DTA-GT: Direction- and Topology-Aware Graph Transformer for Neural Network Representation Learning
Organizations: Hunan University · Hunan University of Science and Technology · Chinese Academy of Sciences · The Hong Kong Polytechnic University
Abstract
Architecture attribute predictors reduce the cost of neural architecture search by estimating accuracy or latency from a small set of evaluated candidates. The key difficulty is that neural architectures are operation-labeled DAGs: edge direction defines computational flow, but existing predictors often treat direction as a local structural cue. We propose DTA-GT, a Direction- and Topology-Aware Graph Transformer based on encoder-wide directional consistency, which preserves directed computational semantics across node initialization, global spectral encoding, pairwise interaction, and feature update. DTA-GT realizes this principle with direction- and topology-aware node initialization, Magnetic Laplacian spectral encoding, direction-dual structural attention, and a Direction-Sensitive MoE-FFN. Across accuracy and latency prediction on NAS-Bench-101 and NAS-Bench-201, DTA-GT consistently outperforms representative sequence-, GNN-, Transformer-, and hybrid predictors under limited-budget settings. Ablations and Magnetic spectral controls show that the improvements come from coordinated direction-aware stages and edge-orientation-sensitive spectral information, while mechanistic diagnostics confirm that the modules exhibit the intended directional behavior. These results support encoder-wide directional consistency as an effective design principle for architecture DAG representation.
Figures & tables
| Component key | Overall Directionality | Stage Contributions | Readout / Objective | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Directed | Undirected | w/o Dir. Feat. | w/o Spec. | w/o Attn. | w/o MoE | CLS Readout | MSE Only | |||||||||
| N: Dir. Node Feat. | ✓ | ✗ | ✗ | ✓ | ✓ | ✓ | ✓ | ✓ | ||||||||
| P: Spec. Enc. | ✓ | ✗ | ✓ | ✗ | ✓ | ✓ | ✓ | ✓ | ||||||||
| A: Struct. Attn. | ✓ | ✗ | ✓ | ✓ | ✗ | ✓ | ✓ | ✓ | ||||||||
| F: MoE-FFN | ✓ | ✗ | ✓ | ✓ | ✓ | ✗ | ✓ | ✓ | ||||||||