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Published as a conference paper at NeurIPS 2026

DTA-GT: Direction- and Topology-Aware Graph Transformer for Neural Network Representation Learning

Yuxiang Zeng, Kun Xie, Yang Wang, Jigang Wen, Xiaocan Li, Guangxing Zhang, Gaogang Xie, Jiannong Cao

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.

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