Clustered Attractor Manifolds and Dynamical Condensation in Self-Attention
Authors: Qucheng Gao, Zuyi Yang, Xiao Chen
Organizations: Department of Physics, Boston College, Chestnut Hill, Massachusetts 02467, USA · Department of Physics, Tsinghua University, Beijing 100084, China
Transformer layers generate state-dependent interaction networks: token representations determine the attention matrix, which in turn updates the representations. We study this feedback in a minimal normalized self-attention dynamics and identify the overlap gap as the central quantity governing its attractor structure in the thermodynamic limit. When tokens form internally aligned clusters and their similarity to members of the same cluster exceeds that to every other cluster by a nonvanishing amount, inter-cluster attention is exponentially suppressed as the dimension increases. This mechanism produces a high-dimensional manifold of clustered fixed points, ranging from a few macroscopic clusters to extensive microscopic fragmentation, and also controls their stability against perturbations. Starting from an unstructured Gaussian state, we find that clustered states nucleate from the diffuse background only above a finite threshold in attention sharpness, giving rise to a dynamical attention-condensation transition.
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.
Transformers perform inference by iteratively transforming token representations across layers. This layerwise computation has been studied empirically, and recent mean-field theories of Transformer dynamics explain how attention can drive token distributions toward clustering. However, existing mean-field analyses largely treat model parameters as prescribed, leaving open how training reshapes this clustering picture. We study this question in a noisy mean-field Transformer in which only a parameter-linear FFN is trained under L2 regularization. We find and analyze a training-induced phase in the dynamics: after initially following attention-driven clustering, the token distribution can leave the clustered regime near the final layers. Our mathematical analysis is based on an entropy-regularized interaction energy that captures the clustering bias of attention. More broadly, our results point toward a training-aware mean-field theory of Transformer dynamics, in which training and inference dynamics are treated together.
Sparse attention reduces the quadratic cost of global self-attention while retaining strong empirical performance, but how its restricted interactions shape the evolution of token representations remains theoretically underexplored. Modeling tokens as particles on the unit sphere, we introduce opinion leader dynamics, a framework that identifies two mechanisms through which token groups converge internally while maintaining distinct limiting directions. In the explicit model, fixed representatives induce a potential that attracts tokens toward distinct local maxima. In the implicit model, disconnected interaction groups evolve toward separate consensus directions. We formulate both models as reverse Wasserstein gradient flows and establish exponential convergence under suitable conditions. We further connect these theoretical predictions to token evolution in frontier sparse-attention LLMs that motivate our framework. Across four benchmarks, Kimi-K3, MiniMax-M3, and DeepSeek-V4-Flash consistently exhibit clearer cluster separation and higher clustering scores than the dense-attention model GLM-4.7-Flash in projected token representations. These observations support the relevance of the predicted multiple-group structure to trained frontier LLMs, while finite-particle simulations illustrate the theoretical convergence behavior. Together, our results connect restricted token interactions to distinct group-level attractors, providing a dynamical account of how sparse attention can support alignment within groups while preserving separation between them.