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Supercharging Graph Transformers with Advective Diffusion

2023-10-10 · Qitian Wu, Chenxiao Yang, Kaipeng Zeng, Michael Bronstein

The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how machine learning models generalize under topological shifts. This paper proposes AdvDIFFormer, a physics-inspired graph Transformer model designed to address this challenge. The model is derived from advective diffusion equations which describe a class of continuous message passing process with observed and latent topological structures. We show that AdvDIFFormer has provable capability for controlling generalization error with topological shifts, which in contrast cannot be guaranteed by graph diffusion models. Empirically, the model demonstrates superiority in various predictive tasks across information networks, molecular screening and protein interactions.

📄 PDF Abstract BibTeX arXiv:2310.06417

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Graph Learning

Methods 이 논문이 사용한 방법론

Multi-Head Attention 설명 없음
Attention 설명 없음
Linear Layer A Linear Layer is a projection $\mathbf{XW + b}$.
Position-Wise Feed-Forward Layer 설명 없음
Softmax The Softmax output function transforms a previous layer's output into a vector of probabilities. It is commonly used for multiclass classification. Given an input vector $x$…
BPE Byte Pair Encoding, or BPE, is a subword segmentation algorithm that encodes rare and unknown words as sequences of subword units. The intuition is that various word…
Label Smoothing Label Smoothing is a regularization technique that introduces noise for the labels. This accounts for the fact that datasets may have mistakes in them, so maximizing the…
Adam 설명 없음

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