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Attention Mechanisms Perspective: Exploring LLM Processing of Graph-Structured Data

ICML 2025 · Graph learning › GNN architectures · approach: GNN generalization theory · 1 citations (OpenAlex)

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Empirical study of how LLMs (LLaGA-style fine-tuned Llama2-7B) attend to graph nodes serialized as text, finding weak use of connectivity and that intermediate attention windows (k=2/3) train better and transfer to fully connected inference.

Problem

Whether and how LLMs' attention mechanisms process graph-structured data serialized in natural language, and why they underperform GNNs on topology-dependent node tasks.

Approach

Analyzes LLM attention over node tokens before/after fine-tuning, via disruption experiments on connectivity, and introduces a global linkage horizon k that limits node visibility in the attention window; finds intermediate windows train better and transfer to full attention at inference.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use intermediate attention horizons k=2 or k=3 instead of fully connected k=4LLaMA2-7B graph node classification · WikiCS, Roman-Empire, Amazon-Ratings, and Pubmedaccuracy: WikiCS 77.49$\pm$0.21 -> 78.90$\pm$0.17; Roman-Empire 80.73$\pm$0.0 -> 83.12$\pm$0.0; Amazon-Ratings 45.19$\pm$ 0.2 -> 4Mixed
Train with k=3 unidirectional, then infer with k=4 unidirectionalLLaMA2-7B · WikiCSaccuracy: 77.49$\pm$0.21 -> 77.82$\pm$0.30Helped
Train with k=3 unidirectional, then infer with k=2 unidirectionalLLaMA2-7B · WikiCSaccuracy: 77.96$\pm$0.13 -> 79.22$\pm$0.15Helped
Disrupt connectivity by swapping child-node sets (level I) or exchanging child nodes (level II) (ablation)LLaMA2-7B graph node classification · WikiCS and Pubmedaccuracy: WikiCS 0.7862$7.007 -> 0.7847$7.004 (I), 0.7907$7.0035 (II); Pubmed 0.8367$7.003 -> 0.8363$7.001 (I), 0.8364$7.002No clear effect
Disrupt connectivity by randomly shuffling node positions (level III) or adding unrelated nodes and random substitutions (level IV) (ablation)LLaMA2-7B graph node classification · WikiCS, Pubmed, Amazon-Ratings, and Roman-Empireaccuracy: Wikics: 0.7862$\pm$ 0.007 -> 0.7670$\pm$ 0.003 (III), 0.7080$\pm$ 0.005 (IV); Pubmed: 0.8367$\pm$0.003 -> 0.7698$\pm$0.0Hurt
Disrupt connectivity by swapping child-node sets (I) or exchanging child nodes (II) (ablation)LLaMA2-7B graph node classification · Amazon-Ratings and Roman-Empireaccuracy: Amazon-Ratings: 0.4486$\pm$0.002 -> 0.3980$\pm$0.003 (I), 0.3977$\pm$0.002 (II); Roman-Empire: 0.8089$\pm$0.001 -> 0.791Hurt

Surprising findings

Limitations

Experimental setup

Datasets: Roman-Empire Amazon-Ratings Pubmed WikiCS

Benchmarks: Roman-Empire Amazon-Ratings Pubmed WikiCS

Metrics: accuracy t-test Kolmogorov-Smirnov test Jensen-Shannon divergence

Baselines: GNNs LLaGA InstructGLM

Builds on: LLaGA InstructGLM StreamingLLM

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