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Neuro-Guided Graph Search for Symbolic Regression (Student Abstract)

AAAI 2025 · Graph learning › Graph algorithms and clustering · approach: Neural combinatorial optimization on graphs · 1 citations (OpenAlex)

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Proposes NUDGE, a GNN-guided bottom-up graph expansion search for symbolic regression, and EvoNUDGE, which seeds and guides an evolutionary algorithm with subexpressions from the NUDGE graph.

Problem

Symbolic regression requires a joint combinatorial search over formula structures and continuous parameters; the space of expressions grows exponentially with depth, making exhaustive search infeasible.

Approach

Iteratively expands a graph of SR subexpressions bottom-up, using a GAT-based graph neural network (with cross-example attention and a stateful variant) to select which application nodes to expand, trained with binary cross-entropy on trajectories derived from target programs; a library of discovered subexpressions then initialises and mutates an evolutionary search.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Add graph state across expansion iterations (GATState vs GAT) (ablation)NUDGE · Generated SR test problems, k = 2success rate: 9.04 -> 10.61Helped
Add graph state across expansion iterations (GATState vs GAT) (ablation)NUDGE · Generated SR test problems, k = 3success rate: 11.79 -> 14.54Helped
Add graph state across expansion iterations (GATState vs GAT) (ablation)NUDGE · Generated SR test problems, t = 60ssuccess rate: 12.57 -> 15.32Helped
Add NUDGE-guided library-based evolutionary search rather than GP from a random populationEvoNUDGE · AI Feynman suite, h = 1success rate: 21.65 -> 30.93Helped
Add NUDGE-guided library-based evolutionary search rather than GP from a random populationEvoNUDGE · AI Feynman suite, h = 2success rate: +3.09Helped
Add NUDGE-guided library-based evolutionary search rather than GP from a random populationEvoNUDGE · AI Feynman suite, h = 3success rate: 21.65 -> 28.87Helped
Add library-based mutation (ablation)EvoNUDGE · AI Feynman suitesuccess rateHelped
Add library-based initialization (ablation)EvoNUDGE · AI Feynman suitesuccess rateMixed
Use library-based mutation only rather than initialization only (ablation)EvoNUDGE · AI Feynman suite, h = 1success rate: 22.68 -> 27.84Helped
Use library-based mutation only rather than initialization only (ablation)EvoNUDGE · AI Feynman suite, h = 2success rate: 23.71 -> 27.84Helped
Use library-based mutation only rather than initialization only (ablation)EvoNUDGE · AI Feynman suite, h = 3success rate: 23.71 -> 28.87Helped

Surprising findings

Limitations

Experimental setup

Datasets: self-generated SR problem database (1032 problems: 522 train, 510 test) AI Feynman suite

Benchmarks: generated SR test set (510 problems) AI Feynman suite

Metrics: success rate (test MSE < 1e-10)

Baselines: GAT* GP GATState (BIN)

Builds on: Graph Attention Network genetic programming Kamienny et al. 2022 value encoding Wyrwiński and Krawiec 2024 GP-GNN

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