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Graph-KV: Breaking Sequence via Injecting Structural Biases into Large Language Models

NeurIPS 2025 · Graph learning › Knowledge and temporal graphs · approach: Graph-based dialog systems · 0 citations (OpenAlex)

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Graph-KV injects graph-structured block attention masks over per-segment KV caches plus shared/offset positional encodings so target segments attend only to their source segments' KV caches, improving RAG, citation-graph QA (Arxiv-QA), and paper topic classification over sequential and parallel encoding baselines.

Problem

Auto-regressive LLMs require structured inputs (RAG segments, citation networks) to be serialized into flat sequences, which induces positional bias, ignores inter-segment dependencies, and consumes context window and quadratic compute.

Approach

Treat each text segment's KV cache as a condensed representation and update target segments by attending only to designated source segments' KV caches (a graph-structured block mask), with source chunks sharing positions [0,L) and target chunks following at [L,2L) to reduce positional bias and context usage.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
inject graph-structured source-to-target attention instead of independent parallel chunk encodingLlama-3.1-8B-Block on MultiHop-RAG · MultiHop-RAG Avgaccuracy: 43.32 -> 45.79Helped
use top-3 instead of top-1 retrieved chunks as source chunks (ablation)Graph-KV on MultiHop-RAG · MultiHop-RAG Avgaccuracy: 44.81 -> 45.79Helped
use all retrieved chunks as source and target chunks (ablation)Graph-KV on MultiHop-RAG · MultiHop-RAG Avgaccuracy: 45.79 -> 46.41Helped
use top-3 instead of top-1 retrieved chunks as source chunks (ablation)Graph-KV on MorehopQA · MorehopQA Avgaccuracy: 37.96 -> 38.11Helped
use all retrieved chunks as source and target chunks (ablation)Graph-KV on MorehopQA · MorehopQA Avgaccuracy: 38.11 -> 44.90Helped
use top-3 instead of top-1 retrieved chunks as source chunks (ablation)Graph-KV on LongBench-V2 Single Document QA · LongBench-V2 Single Document QA Avgaccuracy: 29.9 -> 32.5Helped
use all retrieved chunks as source and target chunks (ablation)Graph-KV on LongBench-V2 Single Document QA · LongBench-V2 Single Document QA Avgaccuracy: 32.5 -> 37.5Helped
use top-3 instead of top-1 retrieved chunks as source chunks (ablation)Graph-KV on 2Wiki · 2Wiki Avgaccuracy: 73.60 -> 75.15Helped
use all retrieved chunks as source and target chunks (ablation)Graph-KV on 2Wiki · 2Wiki Avgaccuracy: 75.15 -> 74.38Hurt
use top-3 instead of top-1 retrieved chunks as source chunks (ablation)Graph-KV on HotpotQA · HotpotQA Avgaccuracy: 73.39 -> 75.19Helped
use all retrieved chunks as source and target chunks (ablation)Graph-KV on HotpotQA · HotpotQA Avgaccuracy: 75.19 -> 76.17Helped
incorporate citation-reference dependencies with Graph-KVLlama-3.1-8B-Block · Coraaccuracy: 69.55±0.30 -> 71.03Helped

Surprising findings

Limitations

Experimental setup

Datasets: tulu-3 2Wiki TriviaQA NarrativeQA HotpotQA Multihop-RAG MorehopQA LongBench-V2 arXiv dataset Cora Pubmed

Benchmarks: NarrativeQA TriviaQA HotpotQA 2Wiki Multihop-RAG MorehopQA LongBench-V2 Arxiv-QA Cora Pubmed

Metrics: accuracy time-to-first-token peak GPU memory

Baselines: Sequential encoding PCW APE Block-RAG Query-Only

Builds on: Block-Attention APE Parallel Context Windows Promptcache

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