Topological Adaptive Least Mean Squares Algorithms over Simplicial Complexes

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.

Directed Semi-Simplicial Learning with Applications to Brain Activity Decoding

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.

Topological Dictionary Learning

The aim of this paper is to introduce a novel dictionary learning algorithm for sparse representation of signals defined over combinatorial topological spaces, specifically, regular cell complexes. Leveraging Hodge theory, we embed topology into the dictionary structure via concatenated sub-dictionaries, each as a polynomial of Hodge Laplacians, yielding localized spectral topological filter frames. The learning problem is cast to jointly infer the underlying cell complex and optimize the dictionary coefficients and the sparse signal representation. We efficiently solve the problem via iterative alternating algorithms. Numerical results on both synthetic and real data show the effectiveness of the proposed procedure in jointly learning the sparse representations and the underlying relational structure of topological signals.

The Relativity of Causal Knowledge

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.

Quantum Simplicial Neural Networks

Graph Neural Networks (GNNs) excel at learning from graph-structured data but are limited to modeling pairwise interactions, insufficient for capturing higher-order relationships present in many real-world systems. Topological Deep Learning (TDL) has allowed for systematic modeling of hierarchical higher-order interactions by relying on combinatorial topological spaces such as simplicial complexes. In parallel, Quantum Neural Networks (QNNs) have been introduced to leverage quantum mechanics for enhanced computational and learning power. In this work, we present the first Quantum Topological Deep Learning Model: Quantum Simplicial Networks (QSNs), being QNNs operating on simplicial complexes. QSNs are a stack of Quantum Simplicial Layers, which are inspired by the Ising model to encode higher-order structures into quantum states. Experiments on synthetic classification tasks show that QSNs can outperform classical simplicial TDL models in accuracy and efficiency, demonstrating the potential of combining quantum computing with TDL for processing data on combinatorial topological spaces.

Towards a Health-Based Power Grid Optimization in the Artificial Intelligence Era

The electric power sector is one of the largest contributors to greenhouse gas emissions in the world. In recent years, there has been an unprecedented increase in electricity demand driven by the so-called Artificial Intelligence (AI) revolution. Although AI has and will continue to have a transformative impact, its environmental and health impacts are often overlooked. The standard approach to power grid optimization aims to minimize CO$_2$ emissions. In this paper, we propose a new holistic paradigm. Our proposed optimization directly targets the minimization of adverse health outcomes under energy efficiency and emission constraints. We show the first example of an optimal fuel mix allocation problem aiming to minimize the average number of adverse health effects resulting from exposure to hazardous air pollutants with constraints on the average and marginal emissions. We argue that this new health-based power grid optimization is essential to promote truly sustainable technological advances that align both with global climate goals and public health priorities.

TopoTune : A Framework for Generalized Combinatorial Complex Neural Networks

Graph Neural Networks (GNNs) excel in learning from relational datasets, processing node and edge features in a way that preserves the symmetries of the graph domain. However, many complex systems--such as biological or social networks--involve multiway complex interactions that are more naturally represented by higher-order topological spaces. The emerging field of Topological Deep Learning (TDL) aims to accommodate and leverage these higher-order structures. Combinatorial Complex Neural Networks (CCNNs), fairly general TDL models, have been shown to be more expressive and better performing than GNNs. However, differently from the graph deep learning ecosystem, TDL lacks a principled and standardized framework for easily defining new architectures, restricting its accessibility and applicability. To address this issue, we introduce Generalized CCNNs (GCCNs), a novel simple yet powerful family of TDL models that can be used to systematically transform any (graph) neural network into its TDL counterpart. We prove that GCCNs generalize and subsume CCNNs, while extensive experiments on a diverse class of GCCNs show that these architectures consistently match or outperform CCNNs, often with less model complexity. In an effort to accelerate and democratize TDL, we introduce TopoTune, a lightweight software that allows practitioners to define, build, and train GCCNs with unprecedented flexibility and ease.

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.

ICML Topological Deep Learning Challenge 2024: Beyond the Graph Domain

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.

E(n) Equivariant Topological Neural Networks

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 and translation equivariance. Moreover, 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 several 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 nature: 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 experiment results indicate that ETNNs are an effective tool for learning from diverse types of richly structured data, highlighting the benefits of principled geometric inductive bias.