X-LogSMask: Expand Transformer for Graph-Structured Data
About
Transformers have become general-purpose architectures, but their all-to-all self-attention is poorly matched to graph data, whose interactions are sparse, structured and multi-scale. Existing Graph Transformers address this mismatch through structural encodings, hybrid message-passing modules or learned attention constraints, often introducing additional complexity and limited interpretability. Here we introduce X-LogSMask, an explainable multi-head logarithmic structural mask that injects symmetrically normalized graph topology directly into attention logits. The logarithmic transform converts structural connectivity into a topology-aware gating signal, suppressing unsupported node interactions while preserving feature-dependent attention. By assigning different powers of the normalized adjacency matrix to different attention heads, X-LogSMask gives each head a defined structural radius and supports multi-hop information propagation within a single layer. We further show that a standard Transformer encoder can be interpreted as one-step message passing on a complete graph, motivating X-LogSMask as a topology-constrained alternative to unrestricted self-attention. Across 20 node-, edge- and graph-level benchmarks, Transformers equipped with X-LogSMask achieve state-of-the-art performance on 13 datasets and remain competitive in a lightweight one-layer configuration. These results show that simple, interpretable structural masks can make self-attention an effective graph-learning operator without changing the Transformer architecture. The code is available at https://github.com/LiLeyan-0120/X-LogSMask.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Classification | PROTEINS | Accuracy80.63 | 1383 | |
| Graph Classification | MUTAG | Accuracy88.89 | 1229 | |
| Graph Classification | NCI1 | Accuracy82.24 | 707 | |
| Graph Classification | COLLAB | Accuracy80.8 | 532 | |
| Graph Classification | IMDB-B | Accuracy77 | 455 | |
| Graph Classification | D&D | Accuracy81.2 | 179 | |
| Graph Classification | MolHIV | ROC AUC78.91 | 110 | |
| Node Classification | wikiCS | Accuracy (WikiCS)80.36 | 101 | |
| Node Classification | Physics | Accuracy97.68 | 91 | |
| Node Classification | Computers | Accuracy (%)92.01 | 74 |