How Particle-System Random Batch Methods Enhance Graph Transformer: Memory Efficiency and Parallel Computing Strategy

Abstract: Attention mechanism is a significant part of Transformer models. It helps extract features from embedded vectors by adding global information and its expressivity has been proved to be powerful. Nevertheless, the quadratic complexity restricts its practicability. Although several researches have provided attention mechanism in sparse form, they are lack of theoretical analysis about the expressivity of their mechanism while reducing complexity. In this paper, we put forward Random Batch Attention (RBA), a linear self-attention mechanism, which has theoretical support of the ability to maintain its expressivity. Random Batch Attention has several significant strengths as follows: (1) Random Batch Attention has linear time complexity. Other than this, it can be implemented in parallel on a new dimension, which contributes to much memory saving. (2) Random Batch Attention mechanism can improve most of the existing models by replacing their attention mechanisms, even many previously improved attention mechanisms. (3) Random Batch Attention mechanism has theoretical explanation in convergence, as it comes from Random Batch Methods on computation mathematics. Experiments on large graphs have proved advantages mentioned above. Also, the theoretical modeling of self-attention mechanism is a new tool for future research on attention-mechanism analysis.