Large Language Models (LLMs) often exhibit "Attention Sink" (AS) and the accompanying "Massive Activations" (MAs) at the initial position of a sequence. These phenomena frequently co-occur, and MAs can pose challenges for low-bit quantization. In this study, we analyze the factors underlying AS and MAs that emerge at the initial position regardless of the token occupying it. Our experiments suggest that self-concentration of attention, resulting from the causal mask, and the subsequent Value-non-mixing in attention outputs contribute to AS and MAs. These findings provide new empirical evidence on the internal dynamics of LLMs, offering insights that may inform future quantization strategies and advance our understanding of the internal mechanisms of attention layers.
Despite the prevalence of the attention sink phenomenon in Large Language Models (LLMs), where initial tokens disproportionately monopolize attention scores, its structural origins remain elusive. This work provides a \textit{mechanistic explanation} for this phenomenon. First, we trace its root to the value aggregation process inherent in self-attention, which induces a systematic variance discrepancy. We further demonstrate that this discrepancy is drastically amplified by the activation of super neurons within Feed-Forward Network (FFN) layers. Specifically, the channel-sparse down-projections trigger a dimension disparity of the first-token representation, necessitating the formation of attention sinks as a structural anchor. Then, we validate this causal chain through two controlled interventions: (i) isolating the aggregation effect via attention mask modifications and (ii) amplifying the variance of targeted token representations. Both interventions can replicate attention sinks at arbitrary positions. Our mechanistic understanding offers a foundation for the systematic control of sink formation. Finally, as a proof of concept, we propose \textit{head-wise RMSNorm}, an architectural modification that stabilizes value aggregation outputs during pre-training. Our experiments demonstrate that restoring statistical parity across positions significantly accelerates convergence.
Analyzing attention weights has become a standard approach for interpreting the information flow of Large Language Models (LLMs). However, this approach has significant limitations as it neglects the geometric properties of the value vectors being aggregated. To address this gap, we introduce \emph{Contribution Weights}, a projection-based metric that quantifies a token's influence by accounting for it's attention weight, value magnitude, and directional alignment with the layer output. We demonstrate that contribution weights provide a more faithful measure of token importance, consistently outperforming attention-based metrics in identifying semantically critical tokens across different decoder-only models, tasks, and datasets. Further, our metric enables novel mechanistic analysis of \emph{attention sinks}. While previous work characterized sinks as passive repositories for excess attention, we reveal they serve an active functional role, suppressing information through a convex relationship between sink rate and output norm, stabilizing representations by opposing the semantic drift of low-confidence tokens.
Large Language Models (LLMs) are known to contain significant redundancy, yet a systematic explanation for why certain components, particularly in higher layers, are more redundant has remained elusive. In this work, we identify the BOS sink phenomenon as a key mechanism driving this layer-wise sensitivity. We show that attention heads with high BOS sink scores are strongly associated with functional redundancy: such heads, especially in deeper layers, contribute little to predictive performance and effectively serve as dumping grounds for superfluous attention weights. Leveraging this insight, we introduce a simple pruning strategy that removes high-BOS sink heads. Experiments on Gemma-3, Llama-3.1, and Qwen3 demonstrate that this approach identifies redundant transformer components more reliably than weight- and activation-based criteria in terms of downstream task retention, remaining close to dense baselines at low-to-moderate pruning ratios. We further find that high-scoring sink heads sustain their focus on BOS as context length grows. Overall, our results suggest that structural properties of attention offer a more direct basis for model compression than magnitude-based methods.