In this paper, we point out that the objective of the retrieval algorithms is to align with the LLM, which is similar to the objective of knowledge distillation in LLMs. We analyze the similarity in information focus between the distilled language model(DLM) and the original LLM from the perspective of information theory, and thus propose a novel paradigm that leverages a DLM as the retrieval algorithm. Based on the insight, we present SpeContext, an algorithm and system co-design for long-context reasoning. (1) At the algorithm level, SpeContext proposes lightweight retrieval head based on the head-level attention weights of DLM, achieving > 90% parameters reduction by pruning the redundancy. (2) At the system level, SpeContext designs an asynchronous prefetch dataflow via the elastic loading strategy, effectively overlapping KV cache retrieval with the LLM computation. (3) At the compilation level, SpeContext constructs the theoretical memory model and implements an adaptive memory management system to achieve acceleration by maximizing GPU memory utilization. We deploy and evaluate SpeContext in two resourceconstrained environments, cloud and edge. Extensive experiments show that, compared with the Huggingface framework, SpeContext achieves up to 24.89x throughput improvement in cloud and 10.06x speedup in edge with negligible accuracy loss, pushing the Pareto frontier of accuracy and throughput.

Large language models are able to exploit in-context learning to access external knowledge beyond their training data through retrieval-augmentation. While promising, its inner workings remain unclear. In this work, we shed light on the mechanism of in-context retrieval augmentation for question answering by viewing a prompt as a composition of informational components. We propose an attribution-based method to identify specialized attention heads, revealing in-context heads that comprehend instructions and retrieve relevant contextual information, and parametric heads that store entities' relational knowledge. To better understand their roles, we extract function vectors and modify their attention weights to show how they can influence the answer generation process. Finally, we leverage the gained insights to trace the sources of knowledge used during inference, paving the way towards more safe and transparent language models.

Despite their impressive capabilities, Large Language Models (LLMs) exhibit unwanted uncertainty, a phenomenon where a model changes a previously correct answer into an incorrect one when re-prompted. This behavior undermines trust and poses serious risks in high-stakes domains. In this work, we investigate the mechanisms that drive this phenomenon. We adapt the Needle-in-a-Haystack retrieval framework and integrate a Flip-style re-evaluation prompt to simulate realistic answer-flipping scenarios. We find that retrieval heads are not primarily responsible for avoiding uncertainty. Instead, we identify a small set of non-retrieval attention heads that disproportionately attend to misleading tokens in uncertain contexts. Masking these heads yields significant improvements, reducing flip behavior by up to 15% without introducing incoherence or overcorrection. However, when tested for downstream tasks, we observe trade-offs with flip behavior. Our findings contribute to the growing field of mechanistic interpretability and present a simple yet effective technique for mitigating uncertainty-driven failure modes in LLMs.

Recent work has identified retrieval heads, a subset of attention heads responsible for retrieving salient information in long-context language models (LMs), as measured by their copy-paste behavior in Needlein-a-Haystack tasks. In this paper, we introduce QRHead (Query-Focused Retrieval Head), an improved set of attention heads that enhance retrieval from long context. We identify QRHead by aggregating attention scores with respect to the input query, using a handful of examples from real-world tasks (e.g., long-context QA). We further introduce QRRetriever, an efficient and effective retriever that uses the accumulated attention mass of QRHead as retrieval scores. We use QRRetriever for long-context reasoning by selecting the most relevant parts with the highest retrieval scores. On multi-hop reasoning tasks LongMemEval and CLIPPER, this yields over 10% performance gains over full context and outperforms strong dense retrievers. We also evaluate QRRetriever as a re-ranker on the BEIR benchmark and find that it achieves strong zero-shot performance, outperforming other LLM-based re-rankers such as RankGPT. Further analysis shows that both the query-context attention scoring and task selection are crucial for identifying QRHead with strong downstream utility. Overall, our work contributes a general-purpose retriever and offers interpretability insights into the long-context capabilities of LMs.

With the rapid development of large language models (LLMs), handling long context has become one of the vital abilities in LLMs. Such long-context ability is accompanied by difficulties in deployment, especially due to the increased consumption of KV cache. There is certain work aiming to optimize the memory footprint of KV cache, inspired by the observation that attention heads can be categorized into retrieval heads that are of great significance and streaming heads that are of less significance. Typically, identifying the streaming heads and and waiving the KV cache in the streaming heads would largely reduce the overhead without hurting the performance that much. However, since employing both retrieval and streaming heads in one layer decomposes one large round of attention computation into two small ones, it may unexpectedly bring extra latency on accessing and indexing tensors. Based on this intuition, we impose an important improvement to the identification process of retrieval and streaming heads, in which we design a criterion that enforces exclusively retrieval or streaming heads gathered in one unique layer. In this way, we further eliminate the extra latency and only incur negligible performance degradation. Our method named \textsc{ZigzagAttention} is competitive among considered baselines owing to reduced latency and comparable performance.

Recent advances in large language models (LLMs) have significantly boosted long-context processing. However, the increasing key-value (KV) cache size poses critical challenges to memory and execution efficiency. Most KV cache compression methods rely on heuristic token eviction using all attention heads in Grouped Query Attention (GQA)-based LLMs. This method ignores the different functionalities of attention heads, leading to the eviction of critical tokens and thus degrades the performance of LLMs. To address the issue above, instead of using all the attention heads in GQA-based LLMs to determine important tokens as in the previous work, we first identify the attention heads in each layer that are not only capable of retrieving the initial and final tokens of a prompt, but also capable of retrieving important tokens within the text and attending to their surrounding semantic context. Afterwards, we exploit such heads to determine the important tokens and retain their corresponding KV cache pairs. Furthermore, we analyze the cache eviction error of each layer individually and introduce a layer-adaptive KV cache allocation strategy. Experimental results demonstrate the proposed CompressKV consistently outperforms state-of-the-art approaches under various memory budgets on LongBench and Needle-in-a-Haystack benchmarks. Our code is publicly available at: https://github.com/TUDa-HWAI/CompressKV.git.

Advancements in Large Language Models (LLMs) have extended their input context length, yet they still struggle with retrieval and reasoning in long-context inputs. Existing methods propose to utilize the prompt strategy and retrieval head to alleviate this limitation. However, they still face challenges in balancing retrieval precision and recall, impacting their efficacy in answering questions. To address this, we introduce $\textbf{CAFE}$, a two-stage coarse-to-fine method to enhance multi-document question-answering capacities. By gradually eliminating the negative impacts of background and distracting documents, CAFE makes the responses more reliant on the evidence documents. Initially, a coarse-grained filtering method leverages retrieval heads to identify and rank relevant documents. Then, a fine-grained steering method guides attention to the most relevant content. Experiments across benchmarks show CAFE outperforms baselines, achieving up to 22.1% and 13.7% SubEM improvement over SFT and RAG methods on the Mistral model, respectively.

Recently, there has been growing interest in collecting reasoning-intensive pretraining data to improve LLMs' complex reasoning ability. Prior approaches typically rely on supervised classifiers to identify such data, which requires labeling by humans or LLMs, often introducing domain-specific biases. Due to the attention heads being crucial to in-context reasoning, we propose AttentionInfluence, a simple yet effective, training-free method without supervision signal. Our approach enables a small pretrained language model to act as a strong data selector through a simple attention head masking operation. Specifically, we identify retrieval heads and compute the loss difference when masking these heads. We apply AttentionInfluence to a 1.3B-parameter dense model to conduct data selection on the SmolLM corpus of 241B tokens, and mix the SmolLM corpus with the selected subset comprising 73B tokens to pretrain a 7B-parameter dense model using 1T training tokens and WSD learning rate scheduling. Our experimental results demonstrate substantial improvements, ranging from 1.4pp to 3.5pp, across several knowledge-intensive and reasoning-heavy benchmarks (i.e., MMLU, MMLU-Pro, AGIEval-en, GSM8K, and HumanEval). This demonstrates an effective weak-to-strong scaling property, with small models improving the final performance of larger models-offering a promising and scalable path for reasoning-centric data selection.

Large Language Models (LLMs) frequently show distracted attention due to irrelevant information in the input, which severely impairs their long-context capabilities. Inspired by recent studies on the effectiveness of retrieval heads in long-context factutality, we aim at addressing this distraction issue through improving such retrieval heads directly. We propose Multi-Document Attention Focusing (MuDAF), a novel method that explicitly optimizes the attention distribution at the head level through contrastive learning. According to the experimental results, MuDAF can significantly improve the long-context question answering performance of LLMs, especially in multi-document question answering. Extensive evaluations on retrieval scores and attention visualizations show that MuDAF possesses great potential in making attention heads more focused on relevant information and reducing attention distractions.

Ensuring contextual faithfulness in retrieval-augmented large language models (LLMs) is crucial for building trustworthy information-seeking systems, particularly in long-form question-answering (LFQA) scenarios. In this work, we identify a salient correlation between LFQA faithfulness and retrieval heads, a set of attention heads responsible for retrieving contextual information. Leveraging this insight, we propose RHIO, a framework designed to teach LLMs to explicitly discriminate between faithful and unfaithful generations. RHIO first augments unfaithful samples that simulate realistic model-intrinsic errors by selectively masking retrieval heads. Then, these samples are incorporated into joint training, enabling the model to distinguish unfaithful outputs from faithful ones conditioned on control tokens. Furthermore, these control tokens are leveraged to self-induce contrastive outputs, amplifying their difference through contrastive decoding. Additionally, to facilitate the evaluation of contextual faithfulness, we also introduce GroundBench, a comprehensive benchmark compiled from five existing LFQA datasets. Extensive experimental results on GroundBench demonstrate that RHIO significantly improves faithfulness, even outperforming GPT-4o.