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Attention is Not All You Need: Pure Attention Loses Rank Doubly Exponentially with Depth

Published 5 Mar 2021 in cs.LG | (2103.03404v2)

Abstract: Attention-based architectures have become ubiquitous in machine learning, yet our understanding of the reasons for their effectiveness remains limited. This work proposes a new way to understand self-attention networks: we show that their output can be decomposed into a sum of smaller terms, each involving the operation of a sequence of attention heads across layers. Using this decomposition, we prove that self-attention possesses a strong inductive bias towards "token uniformity". Specifically, without skip connections or multi-layer perceptrons (MLPs), the output converges doubly exponentially to a rank-1 matrix. On the other hand, skip connections and MLPs stop the output from degeneration. Our experiments verify the identified convergence phenomena on different variants of standard transformer architectures.

Citations (329)

Summary

  • The paper demonstrates that pure attention networks converge doubly exponentially to rank-1 outputs as depth increases.
  • The authors introduce a path-based decomposition method to reveal a bias toward token uniformity in self-attention mechanisms.
  • Skip connections and MLPs mitigate rank collapse, preserving expressivity in transformer architectures.

Analysis of "Attention is not all you need: Pure attention loses rank doubly exponentially with depth"

This paper undertakes a methodical examination of self-attention networks (SANs) with a focus on their inherent tendency to lose expressive capacity as depth increases. The authors introduce a theoretical framework that meticulously deconstructs the SAN into components defined by path lengths and head sequences, demonstrating that these networks converge doubly exponentially to rank-1 matrices as network depth grows while lacking skip connections or multi-layer perceptrons (MLPs).

Decomposition and Inductive Bias Toward Token Uniformity

The crux of the paper lies in its decomposition of SAN outputs into linear combinations of what are termed paths, each path representing a sequence of operations by attention heads layered through the network. By leveraging this decomposition, the authors mathematically prove that SANs inherently bias toward a token-uniform distribution, resulting in outputs that collapse into rank-1 matrices. This significant reduction in expressivity occurs doubly exponentially fast, with an exponential dependence on network depth and a cubic rate of convergence. These findings imply that the effectiveness of SANs is significantly curtailed in the absence of network augmentations like skip connections and MLPs.

Implications of Skip Connections and MLPs

The investigation uncovers the counteracting influence of architectural augmentations such as skip connections and MLPs. Skip connections, which have traditionally been leveraged to enhance gradient flow and alleviate optimization difficulties in deep networks, are shown to also prevent rank collapse by effectively utilizing shorter paths within the SAN. Meanwhile, MLPs further impede the degeneracy of rank by increasing the Lipschitz constant of the network, thus slowing down convergence to rank-1 matrices. Moreover, the study suggests that SANs with skip connections operate analogously to ensembles of shallow networks, harnessing the expressiveness of these shorter paths.

Experimental Verification and Practical Considerations

The paper fortifies its theoretical insights with comprehensive experiments on prevalent transformer architectures such as BERT, XLNet, and Albert, comparing their residual rank loss with and without skip connections and MLPs precluded. SANs devoid of these enhancements manifest a precipitous decline in rank, consistent with theoretical projections. Additionally, experimental results spotlight the importance of path length, illustrating that short paths are disproportionately responsible for the network's expressivity and predictive capabilities.

Future Directions

The findings of this research raise pertinent questions about wide and deep network architectures in machine learning. Future explorations could aim to design more efficient networks that can balance between exploitative short paths and extensive but inherently degenerative longer paths. Moreover, the recognized interplay between MLPs, skip connections, and SANs opens avenues to innovate novel architectures or training regimes to optimize utility under limited computational budgets or real-time applications.

Concluding Remarks

This study methodically addresses an underexplored aspect of attention-based networks, augmenting our understanding of their structural and functional dynamics. By dissecting these models into their elemental path-based components and establishing their exponential tendency toward token uniformity, the research provides fertile ground for the innovation of more robust models capable of evading rank collapse. Researchers and practitioners aiming to leverage the full potential of attention mechanisms should consider these theoretical insights when designing or deploying transformer-based models across diverse machine learning applications.

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