Boltzmann Attention: Learnable Ising Couplings for Cooperative Attention

Attention enables context modeling via query-key scoring with softmax normalization. Driven by industrial long-context demands, mainstream research has converged toward sparsity and efficiency--yet softmax's independence assumption persists. For scientific tasks unburdened by long-token constraints, however, richer structured coupling may often be essential, making tailored attention both viable and more appropriate. To this end, we propose Variational-Ising-Attention (VIA), which augments softmax normalization with an interacting Ising model; attention patterns emerge from learnable pairwise couplings via variational mean-field inference, redefining attention from a ranking over isolated items to a collective state over interacting entities. We instantiate VIA on retrosynthesis reaction center prediction, a task inherently governed by cooperative bond-breaking constraints. Comprehensive experiments across model variants, coupled with mechanistic analyses, demonstrate that VIA consistently and substantially outperforms standard softmax attention. More broadly, our findings suggest that for scientific problems, the optimal solution is not general-purpose efficiency, but appropriately tailored attention aligned with intrinsic domain structure. This work provides a theoretically grounded and empirically validated instantiation of this paradigm.

Transformers and deep state space models (SSMs) sit at opposite ends of a basic design choice: attention routes each query through a growing key-value (KV) cache by content-based matching at quadratic cost, while deep SSMs compress context into a fixed-size recurrent state that is not directly addressed by query-key matching. We propose Interdomain Attention, which integrates an SSM into an attention module through kernel methods: an attention kernel is approximated by a finite feature map, the resulting key features and values are projected onto a shared set of basis functions maintained by a single SSM recurrence, and each query attends to the compressed coefficients through its own feature map, recovering query-conditioned attention over a fixed-size state. The scalable layer is a learned relaxation of this derivation, and we validate its components through ablations. In a 125M to 1.3B autoregressive language-modeling study on FineWeb-Edu at matched recurrent-state budget, Interdomain Attention improves on an SSM token mixer at every scale, surpasses a same-recipe softmax baseline at 1.3B on validation perplexity and on the eight-task commonsense suite, and inherits the length-flat behavior of its fixed-state core out to 3.5x the training context. Ablations indicate that the query-conditioned projection is the main source of the gain.

Transformer models are increasingly used as computational models of cognition and neural representation, so the mechanism implemented by self-attention is of interest beyond engineering performance. A complementary tradition in cognitive science models coordination, binding, and memory through dynamical interactions such as oscillator synchrony; we bring this mechanism into self-attention by introducing the Kuramoto Attention layer, whose value update is a synchronization step. Each token carries a bank of phase oscillators, so its hidden state lives on a high-dimensional torus. The attention weights form an adaptive coupling graph, and using the raw phase states as values makes the value update exactly the Kuramoto coupling direction for fixed attention weights. The softmax selects which oscillators couple, while the value path moves each token toward the attention-weighted circular mean of the tokens it selects. We train Kuramoto Attention on enwiki8 and CodeParrot against parameter-matched RoPE and SwiGLU transformers. At 5M parameters on CodeParrot, it improves on the transformer by both median and mean, with mean gaps of 0.012 validation and 0.010 test bits per byte. At 5M on enwiki8, all six runs have lower validation/test medians than the transformer and all-seed means within 0.01 BPC; five of six also form a tight lower-mean cluster. At 1M, it trails by about 0.02 BPC on enwiki8 and by 0.013-0.015 bits per byte on CodeParrot. Ablations and phase diagnostics show how the layer's synchronization and geometry-motivated components shape model performance. The result is a self-attention mechanism whose learned computation can be read directly as adaptive synchronization on phase states.