Beyond Pairwise Attention: Higher-Order Modular Attention for Efficient Sequence Learning

The self-attention mechanism, at the heart of the Transformer model, is able to effectively model pairwise interactions between tokens. However, numerous recent works have shown that it is unable to perform basic tasks involving detecting triples of correlated tokens, or compositional tasks where multiple input tokens need to be referenced to generate a result. Some higher-dimensional alternatives to self-attention have been proposed to address this, including higher-order attention and Strassen attention, which can perform some of these polyadic tasks in exchange for slower, superquadratic running times. In this work, we define a vast class of generalizations of self-attention, which we call poly-attention mechanisms. Our mechanisms can incorporate arbitrary higher-order (tensor) computations as well as arbitrary relationship structures between the input tokens, and they include the aforementioned alternatives as special cases. We then systematically study their computational complexity and representational strength, including giving new algorithms and matching complexity-theoretic lower bounds on the time complexity of computing the attention matrix exactly as well as approximately, and tightly determining which polyadic tasks they can each perform. Our results give interesting trade-offs between different desiderata for these mechanisms, including a tight relationship between how expressive a mechanism is, and how large the coefficients in the model may be so that the mechanism can be approximated in almost-linear time. Notably, we give a new attention mechanism which can be computed exactly in quadratic time, and which can perform function composition for any fixed number of functions. Prior mechanisms, even for just composing two functions, could only be computed in superquadratic time, and our new lower bounds show that faster algorithms for them are not possible.

Attention mechanisms are central to modern sequence models, yet standard attention computes relevance primarily through individual query--key similarities. Although softmax normalization introduces competition among positions, a standard attention layer does not explicitly parameterize learnable interactions between attention decisions. This limits its ability to directly model cooperative or antagonistic co-attention structure within the attention mechanism itself. We propose Boltzmann attention, an energy-based generalization in which attention patterns are governed by an interacting Ising model. The method augments the usual data-dependent local fields with learnable pairwise couplings, allowing the model to represent inter-position correlations beyond those captured by softmax or sigmoid attention. Experiments on character-level language modeling and synthetic bracket matching show that Boltzmann attention consistently improves over standard softmax attention within a standard Transformer architecture, with the advantage becoming more pronounced as sequence length increases. A four-way ablation confirms that the improvement arises from the learnable pairwise couplings. These results suggest that explicit inter-position interactions provide a principled enhancement for attention-based sequence modeling. Moreover, the Ising formulation opens a natural path toward quantum-computing-based sampling strategies: we demonstrate that diabatic quantum annealing provides a practical training method while maintaining competitive performance with exact Boltzmann computation.

Long-context sequence models face a fundamental tradeoff: softmax attention uses flexible token-level interactions at quadratic cost, whereas linear attention obtains linear-time training and constant-time decoding by compressing history into a fixed-size state. In this work, we ask whether we can connect these regimes through a tunable notion of structure. To this end, we introduce Structured Matrix Attention (SMat-Attention) via a family of causal masks with structured long-range routing whose row supports have VC-dimension $d$. In our construction, $d=1$ recovers the standard causal mask, and increasing $d$ permits richer subset-routing patterns. We give chunkwise forward and backward algorithms to enable hardware-efficiency. For sequences of length $T$, the hard-routing construction takes $O(T^{2-3/d}+T)$ work, despite the mask being dense, for our prescribed family. In fixed-horizon streaming, decoding after the distant prefix takes constant time per token using $O(T^{1-1/d})$ cached states. SMat-Attention therefore makes VC-dimension an explicit knob governing access-pattern complexity, prefill cost, and decoding memory. Empirically, subset-routing and rule-assisted multi-key retrieval experiments illustrate the masks' routing expressiveness. Extensions to Mamba-2 and Gated DeltaNet using learned routing with top-$k$ query reads retain subquadratic prefill, improve recall accuracy over the backbones in several settings, and achieve comparable small-scale language-modeling performance.