LoKiFormer: Locality-aware Attention with Decoupled Knowledge Memory for Efficient Large Language Model Pretraining

Large language models (LLMs) have achieved remarkable breakthroughs across various applications. However, their architectures remain inefficient in pretraining due to two main limitations: (i) self-attention lacks an explicit inductive bias for locality, leading to redundant modeling of sequence-internal local information; (ii) mixture-of-experts (MoE) implicitly couples knowledge storage with computational pathways, hindering flexible access to sequence-external global knowledge. To overcome these limitations, we propose LoKiFormer, a novel LLM architecture that augments the standard decoder with two dedicated modules: 1) Local Fusion Attention (LFA), which incorporates a convolutional fusion to attention, explicitly capturing local patterns and allowing the attention to operate on more informative representations; 2) Knowledge Memory Module (KMM), which introduces a parametric key-value memory that explicitly stores global knowledge in addressable slots, decoupling storage from computation and enabling direct knowledge retrieval. Together, these modules enable LoKiFormer to achieve more efficient and effective integration of information at both levels. Experimental results show that LoKiFormer converges 1.33x faster in pre-training than baseline models, underscoring its superiority over existing LLM architectures.

PaMM: Periodic Motif Memory for Atomistic Models with an Explicit Local-Structure Interface

Periodic crystals repeatedly instantiate similar local coordination motifs across translated cells and chemically related structures, but current equivariant atomistic models usually encode these patterns only implicitly in dense edge features. We introduce PaMM, a periodic motif memory that augments the UMA eSCN-MD edge encoder with explicit pair and triplet lookup features. Pair motifs are keyed by $(Z_j, Z_i, b_r)$ and triplet motifs by $(Z_j, Z_i, Z_k, b_θ)$, hashed into fixed-size tables and fused with the baseline edge representation through lightweight gate-only and affine-equipped variants. We evaluate PaMM in a matched UMA-S OMAT setting and focus on a narrow question: whether explicit motif memory helps at a fixed intermediate training budget. At the 10k-step checkpoint, both PaMM variants improve over the plain baseline; gate-only gives the best energy MAE, while the affine-equipped variant gives the best force MAE. A matched 20k follow-up keeps the same operating-point picture. Aligned controls show that the gain weakens for pair-only, triplet-only, random-bucket, and parameter-matched MLP alternatives, suggesting that the benefit is tied to structured pair/triplet organization rather than generic added capacity. A within-OMAT24 source-family evaluation also shows small but consistent gains across held-out generation families. We therefore make a focused claim: in the studied UMA-S + OMAT regime, explicit pair/ triplet motif memory is a useful inductive bias for periodic atomistic modeling. We do not claim broad cross-dataset transfer, a uniquely preferred fusion variant, or strong scientific interpretability beyond a more inspectable local-structure interface.