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A Systematic Exploration of Knowledge Graph Alignment with Large Language Models in Retrieval Augmented Generation
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Systematically studies KG alignment with LLMs (KGA) in KG-RAG, splitting it into graph transformation and linearization phases, and runs over 3,500 experiments across 15 LLMs and three KGQA datasets.
Problem
KG+RAG methods treat the conversion of retrieved knowledge graphs into LLM input text (KG alignment, KGA) as a simple step, leaving unclear which factors matter, how LLMs understand linearized KGs, and how to exploit KGA to improve KG+RAG.
Approach
Decomposes KGA into a graph-to-graph phase (81 graph features at node, edge, and full-graph levels) and a graph-to-text linearization phase (13 formats, 13 orders, 14 templates), then uses feature analysis, mechanistic interpretability (information flow routes), and combining the best factors to improve KGQA.
Key results
- Combining the best formats, orders and templates improves KG+RAG on GraphextQA by 7.3% on average across four LLMs.
- Flat triple formats achieve the best average performance, and templates with special token separators outperform others by a 10.7-point gap between best and worst.
- Adding reverse edges or a virtual global node, which raise sub-KG centrality, improves performance on several models (e.g., Llama-3-8b from 77.40 to 88.20 with reverse edges).
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Optimize KGA by combining the best format, order, and template | KG+RAG with four typical LLMs · KGQA | average performance: 7.3% | Helped |
| Add reverse edges to increase sub-KG centrality (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 68.24; 77.40 -> 88.20; 76.12 -> 77.51; 87.54 -> 88.93 | Mixed |
| Add a virtual global node to increase sub-KG centrality (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 72.73; 77.40 -> 84.01; 76.12 -> 78.55; 87.54 -> 87.54 | Mixed |
| Use model-specific best formats (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 72.25; 77.40 -> 77.40; 76.12 -> 79.58; 87.54 -> 87.89 | Mixed |
| Use model-specific best orders (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 78.41; 77.40 -> 78.20; 76.12 -> 79.93; 87.54 -> 89.62 | Helped |
| Use templates with special-token separators | KG+RAG · GraphextQA test set | average Hits@1 across templates: 10.7-point difference | Helped |
| Use the model-specific best template (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 78.24; 77.40 -> 82.32; 76.12 -> 77.85; 87.54 -> 88.93 | Mixed |
| Combine the best format and best order (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 78.24; 77.40 -> 78.20; 76.12 -> 75.09; 87.54 -> 91.00 | Mixed |
| Combine the best format and best template (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 78.24; 77.40 -> 82.32; 76.12 -> 79.58; 87.54 -> 88.58 | Mixed |
| Combine the best order and best template (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 81.90; 77.40 -> 82.80; 76.12 -> 75.77; 87.54 -> 88.58 | Mixed |
| Combine the best format, best order, and best template (ablation) | KG+RAG · GraphextQA test set | Hits@1: 72.25 -> 83.22; 77.40 -> 82.80; 76.12 -> 75.09; 87.54 -> 91.35 | Mixed |
| Choose orders based on model preferences rather than one universal order | LLMs processing KGs · GraphextQA test set across 15 models | Hits@1 | Mixed |
Surprising findings
- Orders are model-dependent, with no single optimal order across all LLMs, contrary to prior practice of descending similarity ranking.
- Separator tokens in KG linearization are processed by distinct circuits from entities and natural words, acting as summary (BOS-like) positions.
Limitations
- Results on ChatGPT and GPT-4o use only a 10% random sample of data.
- KG-to-Text MVP model is trained on specific datasets and has low generalizability.
- Evaluation limited to KGQA datasets and Hits@1 metric.
Experimental setup
Datasets: GraphextQA ComplexWebQuestions WebQuestionsSP
Benchmarks: GraphextQA ComplexWebQuestions WebQuestionsSP
Metrics: Hits@1 Rank-biased Overlap Z-score of Hits@1
Baselines: MVP flat triple linearization Retrieve-Rewrite-Answer
Builds on: Information Flow Routes StructGPT MVP LoRA Think-on-Graph
Closest papers by meaning
- Simple is Effective: The Roles of Graphs and Large Language Models in Knowledge-Graph-Based Retrieval-Augmented Generation (ICLR 2025 · similarity 0.94)
- Can Knowledge-Graph-based Retrieval Augmented Generation Really Retrieve What You Need? (NeurIPS 2025 · similarity 0.92)
- Think-on-Graph 2.0: Deep and Faithful Large Language Model Reasoning with Knowledge-guided Retrieval Augmented Generation (ICLR 2025 · similarity 0.92)
- Graph-KV: Breaking Sequence via Injecting Structural Biases into Large Language Models (NeurIPS 2025 · similarity 0.91)
- GFM-RAG: Graph Foundation Model for Retrieval Augmented Generation (NeurIPS 2025 · similarity 0.91)
- KGGen: Extracting Knowledge Graphs from Plain Text with Language Models (NeurIPS 2025 · similarity 0.90)
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