Theoretical limitations of multi-layer Transformer
This work addresses a foundational gap in theoretical machine learning by providing rigorous limitations for Transformers, which are crucial for large language models, though it is incremental in building on prior conjectural analyses.
The paper tackles the problem of understanding the expressive power of multi-layer decoder-only Transformers by proving the first unconditional lower bound, showing that an L-layer model requires polynomial model dimension to perform sequential composition of L functions over n tokens, with results including depth-width trade-offs and separations between encoder and decoder models.
Transformers, especially the decoder-only variants, are the backbone of most modern large language models; yet we do not have much understanding of their expressive power except for the simple $1$-layer case. Due to the difficulty of analyzing multi-layer models, all previous work relies on unproven complexity conjectures to show limitations for multi-layer Transformers. In this work, we prove the first $\textit{unconditional}$ lower bound against multi-layer decoder-only transformers. For any constant $L$, we prove that any $L$-layer decoder-only transformer needs a polynomial model dimension ($n^{Ω(1)}$) to perform sequential composition of $L$ functions over an input of $n$ tokens. As a consequence, our results give: (1) the first depth-width trade-off for multi-layer transformers, exhibiting that the $L$-step composition task is exponentially harder for $L$-layer models compared to $(L+1)$-layer ones; (2) an unconditional separation between encoder and decoder, exhibiting a hard task for decoders that can be solved by an exponentially shallower and smaller encoder; (3) a provable advantage of chain-of-thought, exhibiting a task that becomes exponentially easier with chain-of-thought. On the technical side, we propose the multi-party $\textit{autoregressive}$ $\textit{communication}$ $\textit{model}$ that captures the computation of a decoder-only Transformer. We also introduce a new proof technique that finds a certain $\textit{indistinguishable}$ $\textit{decomposition}$ of all possible inputs iteratively for proving lower bounds in this model. We believe our new communication model and proof technique will be helpful to further understand the computational power of transformers.