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Plain Transformers are Surprisingly Powerful Link Predictors

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arxiv 2602.01553 v2 pith:4NWAIE6I submitted 2026-02-02 cs.LG cs.AI

Plain Transformers are Surprisingly Powerful Link Predictors

classification cs.LG cs.AI
keywords pencilchallengecomplexgnnsgraphlinkstructuraltransformers
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Link prediction is a core challenge in graph machine learning, demanding models that capture rich and complex topological dependencies. While Graph Neural Networks (GNNs) are the standard solution, state-of-the-art pipelines often rely on explicit structural heuristics or memory-intensive node embeddings -- approaches that struggle to generalize or scale to massive graphs. Emerging Graph Transformers (GTs) offer a potential alternative but often incur significant overhead due to complex structural encodings, hindering their applications to large-scale link prediction. We challenge these sophisticated paradigms with PENCIL, an encoder-only plain Transformer that replaces hand-crafted priors with attention over sampled local subgraphs, retaining the scalability and hardware efficiency of standard Transformers. Through experimental and theoretical analysis, we show that PENCIL extracts richer structural signals than GNNs, implicitly generalizing a broad class of heuristics and subgraph-based expressivity. Empirically, PENCIL outperforms heuristic-informed GNNs and is far more parameter-efficient than ID-embedding--based alternatives, while remaining competitive across diverse benchmarks -- even without node features. Our results challenge the prevailing reliance on complex engineering techniques, demonstrating that simple design choices are potentially sufficient to achieve the same capabilities. Our code is publicly available at https://github.com/quang-truong/pencil.

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