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Unsupervised Parameter-free Simplicial Representation Learning with Scattering Transforms

ICML 2024 · Graph learning › GNN architectures · approach: Spectral GNN design

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Proposes simplicial scattering networks (SSN), a parameter-free, label-free scattering-transform model built on random-walk matrices over the four simplicial adjacencies, evaluated on node, graph, closure, trajectory, and simplex tasks.

Problem

Simplicial neural networks have high training complexity and need task-specific labels, so there is a need for task-agnostic, unsupervised representations of higher-order simplicial complex data.

Approach

Extends geometric scattering transforms to simplicial complexes by replacing non-square powers of random walk matrices with a sequential message-passing filter bank over boundary, coboundary, upper and lower adjacencies, taking differences across scales to retain high-frequency information; no learnable parameters.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
include boundary and coboundary adjacency information rather than only Hodge Laplacians (ablation)SSN · primary-schoolaccuracy: 81.63 ± 3.29 -> 91.43 ± 2.20Helped
include boundary and coboundary adjacency information rather than only Hodge Laplacians (ablation)SSN · senate-billsaccuracy: 80.85 ± 1.86 -> 83.22 ± 3.9Helped
include boundary and coboundary adjacency information rather than only Hodge Laplacians (ablation)SSN · email-EnronAUC-PR: 17.20 ± 0.97 -> 17.26 ± 0.87No clear effect
use scale-wise diffusion features without consecutive-scale differences (ablation)SSN · primary-schoolaccuracy: 91.43 ± 2.20 vs 85 ± 3.13Hurt
use scale-wise diffusion features without consecutive-scale differences (ablation)SSN · madison-reviewsaccuracy: 96.3 ± 1 vs 91.7 ± 2.5Hurt
use higher-order simplices for feature aggregation (ablation)SSN · simplicial representations under structural perturbationsstabilityHelped
increase maximum scale J (ablation)SSN · downstream tasksperformanceHelped

Surprising findings

Limitations

Experimental setup

Datasets: primary-school high-school senate-bills PROTEINS NCI1 REDDIT-B REDDIT-M IMDB-B email-Enron Ocean Synthetic Mesh

Benchmarks: senate-bills primary-school high-school PROTEINS NCI1 REDDIT-B REDDIT-M IMDB-B email-Enron Ocean Synthetic Mesh

Metrics: accuracy AUC-PR

Baselines: GCN GAT GIN GraphSage GSN SCNN MPSN ScGCN GSAN SCoNe DGCNN Log. Reg.

Builds on: geometric scattering diffusion wavelets MPSN SCNN

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