Despite the widespread adoption of Transformer models for NLP tasks, the expressive power of these models is not well-understood. In this paper, we establish that Transformer models are universal approximators of continuous permutation equivariant sequence-to-sequence functions with compact support, which is quite surprising given the amount of shared parameters in these models. Furthermore, using positional encodings, we circumvent the restriction of permutation equivariance, and show that Transformer models can universally approximate arbitrary continuous sequence-to-sequence functions on a compact domain. Interestingly, our proof techniques clearly highlight the different roles of the self-attention and the feed-forward layers in Transformers. In particular, we prove that fixed width self-attention layers can compute contextual mappings of the input sequences, playing a key role in the universal approximation property of Transformers. Based on this insight from our analysis, we consider other simpler alternatives to selfattention layers and empirically evaluate them.
CONTRIBUTIONS:
C1. Transformers (without positional encodings and without layer normalization), with 2 attention heads of dimension 1 and feed-forward layers (FFN) with 4 hidden nodes, are universal approximators of continuous permutation-equivariant functions f of compact support, relative to any Lp metric (1 <= p < \infty). (Thm. 2, p. 3). (Without positional encodings, a function f computed by a Transformer is permutation equivariant: f(P(X)) = P(f(X)) for any permutation P of the columns of X, which are the vector encodings of the input tokens.)
C2. For transformers with trainable positional encodings, the same result holds without the restriction to permutation equivariance (Thm. 3, p. 4)
C3. The notion of ‘contextual mapping’ is introduced (Def. 5.1, p. 6); this notion is central to the proofs of the theorems in C1-C2. Such a mapping q takes any two vectors L, L’ in a finite subset of a real vector space and maps them to a vector space such that all elements (in R) of q(L) and q(L’) are distinct. (In the permutation-equivariant context, L’ must not be a permutation of L.)
RATING: Weak accept
REASONS FOR RATING (SUMMARY). ‘Accept’ because the results seem important. ‘Weak’ because the explanation for the crux of the key result is inaccessible. It relies crucially on the notion of C3, the utility of which for understanding how real Transformers work is questionable.
REVIEW
Sec. 4 does a good job of sketching the key proof. But Sec. 5 falls down at a crucial point, Lemma 6.
What I can glean from the paper (Sec 5.0) is that the idea of the proof is this: (1) use the continuity of f to approximate it with a piecewise constant function c, which takes a fixed value within each hypercube of a discretization of the compact support of f; (2) use a FFN g to map f’s input space to a discrete subset, a regular finite grid G defining the corners of the hypercube discretization; (3) use modified Transformer attention layers to create a contextual mapping k of G; (4) use a FFN h on R to map each (unique) real number in the vector outputs of k to the correct output value so that h([k(g(X))]_i) = [c(X)]_i; (5) approximate the modified Transformer attention layers of k with standard Transformer attention layers. (The modified attention layers replace softmax with argmax and replace ReLU with a (varying) piecewise-linear activation functions “with at most 3 pieces, at least one of which is constant” [Step 2, p. 4.])
The paper should focus on steps (3) and (5), the only parts of the proof that pertain to what is special about the Transformer: attention. These should be explained fully and clearly in the main text. To make room for this, the rest, concerning FFN approximation and discretization, can be reduced to a paragraph each in the main text, since they are standard, not particular to Transformers.
My attempts to understand the proofs of (3) and (5) from the Appendix were not successful. To illustrate the kind of difficulty I had in several places: in the proof of Lemma 9 on p. 12, the conclusion is “Thus, given any \bar{g} \in \bar{\cal{T}}^{2,1,1}, there exists a function g \in \cal{T}^{2,1,4} arbitrarily close to \bar{g}, by appropriately choosing the parameters to be large enough.” (“2,1,4” means a Transformer attention layer with 2 heads of dimension 1 followed by a FFN with 4 hidden units) But how do the numbers {2,1,1} and {2,1,4} relate to the equations internal to this proof? I can see some possible connections, but the authors should spell this out very clearly rather than making the reader work to fill in the gap. It should be clear how the ATTENTION MECHANISM is crucial for the proof by understanding just how that mechanism does the work needed in steps (3) and (5) above.
Given the time-consuming but ultimately unsuccessful attempt to understand the first few pages of the 11-page Appendix, I did not attempt to absorb the remaining pages.
It is clear that the notion of contextual mapping plays an important role in their proof of the universal approximation theorem, but does it play any role in the operation of Transformers in practice? Spraying the points of a grid G in the Transformer’s input space into a collection of vectors in which the same real number never appears twice is a nice step in an approximation proof, because it reduces the problem to mapping a set of unique real numbers to another set of real numbers (the elements of the output vectors). But does an actual trained Transformer in practice do anything resembling this? It seems implausible on the face of it, but perhaps there is a theoretical argument, or empirical evidence, that makes it plausible. Thus, for understanding how real Transformers actually do their work, the value of the notion of contextual mapping, and therefore the discussion at the end of the paper of alternatives to attention for achieving it, appears questionable to me. The subtitle of Sec. 5, “Demystifying Transformers”, is not clearly justified.