Hasse Diagrams for Attention: A Partial Order Framework for Designing Transformer Masks

Transformers do not merely lack data on some Boolean extrapolation tasks; they generalize in a systematically wrong way. Recent work on generalization on the unseen has shown that, despite fitting the observed domain, Transformers often extrapolate according to a simpler minimum-degree interpolator rather than the true target function. These Boolean tasks are not practical applications, but controlled stress tests for understanding Transformer inductive bias. We ask whether this failure mode can be corrected by injecting explicit structural priors into attention. Existing structured-initialization methods alter Transformer inductive bias indirectly, by choosing query and key projections whose similarity scores approximate a desired attention pattern. However, we find that when applied to Boolean extrapolation, these QK-based priors can be rapidly overwritten during training and fail to change the learned extrapolation rule. We propose a simpler alternative: initialize the additive attention mask directly. Unlike standard hard masks used for causality or locality attention, our mask is a finite, learnable attention-logit bias initialized from task-level interaction structure. This separates the structural prior from content-dependent attention scores, allowing it to persist throughout optimization. On Boolean reasoning tasks, mask-based initialization achieves near-perfect extrapolation where vanilla and QK-initialized Transformers remain trapped by the default inductive bias. The same mechanism also improves low-data arithmetic performance and remains competitive on vision and language benchmarks. These results show that attention masks can serve not only as architectural constraints, but as a simple substrate for encoding persistent inductive bias in Transformers.

Transformers have become general-purpose architectures, but their all-to-all self-attention is poorly matched to graph data, whose interactions are sparse, structured and multi-scale. Existing Graph Transformers address this mismatch through structural encodings, hybrid message-passing modules or learned attention constraints, often introducing additional complexity and limited interpretability. Here we introduce X-LogSMask, an explainable multi-head logarithmic structural mask that injects symmetrically normalized graph topology directly into attention logits. The logarithmic transform converts structural connectivity into a topology-aware gating signal, suppressing unsupported node interactions while preserving feature-dependent attention. By assigning different powers of the normalized adjacency matrix to different attention heads, X-LogSMask gives each head a defined structural radius and supports multi-hop information propagation within a single layer. We further show that a standard Transformer encoder can be interpreted as one-step message passing on a complete graph, motivating X-LogSMask as a topology-constrained alternative to unrestricted self-attention. Across 20 node-, edge- and graph-level benchmarks, Transformers equipped with X-LogSMask achieve state-of-the-art performance on 13 datasets and remain competitive in a lightweight one-layer configuration. These results show that simple, interpretable structural masks can make self-attention an effective graph-learning operator without changing the Transformer architecture. The code is available at https://github.com/LiLeyan-0120/X-LogSMask.

What types of decision problems can a causally masked, finite-precision transformer solve for inputs of arbitrary length? Existing answers often rely on idealized arithmetic, but under finite precision, rounding and evaluation order can change what information attention retains and therefore what the model can compute. We develop an algebraic formalization that derives expressivity directly from the model's implemented dynamics. Its central object is its memory; the finite internal state computed by attention that summarizes the information from the prefix available to all future queries. Each attention head updates its own state independently within a layer, while layers compose hierarchically, providing a uniform route from model assumptions to expressivity bounds. Applying this method to transformers without positional embeddings, we obtain an expressivity hierarchy governed by the attention type under specific numerical semantics. Width-one sliding-window attention supports bounded-suffix memory, while a modified form of soft attention supports irreversible, checklist-like state, and combining the two mechanisms provides an interplay of both. Ordinary left-to-right floating-point soft attention can realize more expressive memory operations than any of the above. Algebraically, the four cases correspond to definite, R-trivial, locally R-trivial, and aperiodic semigroups. Under an explicit free-wiring assumption, all four bounds are tight.