like hyperbo...

The inner representation of deep neural networks (DNNs) is indecipherable, which makes it difficult to tune DNN models, control their training process, and interpret their outputs. In this paper, we propose a novel approach to investigate the inner representation of DNNs through topological data analysis (TDA). Persistent homology (PH), one of the outstanding methods in TDA, was employed for investigating the complexities of trained DNNs. We constructed clique complexes on tr...

The representations learned by deep neural networks are difficult to interpret in part due to their large parameter space and the complexities introduced by their multi-layer structure. We introduce a method for computing persistent homology over the graphical activation structure of neural networks, which provides access to the task-relevant substructures activated throughout the network for a given input. This topological perspective provides unique insights into the distri...

In this paper we present an approach to determine the smallest possible number of neurons in a layer of a neural network in such a way that the topology of the input space can be learned sufficiently well. We introduce a general procedure based on persistent homology to investigate topological invariants of the manifold on which we suspect the data set. We specify the required dimensions precisely, assuming that there is a smooth manifold on or near which the data are located...