Claudio Battiloro

Mathilde Papillon, Mustafa Hajij, Helen Jenne et al.

This paper presents the computational challenge on topological deep learning that was hosted within the ICML 2023 Workshop on Topology and Geometry in Machine Learning. The competition asked participants to provide open-source implementations of topological neural networks from the literature by contributing to the python packages TopoNetX (data processing) and TopoModelX (deep learning). The challenge attracted twenty-eight qualifying submissions in its two-month duration. This paper describes the design of the challenge and summarizes its main findings.

Lorenzo Giusti, Claudio Battiloro, Lucia Testa et al.

Since their introduction, graph attention networks achieved outstanding results in graph representation learning tasks. However, these networks consider only pairwise relationships among nodes and then they are not able to fully exploit higher-order interactions present in many real world data-sets. In this paper, we introduce Cell Attention Networks (CANs), a neural architecture operating on data defined over the vertices of a graph, representing the graph as the 1-skeleton of a cell complex introduced to capture higher order interactions. In particular, we exploit the lower and upper neighborhoods, as encoded in the cell complex, to design two independent masked self-attention mechanisms, thus generalizing the conventional graph attention strategy. The approach used in CANs is hierarchical and it incorporates the following steps: i) a lifting algorithm that learns {\it edge features} from {\it node features}; ii) a cell attention mechanism to find the optimal combination of edge features over both lower and upper neighbors; iii) a hierarchical {\it edge pooling} mechanism to extract a compact meaningful set of features. The experimental results show that CAN is a low complexity strategy that compares favorably with state of the art results on graph-based learning tasks.

Claudio Battiloro, Lucia Testa, Lorenzo Giusti et al.

Graph machine learning methods excel at leveraging pairwise relations present in the data. However, graphs are unable to fully capture the multi-way interactions inherent in many complex systems. An effective way to incorporate them is to model the data on higher-order combinatorial topological spaces, such as Simplicial Complexes (SCs) or Cell Complexes. For this reason, we introduce Generalized Simplicial Attention Neural Networks (GSANs), novel neural network architectures designed to process data living on simplicial complexes using masked self-attentional layers. Hinging on topological signal processing principles, we devise a series of principled self-attention mechanisms able to process data associated with simplices of various order, such as nodes, edges, triangles, and beyond. These schemes learn how to combine data associated with neighbor simplices of consecutive order in a task-oriented fashion, leveraging on the simplicial Dirac operator and its Dirac decomposition. We also prove that GSAN satisfies two fundamental properties: permutation equivariance and simplicial-awareness. Finally, we illustrate how our approach compares favorably with other simplicial and graph models when applied to several (inductive and transductive) tasks such as trajectory prediction, missing data imputation, graph classification, and simplex prediction.

Claudio Battiloro, Zhiyang Wang, Hans Riess et al.

In this work we introduce a convolution operation over the tangent bundle of Riemann manifolds in terms of exponentials of the Connection Laplacian operator. We define tangent bundle filters and tangent bundle neural networks (TNNs) based on this convolution operation, which are novel continuous architectures operating on tangent bundle signals, i.e. vector fields over the manifolds. Tangent bundle filters admit a spectral representation that generalizes the ones of scalar manifold filters, graph filters and standard convolutional filters in continuous time. We then introduce a discretization procedure, both in the space and time domains, to make TNNs implementable, showing that their discrete counterpart is a novel principled variant of the very recently introduced sheaf neural networks. We formally prove that this discretized architecture converges to the underlying continuous TNN. Finally, we numerically evaluate the effectiveness of the proposed architecture on various learning tasks, both on synthetic and real data.

Claudio Battiloro, Zhiyang Wang, Hans Riess et al.

In this work we introduce a convolution operation over the tangent bundle of Riemannian manifolds exploiting the Connection Laplacian operator. We use the convolution to define tangent bundle filters and tangent bundle neural networks (TNNs), novel continuous architectures operating on tangent bundle signals, i.e. vector fields over manifolds. We discretize TNNs both in space and time domains, showing that their discrete counterpart is a principled variant of the recently introduced Sheaf Neural Networks. We formally prove that this discrete architecture converges to the underlying continuous TNN. We numerically evaluate the effectiveness of the proposed architecture on a denoising task of a tangent vector field over the unit 2-sphere.

Domenico Mattia Cinque, Claudio Battiloro, Paolo Di Lorenzo

The goal of this paper is to introduce pooling strategies for simplicial convolutional neural networks. Inspired by graph pooling methods, we introduce a general formulation for a simplicial pooling layer that performs: i) local aggregation of simplicial signals; ii) principled selection of sampling sets; iii) downsampling and simplicial topology adaptation. The general layer is then customized to design four different pooling strategies (i.e., max, top-k, self-attention, and separated top-k) grounded in the theory of topological signal processing. Also, we leverage the proposed layers in a hierarchical architecture that reduce complexity while representing data at different resolutions. Numerical results on real data benchmarks (i.e., flow and graph classification) illustrate the advantage of the proposed methods with respect to the state of the art.

Manuel Lecha, Andrea Cavallo, Francesca Dominici et al.

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.

Guillermo Bernárdez, Lev Telyatnikov, Marco Montagna et al.

This paper describes the 2nd edition of the ICML Topological Deep Learning Challenge that was hosted within the ICML 2024 ELLIS Workshop on Geometry-grounded Representation Learning and Generative Modeling (GRaM). The challenge focused on the problem of representing data in different discrete topological domains in order to bridge the gap between Topological Deep Learning (TDL) and other types of structured datasets (e.g. point clouds, graphs). Specifically, participants were asked to design and implement topological liftings, i.e. mappings between different data structures and topological domains --like hypergraphs, or simplicial/cell/combinatorial complexes. The challenge received 52 submissions satisfying all the requirements. This paper introduces the main scope of the challenge, and summarizes the main results and findings.

Claudio Battiloro, Ege Karaismailoğlu, Mauricio Tec et al.

Graph neural networks excel at modeling pairwise interactions, but they cannot flexibly accommodate higher-order interactions and features. Topological deep learning (TDL) has emerged recently as a promising tool for addressing this issue. TDL enables the principled modeling of arbitrary multi-way, hierarchical higher-order interactions by operating on combinatorial topological spaces, such as simplicial or cell complexes, instead of graphs. However, little is known about how to leverage geometric features such as positions and velocities for TDL. This paper introduces E(n)-Equivariant Topological Neural Networks (ETNNs), which are E(n)-equivariant message-passing networks operating on combinatorial complexes, formal objects unifying graphs, hypergraphs, simplicial, path, and cell complexes. ETNNs incorporate geometric node features while respecting rotation, reflection, and translation equivariance. Moreover, being TDL models, ETNNs are natively ready for settings with heterogeneous interactions. We provide a theoretical analysis to show the improved expressiveness of ETNNs over architectures for geometric graphs. We also show how E(n)-equivariant variants of TDL models can be directly derived from our framework. The broad applicability of ETNNs is demonstrated through two tasks of vastly different scales: i) molecular property prediction on the QM9 benchmark and ii) land-use regression for hyper-local estimation of air pollution with multi-resolution irregular geospatial data. The results indicate that ETNNs are an effective tool for learning from diverse types of richly structured data, as they match or surpass SotA equivariant TDL models with a significantly smaller computational burden, thus highlighting the benefits of a principled geometric inductive bias. Our implementation of ETNNs can be found at https://github.com/NSAPH-Projects/topological-equivariant-networks.

Lev Telyatnikov, Guillermo Bernardez, Marco Montagna et al.

This work introduces TopoBench, an open-source library designed to standardize benchmarking and accelerate research in topological deep learning (TDL). TopoBench decomposes TDL into a sequence of independent modules for data generation, loading, transforming and processing, as well as model training, optimization and evaluation. This modular organization provides flexibility for modifications and facilitates the adaptation and optimization of various TDL pipelines. A key feature of TopoBench is its support for transformations and lifting across topological domains. Mapping the topology and features of a graph to higher-order topological domains, such as simplicial and cell complexes, enables richer data representations and more fine-grained analyses. The applicability of TopoBench is demonstrated by benchmarking several TDL architectures across diverse tasks and datasets.

Claudio Battiloro, Pietro Greiner, Dario Rancati et al.

As learning systems increasingly shape everyday decisions, Algorithmic Collective Action (ACA), i.e., users coordinating changes to shared data to steer model behavior, offers a complement to regulator-side policy and corporate model design. Real-world collective actions have traditionally been decentralized and fragmented into multiple collectives, despite sharing overarching objectives, with each collective differing in size, strategy, and actionable goals. However, most of the ACA literature focuses on single collective settings. To address this, we propose the first comprehensive statistical framework for ACA with multiple collectives acting on the same system. In particular, we focus on collective action in classification, studying how multiple collectives can influence a classifier's behavior. We provide quantitative statistical bounds on the success of the collectives, considering the role and the interplay of the collectives' sizes and the alignment of their goals. We make such bounds computable by each collective with only partial knowledge of other collectives' sizes and strategies. Finally, we numerically illustrate our framework on simulations inspired by interventions for climate adaptation in smart cities, demonstrating the usefulness of our bounds.

Kartik Tandon, Julian Gould, Tanishq Bhatia et al.

Modern deep learning architectures increasingly contend with sophisticated signals that are natively infinite-dimensional, such as time series, probability distributions, or operators, and are defined over irregular domains. Yet, a unified learning theory for these settings has been lacking. To start addressing this gap, we introduce a novel convolutional learning framework for possibly infinite-dimensional signals supported on a manifold. Namely, we use the connection Laplacian associated with a Hilbert bundle as a convolutional operator, and we derive filters and neural networks, dubbed as \textit{HilbNets}. We make HilbNets and, more generally, the convolution operation, implementable via a two-stage sampling procedure. First, we show that sampling the manifold induces a Hilbert Cellular Sheaf, a generalized graph structure with Hilbert feature spaces and edge-wise coupling rules, and we prove that its sheaf Laplacian converges in probability to the underlying connection Laplacian as the sampling density increases. Notably, this result is a generalization to the infinite-dimensional bundle setting of the Belkin \& Niyogi \cite{BELKIN20081289} convergence result for the graph Laplacian to the manifold Laplacian, a theoretical cornerstone of geometric learning methods. Second, we discretize the signals and prove that the discretized (implementable) HilbNets converge to the underlying continuous architectures and are transferable across different samplings of the same bundle, providing consistency for learning. Finally, we validate our framework on synthetic and real-world tasks. Overall, our results broaden the scope of geometric learning as a whole by lifting classical Laplacian-based frameworks to settings where the signal at each point lives in its own Hilbert space.

Mustafa Hajij, Mathilde Papillon, Florian Frantzen et al.

We introduce TopoX, a Python software suite that provides reliable and user-friendly building blocks for computing and machine learning on topological domains that extend graphs: hypergraphs, simplicial, cellular, path and combinatorial complexes. TopoX consists of three packages: TopoNetX facilitates constructing and computing on these domains, including working with nodes, edges and higher-order cells; TopoEmbedX provides methods to embed topological domains into vector spaces, akin to popular graph-based embedding algorithms such as node2vec; TopoModelX is built on top of PyTorch and offers a comprehensive toolbox of higher-order message passing functions for neural networks on topological domains. The extensively documented and unit-tested source code of TopoX is available under MIT license at https://pyt-team.github.io/}{https://pyt-team.github.io/.

Simone Fiorellino, Claudio Battiloro, Emilio Calvanese Strinati et al.

In future 6G wireless networks, semantic and effectiveness aspects of communications will play a fundamental role, incorporating meaning and relevance into transmissions. However, obstacles arise when devices employ diverse languages, logic, or internal representations, leading to semantic mismatches that might jeopardize understanding. In latent space communication, this challenge manifests as misalignment within high-dimensional representations where deep neural networks encode data. This paper presents a novel framework for goal-oriented semantic communication, leveraging relative representations to mitigate semantic mismatches via latent space alignment. We propose a dynamic optimization strategy that adapts relative representations, communication parameters, and computation resources for energy-efficient, low-latency, goal-oriented semantic communications. Numerical results demonstrate our methodology's effectiveness in mitigating mismatches among devices, while optimizing energy consumption, delay, and effectiveness.

Lucia Testa, Claudio Battiloro, Stefania Sardellitti et al.

In this work, we study the problem of stability of Graph Convolutional Neural Networks (GCNs) under random small perturbations in the underlying graph topology, i.e. under a limited number of insertions or deletions of edges. We derive a novel bound on the expected difference between the outputs of unperturbed and perturbed GCNs. The proposed bound explicitly depends on the magnitude of the perturbation of the eigenpairs of the Laplacian matrix, and the perturbation explicitly depends on which edges are inserted or deleted. Then, we provide a quantitative characterization of the effect of perturbing specific edges on the stability of the network. We leverage tools from small perturbation analysis to express the bounds in closed, albeit approximate, form, in order to enhance interpretability of the results, without the need to compute any perturbed shift operator. Finally, we numerically evaluate the effectiveness of the proposed bound.

Rubén Ballester, Pablo Hernández-García, Mathilde Papillon et al.

Topological Deep Learning seeks to enhance the predictive performance of neural network models by harnessing topological structures in input data. Topological neural networks operate on spaces such as cell complexes and hypergraphs, that can be seen as generalizations of graphs. In this work, we introduce the Cellular Transformer (CT), a novel architecture that generalizes graph-based transformers to cell complexes. First, we propose a new formulation of the usual self- and cross-attention mechanisms, tailored to leverage incidence relations in cell complexes, e.g., edge-face and node-edge relations. Additionally, we propose a set of topological positional encodings specifically designed for cell complexes. By transforming three graph datasets into cell complex datasets, our experiments reveal that CT not only achieves state-of-the-art performance, but it does so without the need for more complex enhancements such as virtual nodes, in-domain structural encodings, or graph rewiring.

Simone Fiorellino, Claudio Battiloro, Paolo Di Lorenzo

Topological neural networks (TNNs) are information processing architectures that model representations from data lying over topological spaces (e.g., simplicial or cell complexes) and allow for decentralized implementation through localized communications over different neighborhoods. Existing TNN architectures have not yet been considered in realistic communication scenarios, where channel effects typically introduce disturbances such as fading and noise. This paper aims to propose a novel TNN design, operating on regular cell complexes, that performs over-the-air computation, incorporating the wireless communication model into its architecture. Specifically, during training and inference, the proposed method considers channel impairments such as fading and noise in the topological convolutional filtering operation, which takes place over different signal orders and neighborhoods. Numerical results illustrate the architecture's robustness to channel impairments during testing and the superior performance with respect to existing architectures, which are either communication-agnostic or graph-based.

Manuel Lecha, Andrea Cavallo, Francesca Dominici et al.

Graph Neural Networks (GNNs) excel at learning from pairwise interactions but often overlook multi-way and hierarchical relationships. Topological Deep Learning (TDL) addresses this limitation by leveraging combinatorial topological spaces. However, existing TDL models are restricted to undirected settings and fail to capture the higher-order directed patterns prevalent in many complex systems, e.g., brain networks, where such interactions are both abundant and functionally significant. To fill this gap, we introduce Semi-Simplicial Neural Networks (SSNs), a principled class of TDL models that operate on semi-simplicial sets -- combinatorial structures that encode directed higher-order motifs and their directional relationships. To enhance scalability, we propose Routing-SSNs, which dynamically select the most informative relations in a learnable manner. We prove that SSNs are strictly more expressive than standard graph and TDL models. We then introduce a new principled framework for brain dynamics representation learning, grounded in the ability of SSNs to provably recover topological descriptors shown to successfully characterize brain activity. Empirically, SSNs achieve state-of-the-art performance on brain dynamics classification tasks, outperforming the second-best model by up to 27%, and message passing GNNs by up to 50% in accuracy. Our results highlight the potential of principled topological models for learning from structured brain data, establishing a unique real-world case study for TDL. We also test SSNs on standard node classification and edge regression tasks, showing competitive performance. We will make the code and data publicly available.

Lorenzo Marinucci, Claudio Battiloro, Paolo Di Lorenzo

This paper introduces a novel adaptive framework for processing dynamic flow signals over simplicial complexes, extending classical least-mean-squares (LMS) methods to high-order topological domains. Building on discrete Hodge theory, we present a topological LMS algorithm that efficiently processes streaming signals observed over time-varying edge subsets. We provide a detailed stochastic analysis of the algorithm, deriving its stability conditions, steady-state mean-square-error, and convergence speed, while exploring the impact of edge sampling on performance. We also propose strategies to design optimal edge sampling probabilities, minimizing rate while ensuring desired estimation accuracy. Assuming partial knowledge of the complex structure (e.g., the underlying graph), we introduce an adaptive topology inference method that integrates with the proposed LMS framework. Additionally, we propose a distributed version of the algorithm and analyze its stability and mean-square-error properties. Empirical results on synthetic and real-world traffic data demonstrate that our approach, in both centralized and distributed settings, outperforms graph-based LMS methods by leveraging higher-order topological features.

Gabriele D'Acunto, Claudio Battiloro

Recent advances in artificial intelligence reveal the limits of purely predictive systems and call for a shift toward causal and collaborative reasoning. Drawing inspiration from the revolution of Grothendieck in mathematics, we introduce the relativity of causal knowledge, which posits structural causal models (SCMs) are inherently imperfect, subjective representations embedded within networks of relationships. By leveraging category theory, we arrange SCMs into a functor category and show that their observational and interventional probability measures naturally form convex structures. This result allows us to encode non-intervened SCMs with convex spaces of probability measures. Next, using sheaf theory, we construct the network sheaf and cosheaf of causal knowledge. These structures enable the transfer of causal knowledge across the network while incorporating interventional consistency and the perspective of the subjects, ultimately leading to the formal, mathematical definition of relative causal knowledge.

Julian Kleutgens, Claudio Battiloro, Lingkai Kong et al.

Discrete diffusion models (DMs) have achieved strong performance in language and other discrete domains, offering a compelling alternative to autoregressive modeling. Yet this performance typically depends on large training datasets, challenging the performance of DMs in small-data regimes -- common under real-world constraints. Aimed at this challenge, recent work in continuous DMs suggests that transfer learning via classifier ratio-based guidance can adapt a pretrained DM to a related target distribution, often outperforming alternatives such as full-weight fine-tuning on the target data. By contrast, transfer learning for discrete DMs remains unexplored. We address this gap by exploring practical analogues of ratio-based transfer learning for discrete DMs. Our theoretical analysis shows that a direct extension of existing ratio-based guidance is computationally prohibitive, scaling with vocabulary size. To overcome this limitation, we introduce a scheduling mechanism that yields a practical algorithm, Guided Transfer Learning for discrete diffusion models (GTL). GTL enables sampling from a target distribution without modifying the pretrained denoiser and reduces the cost to linear scaling in vocabulary size, which in turn supports longer sequence generation. We evaluate GTL on sequential data, including synthetic Markov chains and language modeling tasks, and provide a detailed empirical analysis of its behavior. The results highlight a clear trade-off: when target datasets are large, weight fine-tuning is often preferable, whereas GTL becomes increasingly effective as target data shrinks. Finally, we experimentally demonstrate a key failure mode of GTL: when the source and target distributions overlap poorly, the ratio-based classifier required for guidance becomes unreliable, limiting transfer performance.

Claudio Battiloro, Andrea Cavallo, Elvin Isufi

CoVariance Neural Networks (VNNs) perform graph convolutions on the empirical covariance matrix of signals defined over finite-dimensional Hilbert spaces, motivated by robustness and transferability properties. Yet, little is known about how these arguments extend to infinite-dimensional Hilbert spaces. In this work, we take a first step by introducing a novel convolutional learning framework for signals defined over infinite-dimensional Hilbert spaces, centered on the (empirical) covariance operator. We constructively define Hilbert coVariance Filters (HVFs) and design Hilbert coVariance Networks (HVNs) as stacks of HVF filterbanks with nonlinear activations. We propose a principled discretization procedure, and we prove that empirical HVFs can recover the Functional PCA (FPCA) of the filtered signals. We then describe the versatility of our framework with examples ranging from multivariate real-valued functions to reproducing kernel Hilbert spaces. Finally, we validate HVNs on both synthetic and real-world time-series classification tasks, showing robust performance compared to MLP and FPCA-based classifiers.

Claudio Battiloro, Pietro Greiner, Bret Nestor et al.

As learning systems increasingly influence everyday decisions, user-side steering via Algorithmic Collective Action (ACA)-coordinated changes to shared data-offers a complement to regulator-side policy and firm-side model design. Although real-world actions have been traditionally decentralized and fragmented into multiple collectives despite sharing overarching objectives-with each collective differing in size, strategy, and actionable goals, most of the ACA literature focused on single collective settings. In this work, we present the first theoretical framework for ACA with multiple collectives acting on the same system. In particular, we focus on collective action in classification, studying how multiple collectives can plant signals, i.e., bias a classifier to learn an association between an altered version of the features and a chosen, possibly overlapping, set of target classes. We provide quantitative results about the role and the interplay of collectives' sizes and their alignment of goals. Our framework, by also complementing previous empirical results, opens a path for a holistic treatment of ACA with multiple collectives.

Claudio Battiloro, Indro Spinelli, Lev Telyatnikov et al.

Latent Graph Inference (LGI) relaxed the reliance of Graph Neural Networks (GNNs) on a given graph topology by dynamically learning it. However, most of LGI methods assume to have a (noisy, incomplete, improvable, ...) input graph to rewire and can solely learn regular graph topologies. In the wake of the success of Topological Deep Learning (TDL), we study Latent Topology Inference (LTI) for learning higher-order cell complexes (with sparse and not regular topology) describing multi-way interactions between data points. To this aim, we introduce the Differentiable Cell Complex Module (DCM), a novel learnable function that computes cell probabilities in the complex to improve the downstream task. We show how to integrate DCM with cell complex message passing networks layers and train it in a end-to-end fashion, thanks to a two-step inference procedure that avoids an exhaustive search across all possible cells in the input, thus maintaining scalability. Our model is tested on several homophilic and heterophilic graph datasets and it is shown to outperform other state-of-the-art techniques, offering significant improvements especially in cases where an input graph is not provided.