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CW-CNN & CW-AN: Convolutional Networks and Attention Networks for CW-Complexes

Rahul Khorana

TL;DR

This work introduces CW-CNN and CW-AT, the first neural architectures capable of processing CW-complex inputs by combining a Hodge-Laplacian informed convolution with multi-head attention on CW-structures. By defining convolution via the Hodge Laplacian and boundary/coboundary operators, the CW-CNN propagates information along cells while preserving topological structure; the CW-AT extends this with a CW-specific attention mechanism based on incidence relations. The authors validate the approach on a synthetic CW-complex dataset, achieving ultra-low RMSE with a compact CW-CNN and demonstrating feasibility and efficiency for the attention-based variant. The results suggest these networks can capture polyadic relations and higher-order topology, with potential applications in cheminformatics, molecular design, and natural language processing where CW-complex representations are advantageous.

Abstract

We present a novel framework for learning on CW-complex structured data points. Recent advances have discussed CW-complexes as ideal learning representations for problems in cheminformatics. However, there is a lack of available machine learning methods suitable for learning on CW-complexes. In this paper we develop notions of convolution and attention that are well defined for CW-complexes. These notions enable us to create the first Hodge informed neural network that can receive a CW-complex as input. We illustrate and interpret this framework in the context of supervised prediction.

CW-CNN & CW-AN: Convolutional Networks and Attention Networks for CW-Complexes

TL;DR

This work introduces CW-CNN and CW-AT, the first neural architectures capable of processing CW-complex inputs by combining a Hodge-Laplacian informed convolution with multi-head attention on CW-structures. By defining convolution via the Hodge Laplacian and boundary/coboundary operators, the CW-CNN propagates information along cells while preserving topological structure; the CW-AT extends this with a CW-specific attention mechanism based on incidence relations. The authors validate the approach on a synthetic CW-complex dataset, achieving ultra-low RMSE with a compact CW-CNN and demonstrating feasibility and efficiency for the attention-based variant. The results suggest these networks can capture polyadic relations and higher-order topology, with potential applications in cheminformatics, molecular design, and natural language processing where CW-complex representations are advantageous.

Abstract

We present a novel framework for learning on CW-complex structured data points. Recent advances have discussed CW-complexes as ideal learning representations for problems in cheminformatics. However, there is a lack of available machine learning methods suitable for learning on CW-complexes. In this paper we develop notions of convolution and attention that are well defined for CW-complexes. These notions enable us to create the first Hodge informed neural network that can receive a CW-complex as input. We illustrate and interpret this framework in the context of supervised prediction.
Paper Structure (22 sections, 1 theorem, 15 equations, 2 figures, 1 table)

This paper contains 22 sections, 1 theorem, 15 equations, 2 figures, 1 table.

Key Result

Lemma 3.2

The dimension of hidden layer $k$ in a CW-CNN is $\dim(H^{(k)}) = N_{k} \times N_{k}$.

Figures (2)

  • Figure 1: CW-CNN architecture.
  • Figure 2: CW-AT architecture.

Theorems & Definitions (15)

  • Definition 1.1
  • Definition 2.1
  • Definition 2.2
  • Definition 2.3
  • Definition 2.4
  • Definition 2.5
  • Definition 2.6
  • Definition 2.7
  • Definition 2.8
  • Definition 2.9
  • ...and 5 more