Transformer Expressivity

Many works make the eye-catching claim that Transformers are Turing-complete. However, the literature often conflates two distinct settings: (i) a fixed Transformer system setting, in which a fixed autoregressive Transformer is coupled with a fixed context-management method to process inputs of different lengths step by step, and (ii) a scaling-family setting, in which a family of different models (with increasing context-window length or numerical precision) is used to handle different input lengths. Existing proofs of Transformer Turing-completeness are frequently established in setting (ii), whereas real-world LLM deployment and the standard notion of Turing-completeness correspond more naturally to setting (i). In this paper, we first formalize the fixed-system setting, thereby providing a concrete characterization of how real-world LLMs operate. We then argue that results proved in the scaling-family setting provide theoretically meaningful resource bounds but do not establish Turing-completeness, thereby clarifying a common misinterpretation of existing results. Finally, we show that different context-management methods can yield sharply different computational power, and we advocate the position that context management is a central component that critically determines the computational power of real-world autoregressive Transformers.

Existing expressivity results for transformers typically rely on hardmax attention, high precision, and other architectural modifications that disconnect them from the models used in practice. We bridge this gap by analyzing standard transformer decoders with softmax attention and rounding of activations and attention weights, while allowing depth and width to grow logarithmically with the context length. As an intermediate step, we construct hardmax transformers with ternary activations and well-separated attention scores that simulate Turing machines using Chain-of-Thought (CoT). This lets us convert the constructions to equivalent softmax transformers without the unrealistic parameter magnitudes or activation precision that prior approaches would require. Using the same technique, we analyze a recently proposed summarized CoT paradigm and show that it simulates Turing machines more efficiently, with model size scaling logarithmically in a space bound rather than a time bound. We empirically test predictions made by our results on a Sudoku reasoning task and find better alignment with learnability than for prior high-precision results. Our code is available at https://github.com/moritzbroe/transformer-expressivity.

While the approximation properties of single-layer Transformer architectures have been studied in recent works, a rigorous theoretical understanding of the multi-layer setting remains limited. In this work, we establish that multi-layer Transformers possess fundamentally different approximation capabilities from single-layer ones: for certain retrieval tasks, any single-layer Transformer requires least $Ω(\varepsilon^{-k})$ parameters to achieve precision $\varepsilon$, where $k$ grows linearly with sequence length $T$, whereas a two-layer Transformer with a single head per layer achieves the same approximation precision with at most $O (\varepsilon^{-1})$ parameters. To understand this separation, we identify two structural mechanisms underlying multi-layer approximation. Specifically, softmax attention can only efficiently retrieve the token attaining the maximum attention score, incurring exponential-in-length parameter cost for $k$-th largest retrieval with $k \geq 2$. Moreover, the parameter cost of decoding coupled information scales with the size of the retrieved token set. Motivated by these findings, we propose InfoFlow, a framework for multi-layer Transformers. The framework tracks an information set of accessible input positions at each token and layer, assigning an explicit approximation rate to each mode of information propagation. This abstraction recovers known approximation bounds, remains consistent with experimental observations on trained networks, and yields concrete predictions in settings where direct theoretical analysis is currently intractable. Our results provide a principled framework for reasoning about the approximation efficiency of multi-layer Transformers.

This note shows that no self-attention layer post-processed by a rational function can sign-represent the parity function unless the product of the number of heads and the degree of the post-processing function grows linearly with the input length. Combining this lower bound with rational approximation of ReLU networks yields a margin-dependent extension for self-attention layers post-processed by ReLU networks.

We give logical characterizations of encoder-decoder transformers, the foundational architecture for LLMs that also sees use in various settings that benefit from cross-attention, in the practical setting of floating-point numbers and soft attention. First, we characterize such transformers via a new temporal logic that extends propositional logic with a counting global modality over the encoder input and a past modality over the decoder input, as well as via a type of distributed automata. We consider three frameworks: with and without a final softmax step in the transformer, and in the setting where each model generates tokens via autoregression. Second, we show that both autoregressive transformers and sentences of counting propositional logic - the fragment of the previous logic obtained by omitting the past modality - recognize exactly the commutative star-free languages. Finally, we find that the sequences of tokens the transformers generate are ultimately periodic (and each token appears in the period at most once). This allows us to characterize autoregressive transformers via sentences of counting propositional logic that generate tokens without autoregression, i.e., we can effectively eliminate recursion from the transformers.

We analyse the computational power of transformer encoders as sequence-to-sequence functions on vectors. We show that average hard attention can be used to simulate arithmetic circuits if they are given as an input to an encoder. The circuit families that can be simulated this way have constant depth while using unbounded addition, binary multiplication and sign gates. The transformers we use have arithmetic circuits instead of feed-forward networks. With typical average attention the functions they compute are also computed by the same class of circuit families. Our results hold for transformers over the reals, rationals and any ring in between the two.

The transformer is the most popular neural architecture for language modeling. The cornerstone of the transformer is its global attention mechanism, which lets the model aggregate information from all preceding tokens before generating the next token. One common variant of attention is called local attention, which restricts each token to aggregating information from a bounded window of predecessors, reducing the quadratic cost of global attention to linear. Although this restriction is usually motivated by efficiency, it has also been found to improve model quality, a phenomenon that has so far lacked a satisfactory explanation. We provide a formal account of this phenomenon in terms of recognizer expressivity. It has been shown that fixed-precision transformers with global attention correspond to a fragment of linear temporal logic containing a single past operator. We additionally prove that adding local attention introduces a second temporal operator, strictly enlarging the class of recognizable regular languages. Moreover, global and local attention are expressively complementary: neither subsumes the other, and combining them yields the richest fragment. Experiments on formal language recognition and natural language modeling corroborate the theory, showing that hybrid global--local transformers outperform their global-only counterparts.

Chain-of-Thought (CoT) has been shown to empirically improve Transformers' performance, and theoretically increase their expressivity to Turing completeness. However, whether Transformers can learn to generalize to CoT traces longer than those seen during training is understudied. We use recent theoretical frameworks for Transformer length generalization and find that -- under standard positional encodings and a finite alphabet -- Transformers with CoT cannot solve problems beyond $TC^0$, i.e. the expressivity benefits do not hold under the stricter requirement of length-generalizable learnability. However, if we allow the vocabulary to grow with problem size, we attain a length-generalizable simulation of Turing machines where the CoT trace length is linear in the simulated runtime up to a constant. Our construction overcomes two core obstacles to reliable length generalization: repeated copying and last-occurrence retrieval. We assign each tape position a unique signpost token, and log only value changes to enable recovery of the current tape symbol through counts circumventing both barriers. Further, we empirically show that the use of such signpost tokens and value change encodings provide actionable guidance to improve length generalization on hard problems.

To quantify the geometric expressivity of transformers, we introduce a tropical geometry framework to characterize their exact spatial partitioning capabilities. By modeling self-attention as a vector-valued tropical rational map, we prove it evaluates exactly to a Power Voronoi Diagram in the zero-temperature limit. Building on this equivalence, we establish a combinatorial rationale for Multi-Head Self-Attention (MHSA): via the Minkowski sum of Newton polytopes, multi-head aggregation expands the polyhedral complexity to $\mathcal{O}(N^H)$, overcoming the $\mathcal{O}(N)$ bottleneck of single heads. Extending this to deep architectures, we derive the first tight asymptotic bounds on the number of linear regions in transformers ($Θ(N^{d_{\text{model}}L})$), demonstrating a combinatorial explosion driven intrinsically by sequence length $N$, ambient embedding dimension $d_{\text{model}}$, and network depth $L$. Importantly, we guarantee that this idealized polyhedral skeleton is geometrically stable: finite-temperature soft attention preserves these topological partitions via exponentially tight differential approximation bounds.