Structured pruning offers a hardware-friendly approach for efficient LLM inference. Early static methods determine fixed subnetworks through offline calibration, suffering from performance degradation and calibration sensitivity. Recent methods explore input-adaptive pruning by selecting a subset of tokens as probes to estimate hidden activations for online pruning decisions.However, existing probe selection strategies fail to identify outlier-triggering tokens, and uniform layer-wise sparsity misaligns with heterogeneous outlier distributions, leading to critical channels being incorrectly pruned. Therefore, we propose OCP (Outlier-Centric Probing for structured pruning), a principled framework that prioritizes capturing outlier-triggering tokens rather than reconstructing full hidden distributions. Specifically, OCP includes three key components: (1) sensitivity-weighted probing for FFN layers that identifies outlier patterns via precomputed weight aggregations, (2) attention-accumulated probing that leverages preceding attention matrices to identify salient tokens, and (3) online adaptive sparsity allocation that dynamically adjusts layer-wise pruning based on history-guided outlier statistics. Extensive experiments on LLaMA2, LLaMA3, and OPT demonstrate that OCP consistently outperforms state-of-the-art methods across benchmarks, achieving up to 25% perplexity reduction at 1.6× speedup.

Large Language Models (LLMs) exhibit strong general reasoning but struggle in molecular science due to the lack of explicit priors required for precise chemical reasoning. Current solutions inject priors into parameters, but this static coupling hinders rapid knowledge updates and often compromises the model’s general capabilities. To address this, we introduce REAP, a training-free framework that equips LLMs with an external knowledge base, enabling them to reason over retrieved chemical priors dynamically. REAP implements a structured reasoning pipeline that autonomously selects relevant priors from our constructed atom-level knowledge base, retrieves analogue exemplars, and synthesizes these information to guide the LLM’s decision-making. This architecture ensures interpretability and adaptability while preserving the LLM’s intrinsic general intelligence. Experiments show that REAP outperforms current reasoning methods and rivals state-of-the-art training-based models, demonstrating the effectiveness of our framework.