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Distributed-Order Fractional Graph Operating Network

NeurIPS 2024 · Graph learning › GNN architectures · approach: Physics-inspired GNNs · 1 citations (OpenAlex)

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Proposes DRAGON, a continuous GNN framework whose feature dynamics use a learnable distributed-order fractional derivative (learnable measure over orders in [0,1]), with a non-Markovian random-walk interpretation and improved results over integer- and single-fractional-order continuous GNNs.

Problem

Continuous GNNs use integer-order or single fractional-order differential equations, which limit the temporal/memory dynamics they can capture; single fractional orders also require extensive per-dataset tuning.

Approach

Replace a single derivative order with a learnable measure over a range of fractional orders (distributed-order fractional derivative), discretized via quadrature into a multi-term FDE solved with fractional Adams-Bashforth-Moulton or Grünwald-Letnikov; interpreted as a non-Markovian graph random walk and shown able to approximate any waiting-time distribution.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use distributed-order derivatives in place of GRAND-l's integer-order dynamicsGRAND-l · Peptides-func testAP: 0.6962$\pm$0.0015 -> 0.7571$\pm$0.0014Helped
Use distributed-order derivatives in place of GRAND-l's integer-order dynamicsGRAND-l · Peptides-struct testMAE: 0.2867$\pm$0.0009 -> 0.2461$\pm$0.0014Helped
Use distributed-order derivatives instead of a single fractional orderGRAND-l · Coraaccuracy: 84.8$\pm$1.1 -> 85.1$\pm$1.3Helped
Use distributed-order derivatives instead of a single fractional orderGRAND-l · Citeseeraccuracy: 74.0$\pm$1.5 -> 74.5$\pm$1.1Helped
Use distributed-order derivatives in place of CDE's integer-order dynamicsCDE · Roman-empireaccuracy: 91.64$\pm$0.28 -> 93.87$\pm$0.41Helped
Use distributed-order derivatives instead of a single fractional orderCDE · Wiki-coocaccuracy: 98.73$\pm$0.68 -> 98.58$\pm$0.12Hurt
Use distributed-order derivatives in place of CDE's integer-order dynamicsCDE · Minesweeperaccuracy: 95.50$\pm$5.23 -> 96.47$\pm$1.89Helped
Use distributed-order derivatives instead of a single fractional orderCDE · Questionsaccuracy: 75.17$\pm$0.99 -> 75.53$\pm$0.98Helped
Use distributed-order derivatives instead of a single fractional orderCDE · Workersaccuracy: 82.68$\pm$0.86 -> 83.02$\pm$0.86Helped
Use distributed-order derivatives instead of a single fractional orderCDE · Amazon-ratingsaccuracy: 49.01$\pm$0.56 -> 49.43$\pm$1.26Helped

Surprising findings

Limitations

Experimental setup

Datasets: Cora Citeseer Pubmed CoauthorCS Computer Photo CoauthorPhy Airport Disease Roman-empire Wiki-cooc Minesweeper

Benchmarks: Peptides-func Peptides-struct Cora Citeseer Pubmed CoauthorCS Computer Photo CoauthorPhy Airport Disease Roman-empire

Metrics: accuracy average precision mean absolute error MSE

Baselines: GRAND-l F-GRAND-l GRAND-nl F-GRAND-nl GraphCON-l F-GraphCON-l CDE F-CDE TDE-GNN GCN GAT GCNII

Builds on: GRAND GraphCON CDE FROND TDE-GNN

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