A Unified Framework for Critical Scaling of Inverse Temperature in Self-Attention

We study the long-context limit of softmax self-attention with a fixed query and a random context of $n$ i.i.d. keys on the sphere, viewing the inverse temperature $β_n$ as the scaling parameter that decides whether attention degenerates into uniform averaging or collapses onto the single closest key. We show that the critical scale at which selectivity emerges is determined by the local exponent of the distance-to-query distribution near zero rather than by global features of the context, and scales like $β_n^\ast \asymp n^{2/(d-1)}$ for uniform keys on $\mathbb{S}^{d-1}$. Furthermore, we characterize the limiting laws of the ordered attention weights and of the attention output across all regimes of $β_n$: a subcritical regime in which the output reduces to a local average around $q$ with explicit deterministic bias and Gaussian fluctuations; a critical regime in which a finite collection of nearest keys retains macroscopic mass without single-key collapse; and a supercritical regime in which all mass concentrates on the closest key. Of notable interest is the subcritical case with identity value matrix where the attention map approximately implements a backward heat equation.

Neural scaling laws describe how loss decreases as models, data, and compute grow, but they do not answer a prior question: for a fixed task, what is the minimum model capacity required to solve it? We study this through the Entropic Bound, a spectral notion of task-intrinsic capacity for Transformers. We first prove that, in a linear attention surrogate, the intrinsic rank $r^*$ of the token-mixing operator is a tight lower bound: any rank-deficient model incurs unavoidable excess risk, and the bound is achievable at $r^*$. We further show that gradient descent recovers this rank under standard low-rank implicit-bias assumptions, confirm all three properties empirically, and show $r^*$ is recoverable from data before training. We then ask whether this transfers to real attention. A naive transfer fails, and a controlled interpolation ladder localizes the cause precisely: it is not softmax and not a rank constraint, but the input-conditioned nature of attention's mixing operator, which a static weight kernel cannot summarize. Motivated by this, we introduce an attention-native intrinsic rank -- the minimum query-key kernel rank realizing the task within the attention class -- and show that under this definition the full Entropic Bound structure (deficiency, achievability, recovery) is restored for both linear and softmax attention, with the energy effective rank as the estimator robust to softmax distortion. Finally, we map the boundary of data-only predictability: $r^*$ is exactly recoverable for linear QK attention, even without the value map at scale, while softmax attention admits only partial pre-training recovery due to nonlinear inversion and kernel-value identifiability effects. Our results reframe the Entropic Bound from a post-hoc descriptor into an attention-native capacity measure with a precisely characterized predictability frontier.

Transformer self-attention can be interpreted as a gradient flow on the unit sphere, in which tokens evolve under softmax interaction potentials and tend to form clusters. While prior work has established clustering behavior for single-head attention, the multi-head setting remains less understood due to geometric interference between heads, which invalidates standard monotonicity arguments. In this work, we develop a theoretical framework for multi-head self-attention dynamics and resolve several open questions. We show that, under suitable conditions on the score matrices, a natural multi-head energy functional is non-decreasing along both flat and spherical dynamics. We identify the key obstruction to per-head monotonicity as radial shadow terms, which are projections of each head's output onto token directions, persisting even under orthogonality assumptions. We introduce a sufficient condition ensuring monotonicity and establish robustness to approximate orthogonality. In a simplified scalar-head regime with equiangular token configurations, we derive a closed-form expression for the critical inverse temperature governing clustering behavior, and show that heterogeneous heads exhibit super-additive clustering rates. In this regime, we also prove a separation in clustering time between ReLU and softmax attention in the linearized dynamics. Finally, we establish an entropy production identity and show that attention entropy increases monotonically toward equilibrium as clustering progresses. Our results provide a unified perspective on the dynamics of multi-head attention and clarify the mechanisms underlying clustering and stability in transformer models.