We give a complete characterization of equivariant multi-head self-attention (MHSA): if an MHSA layer is equivariant to a symmetry group $G$, then $G$ can only act by permuting head-clusters, with QK and OV matrices satisfying an equivariance constraint tied to the group action. As a consequence, we prove that any fixed MHSA architecture that achieves exact equivariance by polynomially parameterizing unconstrained MHSA parameters inevitably leads to expressivity loss within the class of equivariant maps: the equivariance locus of unconstrained MHSA forms a union of extremely many Zariski-irreducible components in a reduced parameter space, and any single architecture covers at most one. For $G=D_4$ acting on $C$ copies of the regular representation as the token feature space, we show that there are $Ω(C^{64})$ components for eight attention heads.
Sixu Li, Thomas Jacob Maranzatto, Jan Peszek +5cs.LG math.DS
We study the inference-time behavior of deep linear encoder-only transformers through the lens of interacting particle systems. In this perspective, tokens are modeled as particles that interact dynamically through successive linear self-attention layers. We show that in embedding dimension two, for any key, query, and value matrices, the dynamics can be reformulated as a generalized Kuramoto-type model with pure second-harmonic coupling. This formulation is amenable to Watanabe--Strogatz theory which reveals the dynamics are intrinsically low-dimensional regardless of the parameter matrices. For a class of token initializations associated with the Ott--Antonsen (OA) manifold, we show that the parameter matrices induce a diverse variety of long-time behaviors in linear transformers, including clustering, oscillations, and bifurcations. The oscillations and bifurcations are characterized by uncovering a hidden Hamiltonian structure in the dynamics. By establishing a structural stability result, we further show that dynamics initialized near the OA manifold exhibit the same long-time behavior as those initialized exactly on the manifold. Motivated by our theory in dimension two, we conduct numerical experiments for analogous parameter regimes in higher-dimensional transformers. Our numerical experiments suggest that the long-time behaviors characterized in our theoretical results persist in higher dimensions.
Self-attention is a ubiquitous primitive in modern sequence models, yet its operator-level geometry is only partially understood. We view a token sequence as a vector field over the token-position graph and identify attention as a connection walk: messages are aggregated by a nonnegative walk matrix while being transported along each edge by a learned linear map. Within this framework, we prove that single-head attention (SHA) is exactly a connection propagation step with constant transport, and that multi-head attention (MHA) is exactly a single edge-dependent connection walk whose effective transport is an attention-gated mixture of headwise transports. We further clarify the conditions under which the corresponding generator reduces to a random-walk connection Laplacian, highlighting the roles of stochasticity, reversibility, and metric-compatible transports. Empirically, we find that trained Transformers across scales (from 124M to 8B) and structures (encoder/decoder) exhibit geometric structure consistent with our theory: effective attention graphs converge to stable geometric operators in deeper layers, learned transports self-organize into approximate scaled isometries, and both phenomena strengthen consistently with scale. Overall, the paper provides a precise connection-walk formalism that links self-attention to classical geometric operators, along with a set of operator-level tools for analyzing transformer models from a geometric perspective.
This paper develops a mean-field theory for a simplified single-layer causal multi-head self-attention model trained by cross-entropy minimization. Each attention head is treated as a particle in parameter space, and the empirical law of the heads is used as the large-head state variable. In the infinite-head limit, the averaged attention logits define a risk functional on probability measures, whose first variation generates a nonlinear Wasserstein gradient-flow equation. Unlike classical mean-field analyses of shallow networks that often focus on square-loss regression, the present model contains the softmax residual from the cross-entropy objective and the query-key-value structure of masked self-attention. We prove a static finite-head approximation bound for the optimal risk, characterize global minimizers through a variational support condition, and establish a quantitative finite-time propagation-of-chaos estimate comparing finite-head stochastic gradient descent with the limiting PDE. We then study the long-time behavior of the PDE: energy dissipation, convergence to the stationary set under compactness, convergence to a single stationary measure under topological or Kurdyka--Łojasiewicz assumptions, and explicit convergence rates under gradient-domination conditions. Finally, we prove local exponential stability under a Wasserstein strong-monotonicity condition and give verifiable stability and instability criteria for Dirac stationary measures. The results provide a rigorous baseline mean-field framework for attention-head training and clarify the additional compactness, landscape, and curvature assumptions needed to pass from stationarity to convergence and stability.
Kyunghoo Mun, Matthew Rosenzweigmath.AP math-ph math.PR stat.ML
We study the McKean--Vlasov free energy on the unit sphere associated with the unnormalized self-attention (USA) model for noisy transformer dynamics. We prove a sharp global-minimizer dichotomy in every dimension $d\ge2$. There is a unique $β_*^{(d)}>0$ such that \begin{equation*} \frac{I_{d/2+1}(β_*^{(d)})}{I_{d/2}(β_*^{(d)})}=\frac1d, \end{equation*} where $I_ν$ is the modified Bessel function of the first kind. For $0<β\le β_*^{(d)}$, the uniform density remains the unique global minimizer up to the linear-stability threshold \begin{equation*} K_\#^{(d)}(β)=\frac{β^{d/2}}{2^{d/2}Γ(d/2)I_{d/2}(β)}, \end{equation*} and the phase transition is continuous. For $β>β_*^{(d)}$, the uniform density is not globally minimizing at $K_\#^{(d)}(β)$, so the critical coupling satisfies $K_c<K_\#^{(d)}(β)$ and the transition is discontinuous. This result generalizes the authors' recent $d=2$ work arXiv:2604.16288 to arbitrary dimension. The proof uses the sharp Beckner--Onofri/logarithmic Hardy-Littlewood-Sobolev (HLS) inequality on the sphere, together with a Funk--Hecke/Bessel coefficient computation and a degree-two quartic obstruction.
Andrea Agazzi, Giuseppe Bruno, Eloy Mosig García +2math.PR cs.LG stat.ML
We prove pathwise convergence of the layerwise evolution of tokens in a finite-depth, finite-width transformer model with MultiLayer Perceptron (MLP) blocks to a continuous-time stochastic interacting particle system. We also identify the stochastic partial differential equation describing the evolution of the tokens' distribution in this limit and prove propagation of chaos when the number of such tokens is large. The bounds we establish are quantitative and the limits we consider commute. We further prove that the limiting stochastic model displays synchronization by noise and establish exponential dissipation of the interaction energy on average, provided that the common noise is sufficiently coercive relative to the deterministic self-attention drift. We finally characterize the activation functions satisfying the former condition.