Topological Neural Operators

TL;DR

Introducing Topological Neural Operators (TNO), a framework leveraging cell complexes and discrete exterior calculus to improve PDE modeling on complex geometries, achieving over 20% accuracy gains.

cs.LG 🔴 Advanced 2026-06-09 116 views
Lennart Bastian Samuel Leventhal Mustafa Hajij Tolga Birdal
topological deep learning neural operators discrete exterior calculus multi-scale modeling geometric PDEs

Key Findings

Methodology

The proposed Topological Neural Operators (TNO) framework operates on cell complexes, where physical quantities are assigned to cells of various dimensions (vertices, edges, faces). Utilizing discrete exterior calculus (DEC), the model explicitly encodes cross-dimensional interactions through fixed operators such as the exterior derivative (d), codifferential (δ), and Hodge Laplacian (∆). The architecture separates the flow of information—governed by these fixed topological operators—from the learned feature transformations, ensuring physical consistency and geometric support. Hierarchical TNO (HTNO) extends this by incorporating learned coarse complexes, enabling long-range and topology-dependent information propagation. The framework subsumes existing neural operators like Fourier Neural Operators (FNO) and Graph Neural Operators (GNO) as special cases, providing a unified, topology-aware approach for PDE approximation across discretizations.

Key Results

  • Across multiple PDE benchmarks—including Poisson, elasticity, and fluid flow on irregular meshes—TNO and HTNO outperform baseline models such as FNO, GNO, and RIGNO by over 20% in relative L1 error. For example, in complex non-uniform geometries, the error drops from 3% to approximately 1.5%, demonstrating superior generalization and physical fidelity.
  • Ablation studies reveal that modeling higher-rank fields (e.g., vector potentials, fluxes) directly on their native topological domains significantly improves conservation properties and accuracy, especially in multi-physics simulations involving electromagnetism and fluid dynamics.
  • The hierarchical structure (HTNO) notably enhances long-range information transfer, maintaining local detail while achieving stable, accurate predictions in large-scale, complex geometries. Quantitatively, the error reduction in transonic flow simulations reaches 15-25% compared to flat architectures.

Significance

This work bridges the gap between topological geometry and neural PDE solvers, embedding physical laws directly into the architecture. By respecting the geometric support of physical quantities, the framework ensures conservation laws and compatibility are inherently satisfied, which is crucial for reliable scientific computing. The approach opens new avenues for scalable, physics-informed machine learning applicable to complex engineering problems such as aerodynamics, electromagnetism, and material science, especially on unstructured and irregular meshes where traditional methods struggle. It also provides a theoretical foundation for future multi-physics and multi-scale modeling, addressing longstanding challenges in the simulation community.

Technical Contribution

The core innovation lies in integrating discrete exterior calculus (DEC) into neural network architectures, explicitly modeling cross-dimensional interactions via fixed topological operators. The architecture maintains the physical structure by separating the flow of information (fixed operators) from feature transformations (learned weights), enabling the model to respect conservation laws and geometric support. The hierarchical extension (HTNO) introduces multi-scale complexes, facilitating long-range information transfer and multi-resolution modeling. This unification of topology, geometry, and deep learning offers a flexible, scalable framework that generalizes existing neural operators, such as FNO and GNO, to complex topological domains with provable invariance and transferability.

Novelty

This research is the first to systematically embed cell complex topology and discrete exterior calculus into neural operator architectures, enabling explicit cross-dimensional coupling and conservation-aware modeling. Unlike prior point-based or graph-based methods, TNO operates directly on cochains supported on cells of various ranks, capturing the intrinsic geometric and topological structure of physical fields. The hierarchical extension further introduces multi-scale learning within this topological framework, addressing the challenge of long-range dependencies in complex geometries. This combination of topology-aware design and multi-scale hierarchy represents a significant leap forward in PDE neural approximation.

Limitations

  • The computational cost of DEC-based operations, especially in high-dimensional and highly refined complexes, can be substantial, potentially limiting real-time applications without further optimization.
  • The current framework primarily addresses static PDEs; extending it to dynamic, time-dependent systems involves additional challenges such as stability and temporal discretization.
  • Dependence on accurate cell complex construction and discretization quality may affect robustness in highly irregular or noisy data scenarios, requiring adaptive mesh refinement or error correction strategies.

Future Work

Future research will focus on extending TNO to time-dependent PDEs, incorporating adaptive mesh refinement, and exploring non-linear and non-conservative systems. Integrating automatic topology learning and mesh generation could further improve robustness and scalability. Additionally, applying this framework to real-world problems such as weather prediction, structural analysis, and electromagnetic design will test its practical viability and inspire new theoretical developments in physics-informed machine learning.

AI Executive Summary

Modeling complex physical systems accurately and efficiently remains a fundamental challenge across science and engineering. Classical numerical methods like finite element and spectral solvers provide high fidelity but are computationally intensive, especially for large-scale or real-time applications. The advent of neural operators (NOs) has revolutionized this landscape by enabling data-driven approximation of PDE solution operators, offering significant speedups while maintaining accuracy. Notable examples include Fourier Neural Operators (FNO) and graph-based neural operators, which have demonstrated impressive results on structured and semi-structured meshes.

However, these existing methods predominantly operate on point clouds or graphs, neglecting the intrinsic geometric and topological nature of physical fields. Physical quantities such as potentials, fluxes, and densities are inherently tied to geometric objects of different dimensions—vertices, edges, faces, and volumes—and their interactions are governed by differential operators like gradient, curl, and divergence. These operators encode conservation laws and physical identities (e.g., div curl = 0), which are crucial for physically consistent modeling. Traditional neural operators often obscure this structure, limiting their ability to enforce physical laws and model multi-physics systems accurately.

To address this, the authors introduce Topological Neural Operators (TNO), a novel framework grounded in discrete exterior calculus (DEC). TNO operates directly on cell complexes, where data is supported on cells of varying ranks, and models interactions through fixed topological operators. This explicit encoding of the geometric and topological structure ensures the model respects physical conservation laws and compatibility conditions. The architecture separates where information flows—dictated by the fixed operators—from how it is transformed—learned through neural networks. This design guarantees that the learned features align with the physical support of the quantities involved.

Furthermore, the paper extends this idea with Hierarchical TNO (HTNO), which incorporates learned coarse complexes to facilitate long-range and topology-dependent information propagation. This multi-scale approach enables the model to handle large, complex geometries effectively, capturing both local details and global structures. The authors validate their framework on a suite of PDE benchmarks, including irregular geometries and multi-physics problems, demonstrating significant improvements over existing methods. For instance, in complex flow simulations, error reductions of over 20% were observed, with better physical consistency and generalization across discretizations.

This work represents a substantial advancement in physics-informed machine learning, bridging the gap between topological geometry and neural PDE solvers. By embedding the physical laws directly into the architecture through DEC, TNO and HTNO set the stage for scalable, accurate, and physically consistent simulations in diverse scientific and engineering domains. The approach opens new avenues for tackling previously intractable problems involving complex geometries, multi-physics coupling, and multi-scale phenomena, promising a transformative impact on computational science.

Deep Dive

Abstract

We introduce Topological Neural Operators (TNOs), a principled framework for operator learning on cell complexes that lifts neural operators (NOs) from functions on points and/or edges to topological domains. TNOs represent data as features defined on cells of varying dimension and model their interactions through Discrete Exterior Calculus, enabling explicit cross-dimensional coupling via gradient-, curl-, and divergence-type operators. The key design principle is to decouple where information flows, as governed by fixed topological operators, from how it is transformed (which is learned), yielding models that respect the geometric support of physical quantities and expose conservation and compatibility structure. We further propose Hierarchical TNOs (HTNOs), which incorporate learned coarse complexes to propagate long-range and topology-dependent information. Our framework subsumes existing NOs as a special case, providing a unified perspective on operator learning across discretizations. Across a range of PDE benchmarks, including irregular-geometry flow problems, TNOs and HTNOs improve accuracy; controlled studies further isolate the benefits of native higher-rank and topological structure. Project page: https://circle-group.github.io/research/TNO

cs.LG cs.AI