Topological Signal Processing and Learning: Recent Advances and Future Challenges

Developing methods to process irregularly structured data is crucial in applications like gene-regulatory, brain, power, and socioeconomic networks. Graphs have been the go-to algebraic tool for modeling the structure via nodes and edges capturing their interactions, leading to the establishment of the fields of graph signal processing (GSP) and graph machine learning (GML). Key graph-aware methods include Fourier transform, filtering, sampling, as well as topology identification and spatiotemporal processing. Although versatile, graphs can model only pairwise dependencies in the data. To this end, topological structures such as simplicial and cell complexes have emerged as algebraic representations for more intricate structure modeling in data-driven systems, fueling the rapid development of novel topological-based processing and learning methods. This paper first presents the core principles of topological signal processing through the Hodge theory, a framework instrumental in propelling the field forward thanks to principled connections with GSP-GML. It then outlines advances in topological signal representation, filtering, and sampling, as well as inferring topological structures from data, processing spatiotemporal topological signals, and connections with topological machine learning. The impact of topological signal processing and learning is finally highlighted in applications dealing with flow data over networks, geometric processing, statistical ranking, biology, and semantic communication.

Sparse Covariance Neural Networks

Covariance Neural Networks (VNNs) perform graph convolutions on the covariance matrix of tabular data and achieve success in a variety of applications. However, the empirical covariance matrix on which the VNNs operate may contain many spurious correlations, making VNNs' performance inconsistent due to these noisy estimates and decreasing their computational efficiency. To tackle this issue, we put forth Sparse coVariance Neural Networks (S-VNNs), a framework that applies sparsification techniques on the sample covariance matrix before convolution. When the true covariance matrix is sparse, we propose hard and soft thresholding to improve covariance estimation and reduce computational cost. Instead, when the true covariance is dense, we propose stochastic sparsification where data correlations are dropped in probability according to principled strategies. We show that S-VNNs are more stable than nominal VNNs as well as sparse principal component analysis. By analyzing the impact of sparsification on their behavior, we provide novel connections between S-VNN stability and data distribution. We support our theoretical findings with experimental results on various application scenarios, ranging from brain data to human action recognition, and show an improved task performance, stability, and computational efficiency of S-VNNs compared with nominal VNNs.

Spatiotemporal Covariance Neural Networks

Modeling spatiotemporal interactions in multivariate time series is key to their effective processing, but challenging because of their irregular and often unknown structure. Statistical properties of the data provide useful biases to model interdependencies and are leveraged by correlation and covariance-based networks as well as by processing pipelines relying on principal component analysis (PCA). However, PCA and its temporal extensions suffer instabilities in the covariance eigenvectors when the corresponding eigenvalues are close to each other, making their application to dynamic and streaming data settings challenging. To address these issues, we exploit the analogy between PCA and graph convolutional filters to introduce the SpatioTemporal coVariance Neural Network (STVNN), a relational learning model that operates on the sample covariance matrix of the time series and leverages joint spatiotemporal convolutions to model the data. To account for the streaming and non-stationary setting, we consider an online update of the parameters and sample covariance matrix. We prove the STVNN is stable to the uncertainties introduced by these online estimations, thus improving over temporal PCA-based methods. Experimental results corroborate our theoretical findings and show that STVNN is competitive for multivariate time series processing, it adapts to changes in the data distribution, and it is orders of magnitude more stable than online temporal PCA.

Online Learning Of Expanding Graphs

This paper addresses the problem of online network topology inference for expanding graphs from a stream of spatiotemporal signals. Online algorithms for dynamic graph learning are crucial in delay-sensitive applications or when changes in topology occur rapidly. While existing works focus on inferring the connectivity within a fixed set of nodes, in practice, the graph can grow as new nodes join the network. This poses additional challenges like modeling temporal dynamics involving signals and graphs of different sizes. This growth also increases the computational complexity of the learning process, which may become prohibitive. To the best of our knowledge, this is the first work to tackle this setting. We propose a general online algorithm based on projected proximal gradient descent that accounts for the increasing graph size at each iteration. Recursively updating the sample covariance matrix is a key aspect of our approach. We introduce a strategy that enables different types of updates for nodes that just joined the network and for previously existing nodes. To provide further insights into the proposed method, we specialize it in Gaussian Markov random field settings, where we analyze the computational complexity and characterize the dynamic cumulative regret. Finally, we demonstrate the effectiveness of the proposed approach using both controlled experiments and real-world datasets from epidemic and financial networks.

Fair CoVariance Neural Networks

Covariance-based data processing is widespread across signal processing and machine learning applications due to its ability to model data interconnectivities and dependencies. However, harmful biases in the data may become encoded in the sample covariance matrix and cause data-driven methods to treat different subpopulations unfairly. Existing works such as fair principal component analysis (PCA) mitigate these effects, but remain unstable in low sample regimes, which in turn may jeopardize the fairness goal. To address both biases and instability, we propose Fair coVariance Neural Networks (FVNNs), which perform graph convolutions on the covariance matrix for both fair and accurate predictions. Our FVNNs provide a flexible model compatible with several existing bias mitigation techniques. In particular, FVNNs allow for mitigating the bias in two ways: first, they operate on fair covariance estimates that remove biases from their principal components; second, they are trained in an end-to-end fashion via a fairness regularizer in the loss function so that the model parameters are tailored to solve the task directly in a fair manner. We prove that FVNNs are intrinsically fairer than analogous PCA approaches thanks to their stability in low sample regimes. We validate the robustness and fairness of our model on synthetic and real-world data, showcasing the flexibility of FVNNs along with the tradeoff between fair and accurate performance.

Higher-Order Topological Directionality and Directed Simplicial Neural Networks

Topological Deep Learning (TDL) has emerged as a paradigm to process and learn from signals defined on higher-order combinatorial topological spaces, such as simplicial or cell complexes. Although many complex systems have an asymmetric relational structure, most TDL models forcibly symmetrize these relationships. In this paper, we first introduce a novel notion of higher-order directionality and we then design Directed Simplicial Neural Networks (Dir-SNNs) based on it. Dir-SNNs are message-passing networks operating on directed simplicial complexes able to leverage directed and possibly asymmetric interactions among the simplices. To our knowledge, this is the first TDL model using a notion of higher-order directionality. We theoretically and empirically prove that Dir-SNNs are more expressive than their directed graph counterpart in distinguishing isomorphic directed graphs. Experiments on a synthetic source localization task demonstrate that Dir-SNNs outperform undirected SNNs when the underlying complex is directed, and perform comparably when the underlying complex is undirected.

Tracking Network Dynamics using Probabilistic State-Space Models

This paper introduces a probabilistic approach for tracking the dynamics of unweighted and directed graphs using state-space models (SSMs). Unlike conventional topology inference methods that assume static graphs and generate point-wise estimates, our method accounts for dynamic changes in the network structure over time. We model the network at each timestep as the state of the SSM, and use observations to update beliefs that quantify the probability of the network being in a particular state. Then, by considering the dynamics of transition and observation models through the update and prediction steps, respectively, the proposed method can incorporate the information of real-time graph signals into the beliefs. These beliefs provide a probability distribution of the network at each timestep, being able to provide both an estimate for the network and the uncertainty it entails. Our approach is evaluated through experiments with synthetic and real-world networks. The results demonstrate that our method effectively estimates network states and accounts for the uncertainty in the data, outperforming traditional techniques such as recursive least squares.

Online Graph Filtering Over Expanding Graphs

Graph filters are a staple tool for processing signals over graphs in a multitude of downstream tasks. However, they are commonly designed for graphs with a fixed number of nodes, despite real-world networks typically grow over time. This topological evolution is often known up to a stochastic model, thus, making conventional graph filters ill-equipped to withstand such topological changes, their uncertainty, as well as the dynamic nature of the incoming data. To tackle these issues, we propose an online graph filtering framework by relying on online learning principles. We design filters for scenarios where the topology is both known and unknown, including a learner adaptive to such evolution. We conduct a regret analysis to highlight the role played by the different components such as the online algorithm, the filter order, and the growing graph model. Numerical experiments with synthetic and real data corroborate the proposed approach for graph signal inference tasks and show a competitive performance w.r.t. baselines and state-of-the-art alternatives.

Learning graphs and simplicial complexes from data

Graphs are widely used to represent complex information and signal domains with irregular support. Typically, the underlying graph topology is unknown and must be estimated from the available data. Common approaches assume pairwise node interactions and infer the graph topology based on this premise. In contrast, our novel method not only unveils the graph topology but also identifies three-node interactions, referred to in the literature as second-order simplicial complexes (SCs). We model signals using a graph autoregressive Volterra framework, enhancing it with structured graph Volterra kernels to learn SCs. We propose a mathematical formulation for graph and SC inference, solving it through convex optimization involving group norms and mask matrices. Experimental results on synthetic and real-world data showcase a superior performance for our approach compared to existing methods.

On the Trade-Off between Stability and Representational Capacity in Graph Neural Networks

Analyzing the stability of graph neural networks (GNNs) under topological perturbations is key to understanding their transferability and the role of each architecture component. However, stability has been investigated only for particular architectures, questioning whether it holds for a broader spectrum of GNNs or only for a few instances. To answer this question, we study the stability of EdgeNet: a general GNN framework that unifies more than twenty solutions including the convolutional and attention-based classes, as well as graph isomorphism networks and hybrid architectures. We prove that all GNNs within the EdgeNet framework are stable to topological perturbations. By studying the effect of different EdgeNet categories on the stability, we show that GNNs with fewer degrees of freedom in their parameter space, linked to a lower representational capacity, are more stable. The key factor yielding this trade-off is the eigenvector misalignment between the EdgeNet parameter matrices and the graph shift operator. For example, graph convolutional neural networks that assign a single scalar per signal shift (hence, with a perfect alignment) are more stable than the more involved node or edge-varying counterparts. Extensive numerical results corroborate our theoretical findings and highlight the role of different architecture components in the trade-off.