Transformer-based language models are widespread in today's society. As such, understanding the mechanisms by which they solve structured tasks and predicting how they may behave in novel scenarios is of great importance for safe deployment. We study the learning dynamics of attention heads in a controlled setting by training a decoder-only Transformer (GPT-J) on two structurally equivalent multi-hop reasoning tasks: a number task requiring positional reasoning and a letter task requiring symbolic reasoning. Using a recently introduced metric that classifies attention-head behavior as positional or symbolic for a given prompt, we show that successful learning is associated with the emergence of pure heads, i.e., heads that express themselves as either positional or symbolic. Despite the tasks' structural equivalence, they impose different mechanistic demands: the number task requires both positional and symbolic heads, whereas the letter task requires only symbolic heads. We then identify the computational roles of these heads, characterize the basic functions they implement, and give theoretical constructions showing how single-layer RoPE-based attention can realize these functions through geometrically interpretable query, key, and value operations. This analysis yields a quantitative separation between positional and symbolic mechanisms in their robustness to longer sequences, formalized through a novel notion of discrepancy. We empirically validate the resulting predictions in both controlled and real-world models, showing that symbolic mechanisms extrapolate more reliably to longer sequences while positional mechanisms face sharper limitations.
We identify intrinsic limitations of Rotary Positional Embeddings (RoPE) in Transformer-based long-context language models. Our theoretical analysis abstracts away from the specific content of the context and depends only on its length. We prove that as context length increases, RoPE-based attention becomes unpredictable and loses two properties that are central to its effectiveness. First, it loses its locality bias: RoPE is no more likely to favor nearer positions than substantially farther ones. Second, it loses consistency in token relevance: a key vector that receives a higher attention score than an alternative at one position may receive a lower score at another. In both cases, the probability of failure approaches 0.5, no better than random guessing. We further prove that the attention score can remain unchanged when a key token is moved to a different position, or even replaced by a different token, indicating a failure to distinguish positions or tokens. Adjusting the RoPE base trades off distinguishing positions against distinguishing tokens but cannot preserve both at the same time. Increasing the RoPE base hyperparameter, a common practice in today's long-context models, helps distinguish different tokens, but inevitably sacrifices the ability to distinguish positions. Our empirical analysis shows that multi-head, multi-layer architectures are insufficient to overcome these limitations. Our findings suggest that fundamentally new mechanisms for encoding position and token order may be needed in future Transformer long-context language models.
Two accounts recur in explanations of the success of rotary position embeddings (RoPE). Expressivity studies associate periodic position information with modular predicates, whereas mechanistic and long-context studies emphasize positional anchors and local offsets. We formalize both accounts for fully uniform, finite-precision soft-attention transformers. We find that, if every rotary component is periodic, RoPE transformers recognize exactly the languages definable in past temporal logic with modular predicates. Conventional RoPE is different: The rotations it computes never repeat. This yields a precision-dependent bounded simulation of fixed-offset look-back operators, rather than an all-length modular characterization. Controlled experiments match this separation: Constructed periodic schedules length-generalize on modular languages, while conventional RoPE behaves more like a bounded locality bias and can impair tasks requiring position-invariant access to distant context. Altogether, our findings shed light on RoPE transformers, bringing theoretical expressivity characterizations closer to models used in practice.
Transformers with relative positional encodings often extrapolate to sequences longer than those seen during training, whereas transformers with learned absolute encodings typically do not. This is a robust empirical regularity, and the explanations offered for it so far are chiefly about expressivity, that is, about whether a length-generalizing solution exists. We give an optimization explanation. On a minimal fixed-offset retrieval task that isolates positional selection, the gap is governed by the implicit bias of the trained attention head: among the many solutions that fit short sequences, which one gradient descent actually selects. We prove that rotary encodings make the attention logit a function of relative offset alone, an exact equivariance, so whatever selection rule is learned at training lengths is reproduced verbatim at every longer length. Learned absolute encodings instead leave out-of-range positions unconstrained, and the trained head pins to a fixed absolute position inside the training range. We characterize the learned rotary rule as a low-rank ``carrier'' kernel aligned with the target offset, and we derive the resulting graceful accuracy decay as an attention-dilution law; both predictions are confirmed across seeds and offsets. A linear-attention control shows the mechanism is specific to softmax: without normalization, training selects a min-norm interpolant that does not extrapolate. The phenomenon, the equivariance, and the carrier all transfer to a multi-layer, multi-head transformer trained on a full-sequence length-generalization task. The account connects the implicit bias of attention, implicit bias for extrapolation in recurrent models, and the learning side of the RASP-L conjecture.