拆解Transformer与RNN核心组件,发现注意力+门控可提升预测性能。
Deconstructing Recurrence, Attention, and Gating: Investigating the transferability of Transformers and Gated Recurrent Neural Networks in forecasting of dynamical systems
- 拆解门控、循环和注意力机制,构建混合模型进行消融实验。
- 门控与注意力显著提升各类RNN性能,但循环结构会损害Transformer表现。
- 融合残差高速公路与门控注意力的新架构在高维动力系统中表现最佳。
机器学习架构如Transformer和循环神经网络(RNN)已革新从文本处理到极端天气的预测任务。尽管先进模型在自然语言处理中表现优异,其在时空预测任务中的可迁移性仍缺乏系统性消融研究。本文剖析RNN中的门控与循环机制,以及Transformer中的注意力机制,通过组合标准模块构建新型混合架构,并在多尺度洛伦兹96系统、库拉莫托-西瓦辛斯基方程及真实时间序列基准数据集上开展消融实验。结果表明,神经门控与注意力能显著提升所有标准RNN的性能,而向Transformer引入循环结构则有害。特别地,一种稀疏使用的融合残差高速公路网络、门控与注意力机制的新架构,在高维时空动力系统预测中表现最优。
原文摘要 · Abstract (English)
Machine learning architectures, including transformers and recurrent neural networks (RNNs) have revolutionized forecasting in applications ranging from text processing to extreme weather. Notably, advanced network architectures, tuned for applications such as natural language processing, are transferable to other tasks such as spatiotemporal forecasting tasks. However, there is a scarcity of ablation studies to illustrate the key components that enable this forecasting accuracy. The absence of such studies, although explainable due to the associated computational cost, intensifies the belief that these models ought to be considered as black boxes. In this work, we decompose the key architectural components of the most powerful neural architectures, namely gating and recurrence in RNNs, and attention mechanisms in transformers. Then, we synthesize and build novel hybrid architectures from the standard blocks, performing ablation studies to identify which mechanisms are effective for each task. The importance of considering these components as hyper-parameters that can augment the standard architectures is exhibited on various forecasting datasets, from the spatiotemporal chaotic dynamics of the multiscale Lorenz 96 system, the Kuramoto-Sivashinsky equation, as well as standard real world time-series benchmarks. A key finding is that neural gating and attention improves the performance of all standard RNNs in most tasks, while the addition of a notion of recurrence in transformers is detrimental. Furthermore, our study reveals that a novel, sparsely used, architecture which integrates Recurrent Highway Networks with neural gating and attention mechanisms, emerges as the best performing architecture in high-dimensional spatiotemporal forecasting of dynamical systems.
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