Daily Papers

Large Language Model can reasonably understand and generate human expressions but may lack of thorough thinking and reasoning mechanisms. Recently there have been several studies which enhance the thinking ability of language models but most of them are not data-driven or training-based. In this paper, we are motivated by the cognitive mechanism in the natural world, and design a novel model architecture called TaS which allows it to first consider the thoughts and then express the response based upon the query. We design several pipelines to annotate or generate the thought contents from prompt-response samples, then add language heads in a middle layer which behaves as the thinking layer. We train the language model by the thoughts-augmented data and successfully let the thinking layer automatically generate reasonable thoughts and finally output more reasonable responses. Both qualitative examples and quantitative results validate the effectiveness and performance of TaS. Our code is available at https://anonymous.4open.science/r/TadE.

The Fon language, spoken by an average 2 million of people, is a truly low-resourced African language, with a limited online presence, and existing datasets (just to name but a few). Multitask learning is a learning paradigm that aims to improve the generalization capacity of a model by sharing knowledge across different but related tasks: this could be prevalent in very data-scarce scenarios. In this paper, we present the first explorative approach to multitask learning, for model capabilities enhancement in Natural Language Processing for the Fon language. Specifically, we explore the tasks of Named Entity Recognition (NER) and Part of Speech Tagging (POS) for Fon. We leverage two language model heads as encoders to build shared representations for the inputs, and we use linear layers blocks for classification relative to each task. Our results on the NER and POS tasks for Fon, show competitive (or better) performances compared to several multilingual pretrained language models finetuned on single tasks. Additionally, we perform a few ablation studies to leverage the efficiency of two different loss combination strategies and find out that the equal loss weighting approach works best in our case. Our code is open-sourced at https://github.com/bonaventuredossou/multitask_fon.

In-context Learning (ICL) is an emerging few-shot learning paradigm on Language Models (LMs) with inner mechanisms un-explored. There are already existing works describing the inner processing of ICL, while they struggle to capture all the inference phenomena in large language models. Therefore, this paper proposes a comprehensive circuit to model the inference dynamics and try to explain the observed phenomena of ICL. In detail, we divide ICL inference into 3 major operations: (1) Summarize: LMs encode every input text (demonstrations and queries) into linear representation in the hidden states with sufficient information to solve ICL tasks. (2) Semantics Merge: LMs merge the encoded representations of demonstrations with their corresponding label tokens to produce joint representations of labels and demonstrations. (3) Feature Retrieval and Copy: LMs search the joint representations similar to the query representation on a task subspace, and copy the searched representations into the query. Then, language model heads capture these copied label representations to a certain extent and decode them into predicted labels. The proposed inference circuit successfully captured many phenomena observed during the ICL process, making it a comprehensive and practical explanation of the ICL inference process. Moreover, ablation analysis by disabling the proposed steps seriously damages the ICL performance, suggesting the proposed inference circuit is a dominating mechanism. Additionally, we confirm and list some bypass mechanisms that solve ICL tasks in parallel with the proposed circuit.

The development of monolingual language models for low and mid-resource languages continues to be hindered by the difficulty in sourcing high-quality training data. In this study, we present a novel cross-lingual vocabulary transfer strategy, trans-tokenization, designed to tackle this challenge and enable more efficient language adaptation. Our approach focuses on adapting a high-resource monolingual LLM to an unseen target language by initializing the token embeddings of the target language using a weighted average of semantically similar token embeddings from the source language. For this, we leverage a translation resource covering both the source and target languages. We validate our method with the Tweeties, a series of trans-tokenized LLMs, and demonstrate their competitive performance on various downstream tasks across a small but diverse set of languages. Additionally, we introduce Hydra LLMs, models with multiple swappable language modeling heads and embedding tables, which further extend the capabilities of our trans-tokenization strategy. By designing a Hydra LLM based on the multilingual model TowerInstruct, we developed a state-of-the-art machine translation model for Tatar, in a zero-shot manner, completely bypassing the need for high-quality parallel data. This breakthrough is particularly significant for low-resource languages like Tatar, where high-quality parallel data is hard to come by. By lowering the data and time requirements for training high-quality models, our trans-tokenization strategy allows for the development of LLMs for a wider range of languages, especially those with limited resources. We hope that our work will inspire further research and collaboration in the field of cross-lingual vocabulary transfer and contribute to the empowerment of languages on a global scale.

This technical report presents QwenLong-CPRS, a context compression framework designed for explicit long-context optimization, addressing prohibitive computation overhead during the prefill stage and the "lost in the middle" performance degradation of large language models (LLMs) during long sequence processing. Implemented through a novel dynamic context optimization mechanism, QwenLong-CPRS enables multi-granularity context compression guided by natural language instructions, achieving both efficiency gains and improved performance. Evolved from the Qwen architecture series, QwenLong-CPRS introduces four key innovations: (1) Natural language-guided dynamic optimization, (2) Bidirectional reasoning layers for enhanced boundary awareness, (3) Token critic mechanisms with language modeling heads, and (4) Window-parallel inference. Comprehensive evaluations across five benchmarks (4K-2M word contexts) demonstrate QwenLong-CPRS's threefold effectiveness: (1) Consistent superiority over other context management methods like RAG and sparse attention in both accuracy and efficiency. (2) Architecture-agnostic integration with all flagship LLMs, including GPT-4o, Gemini2.0-pro, Claude3.7-sonnet, DeepSeek-v3, and Qwen2.5-max, achieves 21.59times context compression alongside 19.15-point average performance gains; (3) Deployed with Qwen2.5-32B-Instruct, QwenLong-CPRS surpasses leading proprietary LLMs by 4.85 and 10.88 points on Ruler-128K and InfiniteBench, establishing new SOTA performance.

While the ability of language models to elicit facts has been widely investigated, how they handle temporally changing facts remains underexplored. We discover Temporal Heads, specific attention heads primarily responsible for processing temporal knowledge through circuit analysis. We confirm that these heads are present across multiple models, though their specific locations may vary, and their responses differ depending on the type of knowledge and its corresponding years. Disabling these heads degrades the model's ability to recall time-specific knowledge while maintaining its general capabilities without compromising time-invariant and question-answering performances. Moreover, the heads are activated not only numeric conditions ("In 2004") but also textual aliases ("In the year ..."), indicating that they encode a temporal dimension beyond simple numerical representation. Furthermore, we expand the potential of our findings by demonstrating how temporal knowledge can be edited by adjusting the values of these heads.

The current large language models are mainly based on decode-only structure transformers, which have great in-context learning (ICL) capabilities. It is generally believed that the important foundation of its ICL capability is the induction heads mechanism, which requires at least two layers attention. In order to more efficiently implement the ability of the model's induction, we revisit the induction heads mechanism and proposed a KV shifting attention. We theoretically prove that the KV shifting attention reducing the model's requirements for the depth and width of the induction heads mechanism. Our experimental results demonstrate that KV shifting attention is beneficial to learning induction heads and language modeling, which lead to better performance or faster convergence from toy models to the pre-training models with more than 10 B parameters.

Multilingual transformer-based models demonstrate remarkable zero and few-shot transfer across languages by learning and reusing language-agnostic features. However, as a fixed-size model acquires more languages, its performance across all languages degrades, a phenomenon termed interference. Often attributed to limited model capacity, interference is commonly addressed by adding additional parameters despite evidence that transformer-based models are overparameterized. In this work, we show that it is possible to reduce interference by instead identifying and pruning language-specific parameters. First, we use Shapley Values, a credit allocation metric from coalitional game theory, to identify attention heads that introduce interference. Then, we show that removing identified attention heads from a fixed model improves performance for a target language on both sentence classification and structural prediction, seeing gains as large as 24.7\%. Finally, we provide insights on language-agnostic and language-specific attention heads using attention visualization.

Since the advent of ChatGPT, Large Language Models (LLMs) have excelled in various tasks but remain largely as black-box systems. Consequently, their development relies heavily on data-driven approaches, limiting performance enhancement through changes in internal architecture and reasoning pathways. As a result, many researchers have begun exploring the potential internal mechanisms of LLMs, aiming to identify the essence of their reasoning bottlenecks, with most studies focusing on attention heads. Our survey aims to shed light on the internal reasoning processes of LLMs by concentrating on the interpretability and underlying mechanisms of attention heads. We first distill the human thought process into a four-stage framework: Knowledge Recalling, In-Context Identification, Latent Reasoning, and Expression Preparation. Using this framework, we systematically review existing research to identify and categorize the functions of specific attention heads. Furthermore, we summarize the experimental methodologies used to discover these special heads, dividing them into two categories: Modeling-Free methods and Modeling-Required methods. Also, we outline relevant evaluation methods and benchmarks. Finally, we discuss the limitations of current research and propose several potential future directions. Our reference list is open-sourced at https://github.com/IAAR-Shanghai/Awesome-Attention-Heads.

Although it is known that transformer language models (LMs) pass features from early layers to later layers, it is not well understood how this information is represented and routed by the model. By analyzing particular mechanism LMs use to accomplish this, we find that it is also used to recall items from a list, and show that this mechanism can explain an otherwise arbitrary-seeming sensitivity of the model to the order of items in the prompt. Specifically, we find that models write into low-rank subspaces of the residual stream to represent features which are then read out by specific later layers, forming low-rank communication channels between layers. By decomposing attention head weight matrices with the Singular Value Decomposition (SVD), we find that previously described interactions between heads separated by one or more layers can be predicted via analysis of their weight matrices. We show that it is possible to manipulate the internal model representations as well as edit model weights based on the mechanism we discover in order to significantly improve performance on our synthetic Laundry List task, which requires recall from a list, often improving task accuracy by over 20%. Our analysis reveals a surprisingly intricate interpretable structure learned from language model pretraining, and helps us understand why sophisticated LMs sometimes fail in simple domains, facilitating future analysis of more complex behaviors.

Large language models (LLMs) achieve state-of-the-art performance on multiple language tasks, yet their safety guardrails can be circumvented, leading to harmful generations. In light of this, recent research on safety mechanisms has emerged, revealing that when safety representations or component are suppressed, the safety capability of LLMs are compromised. However, existing research tends to overlook the safety impact of multi-head attention mechanisms, despite their crucial role in various model functionalities. Hence, in this paper, we aim to explore the connection between standard attention mechanisms and safety capability to fill this gap in the safety-related mechanistic interpretability. We propose a novel metric which tailored for multi-head attention, the Safety Head ImPortant Score (Ships), to assess the individual heads' contributions to model safety. Based on this, we generalize Ships to the dataset level and further introduce the Safety Attention Head AttRibution Algorithm (Sahara) to attribute the critical safety attention heads inside the model. Our findings show that the special attention head has a significant impact on safety. Ablating a single safety head allows aligned model (e.g., Llama-2-7b-chat) to respond to 16 times more harmful queries, while only modifying 0.006% of the parameters, in contrast to the ~ 5% modification required in previous studies. More importantly, we demonstrate that attention heads primarily function as feature extractors for safety and models fine-tuned from the same base model exhibit overlapping safety heads through comprehensive experiments. Together, our attribution approach and findings provide a novel perspective for unpacking the black box of safety mechanisms within large models.

Despite significant advancements in Large Vision Language Models (LVLMs), a gap remains, particularly regarding their interpretability and how they locate and interpret textual information within images. In this paper, we explore various LVLMs to identify the specific heads responsible for recognizing text from images, which we term the Optical Character Recognition Head (OCR Head). Our findings regarding these heads are as follows: (1) Less Sparse: Unlike previous retrieval heads, a large number of heads are activated to extract textual information from images. (2) Qualitatively Distinct: OCR heads possess properties that differ significantly from general retrieval heads, exhibiting low similarity in their characteristics. (3) Statically Activated: The frequency of activation for these heads closely aligns with their OCR scores. We validate our findings in downstream tasks by applying Chain-of-Thought (CoT) to both OCR and conventional retrieval heads and by masking these heads. We also demonstrate that redistributing sink-token values within the OCR heads improves performance. These insights provide a deeper understanding of the internal mechanisms LVLMs employ in processing embedded textual information in images.

Pre-trained Language Models (LMs) exhibit strong zero-shot and in-context learning capabilities; however, their behaviors are often difficult to control. By utilizing Reinforcement Learning from Human Feedback (RLHF), it is possible to fine-tune unsupervised LMs to follow instructions and produce outputs that reflect human preferences. Despite its benefits, RLHF has been shown to potentially harm a language model's reasoning capabilities and introduce artifacts such as hallucinations where the model may fabricate facts. To address this issue we introduce Direct Preference Heads (DPH), a fine-tuning framework that enables LMs to learn human preference signals through an auxiliary reward head without directly affecting the output distribution of the language modeling head. We perform a theoretical analysis of our objective function and find strong ties to Conservative Direct Preference Optimization (cDPO). Finally we evaluate our models on GLUE, RACE, and the GPT4All evaluation suite and demonstrate that our method produces models which achieve higher scores than those fine-tuned with Supervised Fine-Tuning (SFT) or Direct Preference Optimization (DPO) alone.

Recent advances in generative modeling have spurred a resurgence in the field of Embodied Artificial Intelligence (EAI). EAI systems typically deploy large language models to physical systems capable of interacting with their environment. In our exploration of EAI for industrial domains, we successfully demonstrate the feasibility of co-located, human-robot teaming. Specifically, we construct an experiment where an Augmented Reality (AR) headset mediates information exchange between an EAI agent and human operator for a variety of inspection tasks. To our knowledge the use of an AR headset for multimodal grounding and the application of EAI to industrial tasks are novel contributions within Embodied AI research. In addition, we highlight potential pitfalls in EAI's construction by providing quantitative and qualitative analysis on prompt robustness.

Large Language Models (LLMs) often struggle with complex reasoning scenarios. While preference optimization methods enhance reasoning performance through training, they often lack transparency in why one reasoning outcome is preferred over another. Verbal reflection techniques improve explainability but are limited in LLMs' critique and refinement capacity. To address these challenges, we introduce a contrastive reflection synthesis pipeline that enhances the accuracy and depth of LLM-generated reflections. We further propose a dual-model reasoning framework within a verbal reinforcement learning paradigm, decoupling inference-time self-reflection into specialized, trained models for reasoning critique and refinement. Extensive experiments show that our framework outperforms traditional preference optimization methods across all evaluation metrics. Our findings also show that "two heads are better than one", demonstrating that a collaborative Reasoner-Critic model achieves superior reasoning performance and transparency, compared to single-model approaches.

Reasoning large language models exhibit complex reasoning behaviors through the extended chain-of-thought generation, creating unprecedented Key-Value (KV) cache overhead during the decoding phase. Existing KV cache compression methods underperform on reasoning models: token-dropping methods break reasoning integrity by discarding critical information, while head-reallocating methods mistakenly compress reasoning-critical heads since they are designed for retrieval tasks, resulting in significant performance degradation as compression rates increase. We hypothesize that KV heads exhibit functional heterogeneity in reasoning models-some heads are critical for chain-of-thought consistency while others are compressible. To validate and exploit this insight, we propose RLKV, a novel reasoning-critical head identification framework, which uses reinforcement learning to directly optimize the relationship between each head's cache usage and reasoning quality. As RLKV produces rewards from actual generated samples during training, it naturally identifies heads relevant to reasoning behaviors. We then allocate full KV cache to these heads while applying compressed constant KV cache to others for efficient inference. Our experiments reveal that only a small fraction of attention heads is essential for reasoning, enabling our KV compression approach to outperform baseline methods while achieving 20-50% cache reduction with near lossless performance compared to uncompressed results.

Recent advancements in Multimodal Large Language Models (MLLMs) have demonstrated remarkable progress in visual understanding. This impressive leap raises a compelling question: how can language models, initially trained solely on linguistic data, effectively interpret and process visual content? This paper aims to address this question with systematic investigation across 4 model families and 4 model scales, uncovering a unique class of attention heads that focus specifically on visual content. Our analysis reveals a strong correlation between the behavior of these attention heads, the distribution of attention weights, and their concentration on visual tokens within the input. These findings enhance our understanding of how LLMs adapt to multimodal tasks, demonstrating their potential to bridge the gap between textual and visual understanding. This work paves the way for the development of AI systems capable of engaging with diverse modalities.

This paper presents a novel technique for accelerating inference in large, pre-trained language models (LLMs) by introducing early exits during inference. The computational demands of these models, used across a wide range of applications, can be substantial. By capitalizing on the inherent variability in token complexity, our approach enables selective acceleration of the inference process. Specifically, we propose the integration of early exit ''heads'' atop existing transformer layers, which facilitate conditional terminations based on a confidence metric. These heads are trained in a self-supervised manner using the model's own predictions as training data, thereby eliminating the need for additional annotated data. The confidence metric, established using a calibration set, ensures a desired level of accuracy while enabling early termination when confidence exceeds a predetermined threshold. Notably, our method preserves the original accuracy and reduces computational time on certain tasks, leveraging the existing knowledge of pre-trained LLMs without requiring extensive retraining. This lightweight, modular modification has the potential to greatly enhance the practical usability of LLMs, particularly in applications like real-time language processing in resource-constrained environments.

In this work we present successor heads: attention heads that increment tokens with a natural ordering, such as numbers, months, and days. For example, successor heads increment 'Monday' into 'Tuesday'. We explain the successor head behavior with an approach rooted in mechanistic interpretability, the field that aims to explain how models complete tasks in human-understandable terms. Existing research in this area has found interpretable language model components in small toy models. However, results in toy models have not yet led to insights that explain the internals of frontier models and little is currently understood about the internal operations of large language models. In this paper, we analyze the behavior of successor heads in large language models (LLMs) and find that they implement abstract representations that are common to different architectures. They form in LLMs with as few as 31 million parameters, and at least as many as 12 billion parameters, such as GPT-2, Pythia, and Llama-2. We find a set of 'mod-10 features' that underlie how successor heads increment in LLMs across different architectures and sizes. We perform vector arithmetic with these features to edit head behavior and provide insights into numeric representations within LLMs. Additionally, we study the behavior of successor heads on natural language data, identifying interpretable polysemanticity in a Pythia successor head.

We propose Hymba, a family of small language models featuring a hybrid-head parallel architecture that integrates transformer attention mechanisms with state space models (SSMs) for enhanced efficiency. Attention heads provide high-resolution recall, while SSM heads enable efficient context summarization. Additionally, we introduce learnable meta tokens that are prepended to prompts, storing critical information and alleviating the "forced-to-attend" burden associated with attention mechanisms. This model is further optimized by incorporating cross-layer key-value (KV) sharing and partial sliding window attention, resulting in a compact cache size. During development, we conducted a controlled study comparing various architectures under identical settings and observed significant advantages of our proposed architecture. Notably, Hymba achieves state-of-the-art results for small LMs: Our Hymba-1.5B-Base model surpasses all sub-2B public models in performance and even outperforms Llama-3.2-3B with 1.32% higher average accuracy, an 11.67x cache size reduction, and 3.49x throughput.

Large Language Models (LLMs) often hallucinate, producing unfaithful or factually incorrect outputs by misrepresenting the provided context or incorrectly recalling internal knowledge. Recent studies have identified specific attention heads within the Transformer architecture, known as retrieval heads, responsible for extracting relevant contextual information. We hypothesise that masking these retrieval heads can induce hallucinations and that contrasting the outputs of the base LLM and the masked LLM can reduce hallucinations. To this end, we propose Decoding by Contrasting Retrieval Heads (DeCoRe), a novel training-free decoding strategy that amplifies information found in the context and model parameters. DeCoRe mitigates potentially hallucinated responses by dynamically contrasting the outputs of the base LLM and the masked LLM, using conditional entropy as a guide. Our extensive experiments confirm that DeCoRe significantly improves performance on tasks requiring high contextual faithfulness, such as summarisation (XSum by 18.6%), instruction following (MemoTrap by 10.9%), and open-book question answering (NQ-Open by 2.4% and NQ-Swap by 5.5%).

Multi-agent systems (MAS) built on large language models (LLMs) offer a promising path toward solving complex, real-world tasks that single-agent systems often struggle to manage. While recent advancements in test-time scaling (TTS) have significantly improved single-agent performance on challenging reasoning tasks, how to effectively scale collaboration and reasoning in MAS remains an open question. In this work, we introduce an adaptive multi-agent framework designed to enhance collaborative reasoning through both model-level training and system-level coordination. We construct M500, a high-quality dataset containing 500 multi-agent collaborative reasoning traces, and fine-tune Qwen2.5-32B-Instruct on this dataset to produce M1-32B, a model optimized for multi-agent collaboration. To further enable adaptive reasoning, we propose a novel CEO agent that dynamically manages the discussion process, guiding agent collaboration and adjusting reasoning depth for more effective problem-solving. Evaluated in an open-source MAS across a range of tasks-including general understanding, mathematical reasoning, and coding-our system significantly outperforms strong baselines. For instance, M1-32B achieves 12% improvement on GPQA-Diamond, 41% on AIME2024, and 10% on MBPP-Sanitized, matching the performance of state-of-the-art models like DeepSeek-R1 on some tasks. These results highlight the importance of both learned collaboration and adaptive coordination in scaling multi-agent reasoning. Code is available at https://github.com/jincan333/MAS-TTS

Long-context large language models (LLMs) are prone to be distracted by irrelevant contexts. The reason for distraction remains poorly understood. In this paper, we first identify the contextual heads, a special group of attention heads that control the overall attention of the LLM. Then, we demonstrate that distraction arises when contextual heads fail to allocate sufficient attention to relevant contexts and can be mitigated by increasing attention to these contexts. We further identify focus directions, located at the key and query activations of these heads, which enable them to allocate more attention to relevant contexts without explicitly specifying which context is relevant. We comprehensively evaluate the effect of focus direction on various long-context tasks and find out focus directions could help to mitigate the poor task alignment of the long-context LLMs. We believe our findings could promote further research on long-context LLM alignment.

The rapid advancement of scientific progress requires innovative tools that can accelerate discovery. While recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short in replicating the collaborative nature of real-world scientific practices, where diverse teams of experts work together to tackle complex problems. To address the limitation, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel and impactful scientific ideas, showing potential in aligning with key insights in the Science of Science field. Our findings suggest that integrating collaborative agents can lead to more innovative scientific outputs, offering a robust system for autonomous scientific discovery.

Large language models (LLMs) have demonstrated remarkable potential across numerous applications and have shown an emergent ability to tackle complex reasoning tasks, such as mathematical computations. However, even for the simplest arithmetic calculations, the intrinsic mechanisms behind LLMs remain mysterious, making it challenging to ensure reliability. In this work, we delve into uncovering a specific mechanism by which LLMs execute calculations. Through comprehensive experiments, we find that LLMs frequently involve a small fraction (< 5%) of attention heads, which play a pivotal role in focusing on operands and operators during calculation processes. Subsequently, the information from these operands is processed through multi-layer perceptrons (MLPs), progressively leading to the final solution. These pivotal heads/MLPs, though identified on a specific dataset, exhibit transferability across different datasets and even distinct tasks. This insight prompted us to investigate the potential benefits of selectively fine-tuning these essential heads/MLPs to boost the LLMs' computational performance. We empirically find that such precise tuning can yield notable enhancements on mathematical prowess, without compromising the performance on non-mathematical tasks. Our work serves as a preliminary exploration into the arithmetic calculation abilities inherent in LLMs, laying a solid foundation to reveal more intricate mathematical tasks.

Multi-head attention (MHA) has become the cornerstone of modern large language models, enhancing representational capacity through parallel attention heads. However, increasing the number of heads inherently weakens individual head capacity, and existing attention mechanisms - whether standard MHA or its variants like grouped-query attention (GQA) and grouped-tied attention (GTA) - simply concatenate outputs from isolated heads without strong interaction. To address this limitation, we propose knocking-heads attention (KHA), which enables attention heads to "knock" on each other - facilitating cross-head feature-level interactions before the scaled dot-product attention. This is achieved by applying a shared, diagonally-initialized projection matrix across all heads. The diagonal initialization preserves head-specific specialization at the start of training while allowing the model to progressively learn integrated cross-head representations. KHA adds only minimal parameters and FLOPs and can be seamlessly integrated into MHA, GQA, GTA, and other attention variants. We validate KHA by training a 6.1B parameter MoE model (1.01B activated) on 1T high-quality tokens. Compared to baseline attention mechanisms, KHA brings superior and more stable training dynamics, achieving better performance across downstream tasks.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

Attention heads are one of the building blocks of large language models (LLMs). Prior work on investigating their operation mostly focused on analyzing their behavior during inference for specific circuits or tasks. In this work, we seek a comprehensive mapping of the operations they implement in a model. We propose MAPS (Mapping Attention head ParameterS), an efficient framework that infers the functionality of attention heads from their parameters, without any model training or inference. We showcase the utility of MAPS for answering two types of questions: (a) given a predefined operation, mapping how strongly heads across the model implement it, and (b) given an attention head, inferring its salient functionality. Evaluating MAPS on 20 operations across 6 popular LLMs shows its estimations correlate with the head's outputs during inference and are causally linked to the model's predictions. Moreover, its mappings reveal attention heads of certain operations that were overlooked in previous studies, and valuable insights on function universality and architecture biases in LLMs. Next, we present an automatic pipeline and analysis that leverage MAPS to characterize the salient operations of a given head. Our pipeline produces plausible operation descriptions for most heads, as assessed by human judgment, while revealing diverse operations.

Multi-head self-attention (MHSA) is a key component of Transformers, a widely popular architecture in both language and vision. Multiple heads intuitively enable different parallel processes over the same input. Yet, they also obscure the attribution of each input patch to the output of a model. We propose a novel 1-head Transformer Attention Bottleneck (TAB) layer, inserted after the traditional MHSA architecture, to serve as an attention bottleneck for interpretability and intervention. Unlike standard self-attention, TAB constrains the total attention over all patches to in [0, 1]. That is, when the total attention is 0, no visual information is propagated further into the network and the vision-language model (VLM) would default to a generic, image-independent response. To demonstrate the advantages of TAB, we train VLMs with TAB to perform image difference captioning. Over three datasets, our models perform similarly to baseline VLMs in captioning but the bottleneck is superior in localizing changes and in identifying when no changes occur. TAB is the first architecture to enable users to intervene by editing attention, which often produces expected outputs by VLMs.

Transformer-based large language models (LLMs) excel in modeling complex language patterns but face significant computational costs during inference, especially with long inputs due to the attention mechanism's memory overhead. We observe that certain attention heads exhibit a distribution where the attention weights concentrate on tokens near the query token, termed as recency aware, which focuses on local and short-range dependencies. Leveraging this insight, we propose RecurFormer, a novel architecture that replaces these attention heads with linear recurrent neural networks (RNNs), specifically the Mamba architecture. This replacement reduces the cache size without evicting tokens, thus maintaining generation quality. RecurFormer retains the ability to model long-range dependencies through the remaining attention heads and allows for reusing pre-trained Transformer-based LLMs weights with continual training. Experiments demonstrate that RecurFormer matches the original model's performance while significantly enhancing inference efficiency. Our approach provides a practical solution to the computational challenges of Transformer-based LLMs inference, making it highly attractive for tasks involving long inputs.

We report the presence of a simple neural mechanism that represents an input-output function as a vector within autoregressive transformer language models (LMs). Using causal mediation analysis on a diverse range of in-context-learning (ICL) tasks, we find that a small number attention heads transport a compact representation of the demonstrated task, which we call a function vector (FV). FVs are robust to changes in context, i.e., they trigger execution of the task on inputs such as zero-shot and natural text settings that do not resemble the ICL contexts from which they are collected. We test FVs across a range of tasks, models, and layers and find strong causal effects across settings in middle layers. We investigate the internal structure of FVs and find while that they often contain information that encodes the output space of the function, this information alone is not sufficient to reconstruct an FV. Finally, we test semantic vector composition in FVs, and find that to some extent they can be summed to create vectors that trigger new complex tasks. Taken together, our findings suggest that LLMs contain internal abstractions of general-purpose functions that can be invoked in a variety of contexts.

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.

Language Models (LMs) often encounter knowledge conflicts when parametric memory contradicts contextual knowledge. Previous works attribute this conflict to the interplay between "memory heads" and "context heads", attention heads assumed to promote either memory or context exclusively. In this study, we go beyond this fundamental assumption by uncovering a critical phenomenon we term the "superposition of contextual information and parametric memory", where highly influential attention heads could simultaneously contribute to both memory and context. Building upon this insight, we propose Just Run Twice (JUICE), a test-time attention intervention method that steers LMs toward either parametric beliefs or contextual knowledge without requiring fine-tuning. JUICE identifies a set of reliable attention heads and leverages a dual-run approach to mitigate the superposition effects. Extensive experiments across 11 datasets and 6 model architectures demonstrate that JUICE sets the new state-of-the-art performance and robust generalization, achieving significant and consistent improvement across different domains under various conflict types. Finally, we theoretically analyze knowledge conflict and the superposition of contextual information and parametric memory in attention heads, which further elucidates the effectiveness of JUICE in these settings.

Multi-head attentive neural architectures have achieved state-of-the-art results on a variety of natural language processing tasks. Evidence has shown that they are overparameterized; attention heads can be pruned without significant performance loss. In this work, we instead "reallocate" them -- the model learns to activate different heads on different inputs. Drawing connections between multi-head attention and mixture of experts, we propose the mixture of attentive experts model (MAE). MAE is trained using a block coordinate descent algorithm that alternates between updating (1) the responsibilities of the experts and (2) their parameters. Experiments on machine translation and language modeling show that MAE outperforms strong baselines on both tasks. Particularly, on the WMT14 English to German translation dataset, MAE improves over "transformer-base" by 0.8 BLEU, with a comparable number of parameters. Our analysis shows that our model learns to specialize different experts to different inputs.

Identifying which text spans refer to entities -- mention detection -- is both foundational for information extraction and a known performance bottleneck. We introduce ToMMeR, a lightweight model (<300K parameters) probing mention detection capabilities from early LLM layers. Across 13 NER benchmarks, ToMMeR achieves 93\% recall zero-shot, with over 90\% precision using an LLM as a judge showing that ToMMeR rarely produces spurious predictions despite high recall. Cross-model analysis reveals that diverse architectures (14M-15B parameters) converge on similar mention boundaries (DICE >75\%), confirming that mention detection emerges naturally from language modeling. When extended with span classification heads, ToMMeR achieves near SOTA NER performance (80-87\% F1 on standard benchmarks). Our work provides evidence that structured entity representations exist in early transformer layers and can be efficiently recovered with minimal parameters.

The advent of pre-trained large language models (LLMs) has revolutionized various natural language processing tasks. These models predominantly employ an auto-regressive decoding mechanism that utilizes Key-Value (KV) caches to eliminate redundant calculations for previous tokens. Nevertheless, as context lengths and batch sizes increase, the linear expansion in memory footprint of KV caches becomes a key bottleneck of LLM deployment, which decreases generation speeds significantly. To mitigate this issue, previous techniques like multi-query attention (MQA) and grouped-query attention (GQA) have been developed, in order to reduce KV heads to accelerate inference with comparable accuracy to multi-head attention (MHA). Despite their effectiveness, existing strategies for compressing MHA often overlook the intrinsic properties of the KV caches. In this work, we explore the low-rank characteristics of the KV caches and propose a novel approach for compressing KV heads. In particular, we carefully optimize the MHA-to-GQA transformation to minimize compression error, and to remain compatible with rotary position embeddings (RoPE), we also introduce specialized strategies for key caches with RoPE. We demonstrate that our method can compress half or even three-quarters of KV heads while maintaining performance comparable to the original LLMs, which presents a promising direction for more efficient LLM deployment in resource-constrained environments.

Large Vision-Language Models (LVLMs) have demonstrated impressive multimodal abilities but remain prone to multilingual object hallucination, with a higher likelihood of generating responses inconsistent with the visual input when utilizing queries in non-English languages compared to English. Most existing approaches to address these rely on pretraining or fine-tuning, which are resource-intensive. In this paper, inspired by observing the disparities in cross-modal attention patterns across languages, we propose Cross-Lingual Attention Intervention for Mitigating multilingual object hallucination (CLAIM) in LVLMs, a novel near training-free method by aligning attention patterns. CLAIM first identifies language-specific cross-modal attention heads, then estimates language shift vectors from English to the target language, and finally intervenes in the attention outputs during inference to facilitate cross-lingual visual perception capability alignment. Extensive experiments demonstrate that CLAIM achieves an average improvement of 13.56% (up to 30% in Spanish) on the POPE and 21.75% on the hallucination subsets of the MME benchmark across various languages. Further analysis reveals that multilingual attention divergence is most prominent in intermediate layers, highlighting their critical role in multilingual scenarios.

Ensuring consistent safety across multiple languages remains a significant challenge for large language models (LLMs). We introduce Soteria, a lightweight yet powerful strategy that locates and minimally adjusts the "functional heads" most responsible for harmful content generation in each language. By altering only a fraction of parameters, Soteria drastically reduces policy violations without sacrificing overall model performance, even in low-resource settings. To rigorously evaluate our approach, we also present XThreatBench, a specialized multilingual dataset capturing fine-grained harmful behaviors drawn from real policy guidelines. Experiments with leading open-source LLMs (e.g., Llama, Qwen, Mistral) show that Soteria consistently improves safety metrics across high-, mid-, and low-resource languages. These findings highlight a promising path toward scalable, linguistically attuned, and ethically aligned LLMs worldwide.

In this paper, I introduce the retrieval problem, a simple reasoning task that can be solved only by transformers with a minimum number of layers. The task has an adjustable difficulty that can further increase the required number of layers to any arbitrary value. I demonstrate that large language models can solve the task under different prompting formulations without any fine-tuning. To understand how transformers solve the retrieval problem, I train several transformers on a minimal formulation. I find that successful learning occurs only under the presence of an implicit curriculum. I uncover the learned mechanisms by studying the attention maps in the trained transformers. I also study the training process, uncovering that attention heads always emerge in a specific sequence.

Key-Value (KV) caching is a common technique to enhance the computational efficiency of Large Language Models (LLMs), but its memory overhead grows rapidly with input length. Prior work has shown that not all tokens are equally important for text generation, proposing layer-level KV cache compression to selectively retain key information. Recognizing the distinct roles of attention heads in generation, we propose HeadKV, a head-level KV cache compression method, and HeadKV-R2, which leverages a novel contextual reasoning ability estimation for compression. Our approach operates at the level of individual heads, estimating their importance for contextual QA tasks that require both retrieval and reasoning capabilities. Extensive experiments across diverse benchmarks (LongBench, LooGLE), model architectures (e.g., Llama-3-8B-Instruct, Mistral-7B-Instruct), and long-context abilities tests demonstrate that our head-level KV cache compression significantly outperforms strong baselines, particularly in low-resource settings (KV size = 64 & 128). Notably, our method retains just 1.5% of the KV cache while achieving 97% of the performance of the full KV cache on the contextual question answering benchmark.

Large language models (LLMs) have shown remarkable advances in supporting long-context comprehension and processing tasks. However, scaling the generation inference of LLMs to such long contexts incurs significant additional computation load, and demands a substantial GPU memory footprint to maintain the key-value (KV) cache of transformer-based LLMs. Existing KV cache compression methods, such as quantization, face memory bottlenecks as context length increases, while static-sized caches, such as eviction, suffer from inefficient policies. These limitations restrict deployment on consumer-grade devices like a single Nvidia 4090 GPU. To overcome this, we propose Locret, a framework for long-context LLM inference that introduces retaining heads to evaluate the causal importance of KV cache units, allowing for more accurate eviction within a fixed cache size. Locret is fine-tuned on top of the frozen backbone LLM using a minimal amount of data from standard long-context SFT datasets. During inference, we evict low-importance cache units along with a chunked prefill pattern, significantly reducing peak GPU memory usage. We conduct an extensive empirical study to evaluate Locret, where the experimental results show that Locret outperforms the recent competitive approaches, including InfLLM, Quantization, SirLLM, and MInference, in terms of memory efficiency and the quality of generated contents -- Locret achieves over a 20x and 8x KV cache compression ratio compared to the full KV cache for Phi-3-mini-128K and Llama-3.1-8B-instruct. Additionally, Locret can be combined with other methods, such as quantization and token merging. To our knowledge, Locret is the first framework capable of deploying Llama-3.1-8B or similar models on a single Nvidia 4090 GPU, enabling 128K long-context inference without compromising generation quality, and requiring little additional system optimizations.

Large language models (LLMs) such as GPT-4 sometimes appear to be creative, solving novel tasks often with a few demonstrations in the prompt. These tasks require the models to generalize on distributions different from those from training data -- which is known as out-of-distribution (OOD) generalization. Despite the tremendous success of LLMs, how they approach OOD generalization remains an open and underexplored question. We examine OOD generalization in settings where instances are generated according to hidden rules, including in-context learning with symbolic reasoning. Models are required to infer the hidden rules behind input prompts without any fine-tuning. We empirically examined the training dynamics of Transformers on a synthetic example and conducted extensive experiments on a variety of pretrained LLMs, focusing on a type of components known as induction heads. We found that OOD generalization and composition are tied together -- models can learn rules by composing two self-attention layers, thereby achieving OOD generalization. Furthermore, a shared latent subspace in the embedding (or feature) space acts as a bridge for composition by aligning early layers and later layers, which we refer to as the common bridge representation hypothesis.

Large Language Models (LLMs) exhibit high inference latency due to their autoregressive decoding nature. While the draft head in speculative decoding mitigates this issue, its full potential remains unexplored. In this paper, we introduce KOALA (K-layer Optimized Adversarial Learning Architecture), an orthogonal approach to the draft head. By transforming the conventional single-layer draft head into a multi-layer architecture and incorporating adversarial learning into the traditional supervised training, KOALA significantly improves the accuracy of the draft head in predicting subsequent tokens, thus more closely mirroring the functionality of LLMs. Although this improvement comes at the cost of slightly increased drafting overhead, KOALA substantially unlocks the draft head's potential, greatly enhancing speculative decoding. We conducted comprehensive evaluations of KOALA, including both autoregressive and non-autoregressive draft heads across various tasks, demonstrating a latency speedup ratio improvement of 0.24x-0.41x, which is 10.57%-14.09% faster than the original draft heads.

Large Language Models (LLMs) inherently use autoregressive decoding, which lacks parallelism in inference and results in significantly slow inference speeds, especially when hardware parallel accelerators and memory bandwidth are not fully utilized. In this work, we propose Amphista, a speculative decoding algorithm that adheres to a non-autoregressive decoding paradigm. Owing to the increased parallelism, our method demonstrates higher efficiency in inference compared to autoregressive methods. Specifically, Amphista models an Auto-embedding Block capable of parallel inference, incorporating bi-directional attention to enable interaction between different drafting heads. Additionally, Amphista implements Staged Adaptation Layers to facilitate the transition of semantic information from the base model's autoregressive inference to the drafting heads' non-autoregressive speculation, thereby achieving paradigm transformation and feature fusion. We conduct a series of experiments on a suite of Vicuna models using MT-Bench and Spec-Bench. For the Vicuna 33B model, Amphista achieves up to 2.75times and 1.40times wall-clock acceleration compared to vanilla autoregressive decoding and Medusa, respectively, while preserving lossless generation quality.

Large language models (LLMs) with billions of parameters demonstrate impressive performance. However, the widely used Multi-Head Attention (MHA) in LLMs incurs substantial computational and memory costs during inference. While some efforts have optimized attention mechanisms by pruning heads or sharing parameters among heads, these methods often lead to performance degradation or necessitate substantial continued pre-training costs to restore performance. Based on the analysis of attention redundancy, we design a Decoupled-Head Attention (DHA) mechanism. DHA adaptively configures group sharing for key heads and value heads across various layers, achieving a better balance between performance and efficiency. Inspired by the observation of clustering similar heads, we propose to progressively transform the MHA checkpoint into the DHA model through linear fusion of similar head parameters step by step, retaining the parametric knowledge of the MHA checkpoint. We construct DHA models by transforming various scales of MHA checkpoints given target head budgets. Our experiments show that DHA remarkably requires a mere 0.25\% of the original model's pre-training budgets to achieve 97.6\% of performance while saving 75\% of KV cache. Compared to Group-Query Attention (GQA), DHA achieves a 5times training acceleration, a maximum of 13.93\% performance improvement under 0.01\% pre-training budget, and 4\% relative improvement under 0.05\% pre-training budget.

In this paper, we delve into several mechanisms employed by Transformer-based language models (LLMs) for factual recall tasks. We outline a pipeline consisting of three major steps: (1) Given a prompt ``The capital of France is,'' task-specific attention heads extract the topic token, such as ``France,'' from the context and pass it to subsequent MLPs. (2) As attention heads' outputs are aggregated with equal weight and added to the residual stream, the subsequent MLP acts as an ``activation,'' which either erases or amplifies the information originating from individual heads. As a result, the topic token ``France'' stands out in the residual stream. (3) A deep MLP takes ``France'' and generates a component that redirects the residual stream towards the direction of the correct answer, i.e., ``Paris.'' This procedure is akin to applying an implicit function such as ``get\_capital(X),'' and the argument X is the topic token information passed by attention heads. To achieve the above quantitative and qualitative analysis for MLPs, we proposed a novel analytic method aimed at decomposing the outputs of the MLP into components understandable by humans. Additionally, we observed a universal anti-overconfidence mechanism in the final layer of models, which suppresses correct predictions. We mitigate this suppression by leveraging our interpretation to improve factual recall confidence. The above interpretations are evaluated across diverse tasks spanning various domains of factual knowledge, using various language models from the GPT-2 families, 1.3B OPT, up to 7B Llama-2, and in both zero- and few-shot setups.

Recent work in mechanistic interpretability has shown that behaviors in language models can be successfully reverse-engineered through circuit analysis. A common criticism, however, is that each circuit is task-specific, and thus such analysis cannot contribute to understanding the models at a higher level. In this work, we present evidence that insights (both low-level findings about specific heads and higher-level findings about general algorithms) can indeed generalize across tasks. Specifically, we study the circuit discovered in Wang et al. (2022) for the Indirect Object Identification (IOI) task and 1.) show that it reproduces on a larger GPT2 model, and 2.) that it is mostly reused to solve a seemingly different task: Colored Objects (Ippolito & Callison-Burch, 2023). We provide evidence that the process underlying both tasks is functionally very similar, and contains about a 78% overlap in in-circuit attention heads. We further present a proof-of-concept intervention experiment, in which we adjust four attention heads in middle layers in order to 'repair' the Colored Objects circuit and make it behave like the IOI circuit. In doing so, we boost accuracy from 49.6% to 93.7% on the Colored Objects task and explain most sources of error. The intervention affects downstream attention heads in specific ways predicted by their interactions in the IOI circuit, indicating that this subcircuit behavior is invariant to the different task inputs. Overall, our results provide evidence that it may yet be possible to explain large language models' behavior in terms of a relatively small number of interpretable task-general algorithmic building blocks and computational components.

The inference process in Large Language Models (LLMs) is often limited due to the absence of parallelism in the auto-regressive decoding process, resulting in most operations being restricted by the memory bandwidth of accelerators. While methods such as speculative decoding have been suggested to address this issue, their implementation is impeded by the challenges associated with acquiring and maintaining a separate draft model. In this paper, we present Medusa, an efficient method that augments LLM inference by adding extra decoding heads to predict multiple subsequent tokens in parallel. Using a tree-based attention mechanism, Medusa constructs multiple candidate continuations and verifies them simultaneously in each decoding step. By leveraging parallel processing, Medusa introduces only minimal overhead in terms of single-step latency while substantially reducing the number of decoding steps required. We present two levels of fine-tuning procedures for Medusa to meet the needs of different use cases: Medusa-1: Medusa is directly fine-tuned on top of a frozen backbone LLM, enabling lossless inference acceleration. Medusa-2: Medusa is fine-tuned together with the backbone LLM, enabling better prediction accuracy of Medusa heads and higher speedup but needing a special training recipe that preserves the backbone model's capabilities. Moreover, we propose several extensions that improve or expand the utility of Medusa, including a self-distillation to handle situations where no training data is available and a typical acceptance scheme to boost the acceptance rate while maintaining generation quality. We evaluate Medusa on models of various sizes and training procedures. Our experiments demonstrate that Medusa-1 can achieve over 2.2x speedup without compromising generation quality, while Medusa-2 further improves the speedup to 2.3-3.6x.

Deploying long-context large language models (LLMs) is essential but poses significant computational and memory challenges. Caching all Key and Value (KV) states across all attention heads consumes substantial memory. Existing KV cache pruning methods either damage the long-context capabilities of LLMs or offer only limited efficiency improvements. In this paper, we identify that only a fraction of attention heads, a.k.a, Retrieval Heads, are critical for processing long contexts and require full attention across all tokens. In contrast, all other heads, which primarily focus on recent tokens and attention sinks--referred to as Streaming Heads--do not require full attention. Based on this insight, we introduce DuoAttention, a framework that only applies a full KV cache to retrieval heads while using a light-weight, constant-length KV cache for streaming heads, which reduces both LLM's decoding and pre-filling memory and latency without compromising its long-context abilities. DuoAttention uses a lightweight, optimization-based algorithm with synthetic data to identify retrieval heads accurately. Our method significantly reduces long-context inference memory by up to 2.55x for MHA and 1.67x for GQA models while speeding up decoding by up to 2.18x and 1.50x and accelerating pre-filling by up to 1.73x and 1.63x for MHA and GQA models, respectively, with minimal accuracy loss compared to full attention. Notably, combined with quantization, DuoAttention enables Llama-3-8B decoding with 3.3 million context length on a single A100 GPU. Code is provided in https://github.com/mit-han-lab/duo-attention.

Large-scale neural language models exhibit a remarkable capacity for in-context learning (ICL): they can infer novel functions from datasets provided as input. Most of our current understanding of when and how ICL arises comes from LMs trained on extremely simple learning problems like linear regression and associative recall. There remains a significant gap between these model problems and the "real" ICL exhibited by LMs trained on large text corpora, which involves not just retrieval and function approximation but free-form generation of language and other structured outputs. In this paper, we study ICL through the lens of a new family of model problems we term in context language learning (ICLL). In ICLL, LMs are presented with a set of strings from a formal language, and must generate additional strings from the same language. We focus on in-context learning of regular languages generated by random finite automata. We evaluate a diverse set of neural sequence models (including several RNNs, Transformers, and state-space model variants) on regular ICLL tasks, aiming to answer three questions: (1) Which model classes are empirically capable of ICLL? (2) What algorithmic solutions do successful models implement to perform ICLL? (3) What architectural changes can improve ICLL in less performant models? We first show that Transformers significantly outperform neural sequence models with recurrent or convolutional representations on ICLL tasks. Next, we provide evidence that their ability to do so relies on specialized "n-gram heads" (higher-order variants of induction heads) that compute input-conditional next-token distributions. Finally, we show that hard-wiring these heads into neural models improves performance not just on ICLL, but natural language modeling -- improving the perplexity of 340M-parameter models by up to 1.14 points (6.7%) on the SlimPajama dataset.

Practitioners have consistently observed three puzzling phenomena in transformer-based large language models (LLMs): attention sinks, value-state drains, and residual-state peaks, collectively referred to as extreme-token phenomena. These phenomena are characterized by certain so-called "sink tokens" receiving disproportionately high attention weights, exhibiting significantly smaller value states, and having much larger residual-state norms than those of other tokens. These extreme tokens give rise to various challenges in LLM inference, quantization, and interpretability. We elucidate the mechanisms behind extreme-token phenomena. First, we show that these phenomena arise in very simple architectures -- transformers with one to three layers -- trained on a toy model, the Bigram-Backcopy (BB) task. In this setting, we identify an active-dormant mechanism, where attention heads become sinks for specific input domains while remaining non-sinks for others. Our theoretical analysis of the training dynamics reveals that these phenomena are driven by a mutual reinforcement mechanism. Building on these insights, we propose strategies to mitigate extreme-token phenomena during pretraining, including replacing softmax with ReLU and Adam with SGD. Next, we extend our analysis to pretrained LLMs, including Llama and OLMo, showing that many attention heads exhibit a similar active-dormant mechanism as in the BB task, and that the mutual reinforcement mechanism also governs the emergence of extreme-token phenomena during LLM pretraining. Our results reveal that many of the static and dynamic properties of extreme-token phenomena predicted by the BB task align with observations in pretrained LLMs.

Commonsense reasoning is one of the key problems in natural language processing, but the relative scarcity of labeled data holds back the progress for languages other than English. Pretrained cross-lingual models are a source of powerful language-agnostic representations, yet their inherent reasoning capabilities are still actively studied. In this work, we design a simple approach to commonsense reasoning which trains a linear classifier with weights of multi-head attention as features. To evaluate this approach, we create a multilingual Winograd Schema corpus by processing several datasets from prior work within a standardized pipeline and measure cross-lingual generalization ability in terms of out-of-sample performance. The method performs competitively with recent supervised and unsupervised approaches for commonsense reasoning, even when applied to other languages in a zero-shot manner. Also, we demonstrate that most of the performance is given by the same small subset of attention heads for all studied languages, which provides evidence of universal reasoning capabilities in multilingual encoders.

Recent studies show that the attention heads in Transformer are not equal. We relate this phenomenon to the imbalance training of multi-head attention and the model dependence on specific heads. To tackle this problem, we propose a simple masking method: HeadMask, in two specific ways. Experiments show that translation improvements are achieved on multiple language pairs. Subsequent empirical analyses also support our assumption and confirm the effectiveness of the method.

Deep learning drives a new wave in computing systems and triggers the automation of increasingly complex problems. In particular, Large Language Models (LLMs) have significantly advanced cognitive tasks, often matching or even surpassing human-level performance. However, their extensive parameters result in high computational costs and slow inference, posing challenges for deployment in resource-limited settings. Among the strategies to overcome the aforementioned challenges, pruning emerges as a successful mechanism since it reduces model size while maintaining predictive ability. In this paper, we introduce AMP: Attention Heads and MLP Pruning, a novel structured pruning method that efficiently compresses LLMs by removing less critical structures within Multi-Head Attention (MHA) and Multilayer Perceptron (MLP). By projecting the input data onto weights, AMP assesses structural importance and overcomes the limitations of existing techniques, which often fall short in flexibility or efficiency. In particular, AMP surpasses the current state-of-the-art on commonsense reasoning tasks by up to 1.49 percentage points, achieving a 30% pruning ratio with minimal impact on zero-shot task performance. Moreover, AMP also improves inference speeds, making it well-suited for deployment in resource-constrained environments. We confirm the flexibility of AMP on different families of LLMs, including LLaMA and Phi.

We find arithmetic ability resides within a limited number of attention heads, with each head specializing in distinct operations. To delve into the reason, we introduce the Comparative Neuron Analysis (CNA) method, which identifies an internal logic chain consisting of four distinct stages from input to prediction: feature enhancing with shallow FFN neurons, feature transferring by shallow attention layers, feature predicting by arithmetic heads, and prediction enhancing among deep FFN neurons. Moreover, we identify the human-interpretable FFN neurons within both feature-enhancing and feature-predicting stages. These findings lead us to investigate the mechanism of LoRA, revealing that it enhances prediction probabilities by amplifying the coefficient scores of FFN neurons related to predictions. Finally, we apply our method in model pruning for arithmetic tasks and model editing for reducing gender bias. Code is on https://github.com/zepingyu0512/arithmetic-mechanism.

Recent advances in Language Models have enabled the protein modeling community with a powerful tool since protein sequences can be represented as text. Specifically, by taking advantage of Transformers, sequence-to-property prediction will be amenable without the need for explicit structural data. In this work, inspired by recent progress in Large Language Models (LLMs), we introduce PeptideBERT, a protein language model for predicting three key properties of peptides (hemolysis, solubility, and non-fouling). The PeptideBert utilizes the ProtBERT pretrained transformer model with 12 attention heads and 12 hidden layers. We then finetuned the pretrained model for the three downstream tasks. Our model has achieved state of the art (SOTA) for predicting Hemolysis, which is a task for determining peptide's potential to induce red blood cell lysis. Our PeptideBert non-fouling model also achieved remarkable accuracy in predicting peptide's capacity to resist non-specific interactions. This model, trained predominantly on shorter sequences, benefits from the dataset where negative examples are largely associated with insoluble peptides. Codes, models, and data used in this study are freely available at: https://github.com/ChakradharG/PeptideBERT

The "end-to-end" label for LLMs is a misnomer. In practice, they depend on a non-differentiable decoding process that requires laborious, hand-tuning of hyperparameters like temperature and top-p. This paper introduces AutoDeco, a novel architecture that enables truly "end-to-end" generation by learning to control its own decoding strategy. We augment the standard transformer with lightweight heads that, at each step, dynamically predict context-specific temperature and top-p values alongside the next-token logits. This approach transforms decoding into a parametric, token-level process, allowing the model to self-regulate its sampling strategy within a single forward pass. Through extensive experiments on eight benchmarks, we demonstrate that AutoDeco not only significantly outperforms default decoding strategies but also achieves performance comparable to an oracle-tuned baseline derived from "hacking the test set"-a practical upper bound for any static method. Crucially, we uncover an emergent capability for instruction-based decoding control: the model learns to interpret natural language commands (e.g., "generate with low randomness") and adjusts its predicted temperature and top-p on a token-by-token basis, opening a new paradigm for steerable and interactive LLM decoding.

Vision-language models (VLMs) have achieved remarkable success across diverse tasks by leveraging rich textual information with minimal labeled data. However, deploying such large models remains challenging, particularly in resource-constrained environments. Knowledge distillation (KD) offers a well-established solution to this problem; however, recent KD approaches from VLMs often involve multi-stage training or additional tuning, increasing computational overhead and optimization complexity. In this paper, we propose texttt{D}ual-texttt{H}ead texttt{O}ptimization (texttt{DHO}) -- a simple yet effective KD framework that transfers knowledge from VLMs to compact, task-specific models in semi-supervised settings. Specifically, we introduce dual prediction heads that independently learn from labeled data and teacher predictions, and propose to linearly combine their outputs during inference. We observe that DHO mitigates gradient conflicts between supervised and distillation signals, enabling more effective feature learning than single-head KD baselines. As a result, extensive experiments show that DHO consistently outperforms baselines across multiple domains and fine-grained datasets. Notably, on ImageNet, it achieves state-of-the-art performance, improving accuracy by 3% and 0.1% with 1% and 10% labeled data, respectively, while using fewer parameters.

Current multimodal large language models (MLLMs) struggle with fine-grained or precise understanding of visuals though they give comprehensive perception and reasoning in a spectrum of vision applications. Recent studies either develop tool-using or unify specific visual tasks into the autoregressive framework, often at the expense of overall multimodal performance. To address this issue and enhance MLLMs with visual tasks in a scalable fashion, we propose Task Preference Optimization (TPO), a novel method that utilizes differentiable task preferences derived from typical fine-grained visual tasks. TPO introduces learnable task tokens that establish connections between multiple task-specific heads and the MLLM. By leveraging rich visual labels during training, TPO significantly enhances the MLLM's multimodal capabilities and task-specific performance. Through multi-task co-training within TPO, we observe synergistic benefits that elevate individual task performance beyond what is achievable through single-task training methodologies. Our instantiation of this approach with VideoChat and LLaVA demonstrates an overall 14.6% improvement in multimodal performance compared to baseline models. Additionally, MLLM-TPO demonstrates robust zero-shot capabilities across various tasks, performing comparably to state-of-the-art supervised models. The code will be released at https://github.com/OpenGVLab/TPO

Transformer models have been widely adopted in various domains over the last years, and especially large language models have advanced the field of AI significantly. Due to their size, the capability of these networks has increased tremendously, but this has come at the cost of a significant increase in necessary compute. Quantization is one of the most effective ways to reduce the computational time and memory consumption of neural networks. Many studies have shown, however, that modern transformer models tend to learn strong outliers in their activations, making them difficult to quantize. To retain acceptable performance, the existence of these outliers requires activations to be in higher bitwidth or the use of different numeric formats, extra fine-tuning, or other workarounds. We show that strong outliers are related to very specific behavior of attention heads that try to learn a "no-op" or just a partial update of the residual. To achieve the exact zeros needed in the attention matrix for a no-update, the input to the softmax is pushed to be larger and larger during training, causing outliers in other parts of the network. Based on these observations, we propose two simple (independent) modifications to the attention mechanism - clipped softmax and gated attention. We empirically show that models pre-trained using our methods learn significantly smaller outliers while maintaining and sometimes even improving the floating-point task performance. This enables us to quantize transformers to full INT8 quantization of the activations without any additional effort. We demonstrate the effectiveness of our methods on both language models (BERT, OPT) and vision transformers.

Large language models exhibit remarkable performance across diverse tasks through pre-training and fine-tuning paradigms. However, continual fine-tuning on sequential tasks induces catastrophic forgetting, where newly acquired knowledge interferes with previously learned capabilities. Despite widespread observations of this phenomenon, the mechanistic understanding remains limited. Here, we present a comprehensive mechanistic analysis of catastrophic forgetting in transformer-based LLMs during sequential fine-tuning. Through systematic experiments across multiple model scales (109B to 400B total parameters) and task sequences, we identify three primary mechanisms driving forgetting: gradient interference in attention weights, representational drift in intermediate layers, and loss landscape flattening. We demonstrate that forgetting severity correlates strongly with task similarity (Pearson r = 0.87) and gradient alignment metrics. Our analysis reveals that approximately 15 to 23 percent of attention heads undergo severe disruption during fine-tuning, with lower layers showing greater susceptibility. These findings establish mechanistic foundations for developing targeted mitigation strategies in continual learning systems.

The quadratic complexity of attention mechanisms limits the efficiency of Large Language Models (LLMs) on long-text tasks. Recently, methods that dynamically estimate block importance have enabled efficient block sparse attention, leading to significant acceleration in long-text pre-filling of LLMs. However, their coarse-grained estimation inevitably leads to performance degradation at high sparsity rates. In this work, we propose ProxyAttn, a training-free sparse attention algorithm that achieves more precise block estimation by compressing the dimension of attention heads. Based on our observation of the similarity among multiple attention heads, we use the scores of pooled representative heads to approximate the scores for all heads. To account for the varying sparsity among heads, we also propose a block-aware dynamic budget estimation method. By combining the scores from representative proxy heads with multi-head dynamic budgets, we achieve a more fine-grained block importance evaluation at low computational cost. Experiments on a variety of mainstream models and extensive benchmarks confirm the underlying similarity among attention heads. Leveraging a fine-grained estimation, the proposed method achieves substantial gains in performance and efficiency compared to existing methods. More precisely, ProxyAttn can achieve up to 10.3x attention acceleration and 2.4x prefilling acceleration without significant performance loss. Our code is available at https://github.com/wyxstriker/ProxyAttn.

Although applications involving long-context inputs are crucial for the effective utilization of large language models (LLMs), they also result in increased computational costs and reduced performance. To address this challenge, we propose an efficient, training-free prompt compression method that retains key information within compressed prompts. We identify specific attention heads in transformer-based LLMs, which we designate as evaluator heads, that are capable of selecting tokens in long inputs that are most significant for inference. Building on this discovery, we develop EHPC, an Evaluator Head-based Prompt Compression method, which enables LLMs to rapidly "skim through" input prompts by leveraging only the first few layers with evaluator heads during the pre-filling stage, subsequently passing only the important tokens to the model for inference. EHPC achieves state-of-the-art results across two mainstream benchmarks: prompt compression and long-context inference acceleration. Consequently, it effectively reduces the complexity and costs associated with commercial API calls. We further demonstrate that EHPC attains competitive results compared to key-value cache-based acceleration methods, thereby highlighting its potential to enhance the efficiency of LLMs for long-context tasks.

Large Language Models (LLMs) suffer from huge number of parameters, which restricts their deployment on edge devices. Weight sharing is one promising solution that encourages weight reuse, effectively reducing memory usage with less performance drop. However, current weight sharing techniques primarily focus on small-scale models like BERT and employ coarse-grained sharing rules, e.g., layer-wise. This becomes limiting given the prevalence of LLMs and sharing an entire layer or block obviously diminishes the flexibility of weight sharing. In this paper, we present a perspective on $textbf{head-wise shareable attention for large language models}. We further propose two memory-efficient methods that share parameters across attention heads, with a specific focus on LLMs. Both of them use the same dynamic strategy to select the shared weight matrices. The first method directly reuses the pre-trained weights without retraining, denoted as DirectShare. The second method first post-trains with constraint on weight matrix similarity and then shares, denoted as PostShare$. Experimental results reveal our head-wise shared models still maintain satisfactory capabilities, demonstrating the feasibility of fine-grained weight sharing applied to LLMs.

Recent advances in causal interpretability have extended from language models to vision-language models (VLMs), seeking to reveal their internal mechanisms through input interventions. While textual interventions often target semantics, visual interventions typically rely on coarse pixel-level perturbations, limiting semantic insights on multimodal integration. In this study, we introduce V-SEAM, a novel framework that combines Visual Semantic Editing and Attention Modulating for causal interpretation of VLMs. V-SEAM enables concept-level visual manipulations and identifies attention heads with positive or negative contributions to predictions across three semantic levels: objects, attributes, and relationships. We observe that positive heads are often shared within the same semantic level but vary across levels, while negative heads tend to generalize broadly. Finally, we introduce an automatic method to modulate key head embeddings, demonstrating enhanced performance for both LLaVA and InstructBLIP across three diverse VQA benchmarks. Our data and code are released at: https://github.com/petergit1/V-SEAM.

Current safety alignment for large language models(LLMs) continues to present vulnerabilities, given that adversarial prompting can effectively bypass their safety measures.Our investigation shows that these safety mechanisms predominantly depend on a limited subset of attention heads: removing or ablating these heads can severely compromise model safety. To identify and evaluate these safety-critical components, we introduce RDSHA, a targeted ablation method that leverages the model's refusal direction to pinpoint attention heads mostly responsible for safety behaviors. Further analysis shows that existing jailbreak attacks exploit this concentration by selectively bypassing or manipulating these critical attention heads. To address this issue, we propose AHD, a novel training strategy designed to promote the distributed encoding of safety-related behaviors across numerous attention heads. Experimental results demonstrate that AHD successfully distributes safety-related capabilities across more attention heads. Moreover, evaluations under several mainstream jailbreak attacks show that models trained with AHD exhibit considerably stronger safety robustness, while maintaining overall functional utility.

We present causal head gating (CHG), a scalable method for interpreting the functional roles of attention heads in transformer models. CHG learns soft gates over heads and assigns them a causal taxonomy - facilitating, interfering, or irrelevant - based on their impact on task performance. Unlike prior approaches in mechanistic interpretability, which are hypothesis-driven and require prompt templates or target labels, CHG applies directly to any dataset using standard next-token prediction. We evaluate CHG across multiple large language models (LLMs) in the Llama 3 model family and diverse tasks, including syntax, commonsense, and mathematical reasoning, and show that CHG scores yield causal, not merely correlational, insight validated via ablation and causal mediation analyses. We also introduce contrastive CHG, a variant that isolates sub-circuits for specific task components. Our findings reveal that LLMs contain multiple sparse task-sufficient sub-circuits, that individual head roles depend on interactions with others (low modularity), and that instruction following and in-context learning rely on separable mechanisms.

Capturing symmetric (e.g., country borders another country) and antisymmetric (e.g., parent_of) relations is crucial for a variety of applications. This paper tackles this challenge by introducing a novel Wikidata-derived natural language inference dataset designed to evaluate large language models (LLMs). Our findings reveal that LLMs perform comparably to random chance on this benchmark, highlighting a gap in relational understanding. To address this, we explore encoder retraining via contrastive learning with k-nearest neighbors. The retrained encoder matches the performance of fine-tuned classification heads while offering additional benefits, including greater efficiency in few-shot learning and improved mitigation of catastrophic forgetting.

Steering the behavior of Large Language Models (LLMs) remains a challenge, particularly in engineering applications where precision and reliability are critical. While fine-tuning and prompting methods can modify model behavior, they lack the dynamic and exact control necessary for engineering applications. Inference-time intervention techniques provide a promising alternative, allowing targeted adjustments to LLM outputs. In this work, we demonstrate how interventions enable fine-grained control for automating the usually time-intensive requirement verification process in Model-Based Systems Engineering (MBSE). Using two early-stage Capella SysML models of space missions with associated requirements, we apply the intervened LLMs to reason over a graph representation of the model to determine whether a requirement is fulfilled. Our method achieves robust and reliable outputs, significantly improving over both a baseline model and a fine-tuning approach. By identifying and modifying as few as one to three specialised attention heads, we can significantly change the model's behavior. When combined with self-consistency, this allows us to achieve perfect precision on our holdout test set.

Large Language Models (LLMs) often generate hallucinations, producing outputs that are contextually inaccurate or factually incorrect. We introduce HICD, a novel method designed to induce hallucinations for contrastive decoding to mitigate hallucinations. Unlike existing contrastive decoding methods, HICD selects attention heads crucial to the model's prediction as inducing heads, then induces hallucinations by dispersing attention of these inducing heads and compares the hallucinated outputs with the original outputs to obtain the final result. Our approach significantly improves performance on tasks requiring contextual faithfulness, such as context completion, reading comprehension, and question answering. It also improves factuality in tasks requiring accurate knowledge recall. We demonstrate that our inducing heads selection and attention dispersion method leads to more "contrast-effective" hallucinations for contrastive decoding, outperforming other hallucination-inducing methods. Our findings provide a promising strategy for reducing hallucinations by inducing hallucinations in a controlled manner, enhancing the performance of LLMs in a wide range of tasks.

The memory and computational demands of Key-Value (KV) cache present significant challenges for deploying long-context language models. Previous approaches attempt to mitigate this issue by selectively dropping tokens, which irreversibly erases critical information that might be needed for future queries. In this paper, we propose a novel compression technique for KV cache that preserves all token information. Our investigation reveals that: i) Most attention heads primarily focus on the local context; ii) Only a few heads, denoted as retrieval heads, can essentially pay attention to all input tokens. These key observations motivate us to use separate caching strategy for attention heads. Therefore, we propose RazorAttention, a training-free KV cache compression algorithm, which maintains a full cache for these crucial retrieval heads and discards the remote tokens in non-retrieval heads. Furthermore, we introduce a novel mechanism involving a "compensation token" to further recover the information in the dropped tokens. Extensive evaluations across a diverse set of large language models (LLMs) demonstrate that RazorAttention achieves a reduction in KV cache size by over 70% without noticeable impacts on performance. Additionally, RazorAttention is compatible with FlashAttention, rendering it an efficient and plug-and-play solution that enhances LLM inference efficiency without overhead or retraining of the original model.

Large Language Models (LLMs) have shown impressive capabilities but still suffer from the issue of hallucinations. A significant type of this issue is the false premise hallucination, which we define as the phenomenon when LLMs generate hallucinated text when confronted with false premise questions. In this paper, we perform a comprehensive analysis of the false premise hallucination and elucidate its internal working mechanism: a small subset of attention heads (which we designate as false premise heads) disturb the knowledge extraction process, leading to the occurrence of false premise hallucination. Based on our analysis, we propose FAITH (False premise Attention head constraIining for miTigating Hallucinations), a novel and effective method to mitigate false premise hallucinations. It constrains the false premise attention heads during the model inference process. Impressively, extensive experiments demonstrate that constraining only approximately 1% of the attention heads in the model yields a notable increase of nearly 20% of model performance.

Language Models (LMs) often must integrate facts they memorized in pretraining with new information that appears in a given context. These two sources can disagree, causing competition within the model, and it is unclear how an LM will resolve the conflict. On a dataset that queries for knowledge of world capitals, we investigate both distributional and mechanistic determinants of LM behavior in such situations. Specifically, we measure the proportion of the time an LM will use a counterfactual prefix (e.g., "The capital of Poland is London") to overwrite what it learned in pretraining ("Warsaw"). On Pythia and GPT2, the training frequency of both the query country ("Poland") and the in-context city ("London") highly affect the models' likelihood of using the counterfactual. We then use head attribution to identify individual attention heads that either promote the memorized answer or the in-context answer in the logits. By scaling up or down the value vector of these heads, we can control the likelihood of using the in-context answer on new data. This method can increase the rate of generating the in-context answer to 88\% of the time simply by scaling a single head at runtime. Our work contributes to a body of evidence showing that we can often localize model behaviors to specific components and provides a proof of concept for how future methods might control model behavior dynamically at runtime.

Modern language models can imitate complex patterns through few-shot learning, enabling them to complete challenging tasks without fine-tuning. However, imitation can also lead models to reproduce inaccuracies or harmful content if present in the context. We study harmful imitation through the lens of a model's internal representations, and identify two related phenomena: "overthinking" and "false induction heads". The first phenomenon, overthinking, appears when we decode predictions from intermediate layers, given correct vs. incorrect few-shot demonstrations. At early layers, both demonstrations induce similar model behavior, but the behavior diverges sharply at some "critical layer", after which the accuracy given incorrect demonstrations progressively decreases. The second phenomenon, false induction heads, are a possible mechanistic cause of overthinking: these are heads in late layers that attend to and copy false information from previous demonstrations, and whose ablation reduces overthinking. Beyond scientific understanding, our results suggest that studying intermediate model computations could be a promising avenue for understanding and guarding against harmful model behaviors.

A few-shot font generation (FFG) method has to satisfy two objectives: the generated images should preserve the underlying global structure of the target character and present the diverse local reference style. Existing FFG methods aim to disentangle content and style either by extracting a universal representation style or extracting multiple component-wise style representations. However, previous methods either fail to capture diverse local styles or cannot be generalized to a character with unseen components, e.g., unseen language systems. To mitigate the issues, we propose a novel FFG method, named Multiple Localized Experts Few-shot Font Generation Network (MX-Font). MX-Font extracts multiple style features not explicitly conditioned on component labels, but automatically by multiple experts to represent different local concepts, e.g., left-side sub-glyph. Owing to the multiple experts, MX-Font can capture diverse local concepts and show the generalizability to unseen languages. During training, we utilize component labels as weak supervision to guide each expert to be specialized for different local concepts. We formulate the component assign problem to each expert as the graph matching problem, and solve it by the Hungarian algorithm. We also employ the independence loss and the content-style adversarial loss to impose the content-style disentanglement. In our experiments, MX-Font outperforms previous state-of-the-art FFG methods in the Chinese generation and cross-lingual, e.g., Chinese to Korean, generation. Source code is available at https://github.com/clovaai/mxfont.

To act in the world, a model must name what it sees and know where it is in 3D. Today's vision-language models (VLMs) excel at open-ended 2D description and grounding, yet multi-object 3D detection remains largely missing from the VLM toolbox. We present LocateAnything3D, a VLM-native recipe that casts 3D detection as a next-token prediction problem. The key is a short, explicit Chain-of-Sight (CoS) sequence that mirrors how human reason from images: find an object in 2D, then infer its distance, size, and pose. The decoder first emits 2D detections as a visual chain-of-thought, then predicts 3D boxes under an easy-to-hard curriculum: across objects, a near-to-far order reduces early ambiguity and matches ego-centric utility; within each object, a center-from-camera, dimensions, and rotation factorization ranks information by stability and learnability. This VLM-native interface preserves open-vocabulary and visual-prompting capability without specialized heads. On the challenging Omni3D benchmark, our model achieves state-of-the-art results, with 49.89 AP_3D, surpassing the previous best by +15.51 absolute improvement even when the baseline is given ground-truth 2D boxes. It also generalizes zero-shot to held-out categories with strong robustness. By turning 3D detection into a disciplined next-token problem, LocateAnything3D offers a practical foundation for models to perceive in 3D.

Large language models such as GPT and Llama are trained with a next-token prediction loss. In this work, we suggest that training language models to predict multiple future tokens at once results in higher sample efficiency. More specifically, at each position in the training corpus, we ask the model to predict the following n tokens using n independent output heads, operating on top of a shared model trunk. Considering multi-token prediction as an auxiliary training task, we measure improved downstream capabilities with no overhead in training time for both code and natural language models. The method is increasingly useful for larger model sizes, and keeps its appeal when training for multiple epochs. Gains are especially pronounced on generative benchmarks like coding, where our models consistently outperform strong baselines by several percentage points. Our 13B parameter models solves 12 % more problems on HumanEval and 17 % more on MBPP than comparable next-token models. Experiments on small algorithmic tasks demonstrate that multi-token prediction is favorable for the development of induction heads and algorithmic reasoning capabilities. As an additional benefit, models trained with 4-token prediction are up to 3 times faster at inference, even with large batch sizes.

Sparse attention can effectively mitigate the significant memory and throughput demands of Large Language Models (LLMs) in long contexts. Existing methods typically employ a uniform sparse attention mask, applying the same sparse pattern across different attention heads and input lengths. However, this uniform approach fails to capture the diverse attention patterns inherent in LLMs, ignoring their distinct accuracy-latency trade-offs. To address this challenge, we propose the Mixture of Attention (MoA), which automatically tailors distinct sparse attention configurations to different heads and layers. MoA constructs and navigates a search space of various attention patterns and their scaling rules relative to input sequence lengths. It profiles the model, evaluates potential configurations, and pinpoints the optimal sparse attention compression plan. MoA adapts to varying input sizes, revealing that some attention heads expand their focus to accommodate longer sequences, while other heads consistently concentrate on fixed-length local contexts. Experiments show that MoA increases the effective context length by 3.9times with the same average attention span, boosting retrieval accuracy by 1.5-7.1times over the uniform-attention baseline across Vicuna-7B, Vicuna-13B, and Llama3-8B models. Moreover, MoA narrows the capability gaps between sparse and dense models, reducing the maximum relative performance drop from 9%-36% to within 5% across two long-context understanding benchmarks. MoA achieves a 1.2-1.4times GPU memory reduction and boosts decode throughput by 5.5-6.7 times for 7B and 13B dense models on a single GPU, with minimal impact on performance.

Can we localize the weights and mechanisms used by a language model to memorize and recite entire paragraphs of its training data? In this paper, we show that while memorization is spread across multiple layers and model components, gradients of memorized paragraphs have a distinguishable spatial pattern, being larger in lower model layers than gradients of non-memorized examples. Moreover, the memorized examples can be unlearned by fine-tuning only the high-gradient weights. We localize a low-layer attention head that appears to be especially involved in paragraph memorization. This head is predominantly focusing its attention on distinctive, rare tokens that are least frequent in a corpus-level unigram distribution. Next, we study how localized memorization is across the tokens in the prefix by perturbing tokens and measuring the caused change in the decoding. A few distinctive tokens early in a prefix can often corrupt the entire continuation. Overall, memorized continuations are not only harder to unlearn, but also to corrupt than non-memorized ones.

Large Language Models (LLMs) have achieved remarkable results. But existing models are expensive to train and deploy, and it is also difficult to expand their knowledge beyond pre-training data without forgetting previous knowledge. This paper proposes a new neural network architecture, ModuleFormer, that leverages modularity to improve the efficiency and flexibility of large language models. ModuleFormer is based on the Sparse Mixture of Experts (SMoE). Unlike the previous SMoE-based modular language model [Gururangan et al., 2021], which requires domain-labeled data to learn domain-specific experts, ModuleFormer can induce modularity from uncurated data with its new load balancing and load concentration losses. ModuleFormer is a modular architecture that includes two different types of modules, new stick-breaking attention heads, and feedforward experts. Different modules are sparsely activated conditions on the input token during training and inference. In our experiment, we found that the modular architecture enables three important abilities for large pre-trained language models: 1) Efficiency, since ModuleFormer only activates a subset of its modules for each input token, thus it could achieve the same performance as dense LLMs with more than two times throughput; 2) Extendability, ModuleFormer is more immune to catastrophic forgetting than dense LLMs and can be easily extended with new modules to learn new knowledge that is not included in the training data; 3) Specialisation, finetuning ModuleFormer could specialize a subset of modules to the finetuning task, and the task-unrelated modules could be easily pruned for a lightweight deployment.

A basic question within the emerging field of mechanistic interpretability is the degree to which neural networks learn the same underlying mechanisms. In other words, are neural mechanisms universal across different models? In this work, we study the universality of individual neurons across GPT2 models trained from different initial random seeds, motivated by the hypothesis that universal neurons are likely to be interpretable. In particular, we compute pairwise correlations of neuron activations over 100 million tokens for every neuron pair across five different seeds and find that 1-5\% of neurons are universal, that is, pairs of neurons which consistently activate on the same inputs. We then study these universal neurons in detail, finding that they usually have clear interpretations and taxonomize them into a small number of neuron families. We conclude by studying patterns in neuron weights to establish several universal functional roles of neurons in simple circuits: deactivating attention heads, changing the entropy of the next token distribution, and predicting the next token to (not) be within a particular set.

Large Vision Language Models (LVLMs) have demonstrated remarkable capabilities in understanding and describing visual content, achieving state-of-the-art performance across various vision-language tasks. However, these models frequently exhibit hallucination behavior, where they generate descriptions containing objects or details absent in the input image. Our work investigates this phenomenon by analyzing attention patterns across transformer layers and heads, revealing that hallucinations often stem from progressive degradation of visual grounding in deeper layers. We propose a novel attention modification approach that combines selective token emphasis and head-specific modulation to maintain visual grounding throughout the generation process. Our method introduces two key components: (1) a dual-stream token selection mechanism that identifies and prioritizes both locally informative and spatially significant visual tokens, and (2) an attention head-specific modulation strategy that differentially amplifies visual information processing based on measured visual sensitivity of individual attention heads. Through extensive experimentation on the MSCOCO dataset, we demonstrate that our approach reduces hallucination rates by up to 62.3\% compared to baseline models while maintaining comparable task performance. Our analysis reveals that selectively modulating tokens across attention heads with varying levels of visual sensitivity can significantly improve visual grounding without requiring model retraining.

Understanding the decision-making processes of neural networks is a central goal of mechanistic interpretability. In the context of Large Language Models (LLMs), this involves uncovering the underlying mechanisms and identifying the roles of individual model components such as neurons and attention heads, as well as model abstractions such as the learned sparse features extracted by Sparse Autoencoders (SAEs). A rapidly growing line of work tackles this challenge by using powerful generator models to produce open-vocabulary, natural language concept descriptions for these components. In this paper, we provide the first survey of the emerging field of concept descriptions for model components and abstractions. We chart the key methods for generating these descriptions, the evolving landscape of automated and human metrics for evaluating them, and the datasets that underpin this research. Our synthesis reveals a growing demand for more rigorous, causal evaluation. By outlining the state of the art and identifying key challenges, this survey provides a roadmap for future research toward making models more transparent.

Multi-task visual grounding (MTVG) includes two sub-tasks, i.e., Referring Expression Comprehension (REC) and Referring Expression Segmentation (RES). The existing representative approaches generally follow the research pipeline which mainly consists of three core procedures, including independent feature extraction for visual and linguistic modalities, respectively, cross-modal interaction module, and independent prediction heads for different sub-tasks. Albeit achieving remarkable performance, this research line has two limitations: 1) The linguistic content has not been fully injected into the entire visual backbone for boosting more effective visual feature extraction and it needs an extra cross-modal interaction module; 2) The relationship between REC and RES tasks is not effectively exploited to help the collaborative prediction for more accurate output. To deal with these problems, in this paper, we propose a Progressive Language-guided Visual Learning framework for multi-task visual grounding, called PLVL, which not only finely mine the inherent feature expression of the visual modality itself but also progressively inject the language information to help learn linguistic-related visual features. In this manner, our PLVL does not need additional cross-modal fusion module while fully introducing the language guidance. Furthermore, we analyze that the localization center for REC would help identify the to-be-segmented object region for RES to some extent. Inspired by this investigation, we design a multi-task head to accomplish collaborative predictions for these two sub-tasks. Extensive experiments conducted on several benchmark datasets comprehensively substantiate that our PLVL obviously outperforms the representative methods in both REC and RES tasks. https://github.com/jcwang0602/PLVL

Many recent studies have found evidence for emergent reasoning capabilities in large language models (LLMs), but debate persists concerning the robustness of these capabilities, and the extent to which they depend on structured reasoning mechanisms. To shed light on these issues, we study the internal mechanisms that support abstract reasoning in LLMs. We identify an emergent symbolic architecture that implements abstract reasoning via a series of three computations. In early layers, symbol abstraction heads convert input tokens to abstract variables based on the relations between those tokens. In intermediate layers, symbolic induction heads perform sequence induction over these abstract variables. Finally, in later layers, retrieval heads predict the next token by retrieving the value associated with the predicted abstract variable. These results point toward a resolution of the longstanding debate between symbolic and neural network approaches, suggesting that emergent reasoning in neural networks depends on the emergence of symbolic mechanisms.

Mixture-of-Experts (MoE) networks have been proposed as an efficient way to scale up model capacity and implement conditional computing. However, the study of MoE components mostly focused on the feedforward layer in Transformer architecture. This paper proposes the Mixture of Attention Heads (MoA), a new architecture that combines multi-head attention with the MoE mechanism. MoA includes a set of attention heads that each has its own set of parameters. Given an input, a router dynamically selects a subset of k attention heads per token. This conditional computation schema allows MoA to achieve stronger performance than the standard multi-head attention layer. Furthermore, the sparsely gated MoA can easily scale up the number of attention heads and the number of parameters while preserving computational efficiency. In addition to the performance improvements, MoA also automatically differentiates heads' utilities, providing a new perspective to discuss the model's interpretability. We conducted experiments on several important tasks, including Machine Translation and Masked Language Modeling. Experiments have shown promising results on several tasks against strong baselines that involve large and very deep models.

Understanding how Large Language Models (LLMs) perform logical reasoning internally remains a fundamental challenge. While prior mechanistic studies focus on identifying taskspecific circuits, they leave open the question of what computational strategies LLMs employ for propositional reasoning. We address this gap through comprehensive analysis of Qwen3 (8B and 14B) on PropLogic-MI, a controlled dataset spanning 11 propositional logic rule categories across one-hop and two-hop reasoning. Rather than asking ''which components are necessary,'' we ask ''how does the model organize computation?'' Our analysis reveals a coherent computational architecture comprising four interlocking mechanisms: Staged Computation (layer-wise processing phases), Information Transmission (information flow aggregation at boundary tokens), Fact Retrospection (persistent re-access of source facts), and Specialized Attention Heads (functionally distinct head types). These mechanisms generalize across model scales, rule types, and reasoning depths, providing mechanistic evidence that LLMs employ structured computational strategies for logical reasoning.

Negative bias refers to the tendency of large language models (LLMs) to excessively generate negative responses in binary decision tasks (e.g., yes-no question answering). Previous research has focused on detecting and addressing negative attention heads that induce negative bias. However, the underlying detailed factors influencing negative bias remain underexplored. In this paper, we demonstrate that LLMs exhibit format-level negative bias, meaning the prompt format more influences their responses than the semantics of the negative response. For the fine-grained study of the negative bias, we introduce a pipeline for constructing the evaluation set, which systematically categorizes the dataset into three subsets based on the model's parametric knowledge: correct, incorrect, and insufficient relevant knowledge. Through analysis of this evaluation set, we identify a shortcut behavior in which models tend to generate negative responses when they lack sufficient knowledge to answer a yes-no question, leading to negative bias. We further examine how negative bias changes under various prompting scenarios related to parametric knowledge. We observe that providing relevant context and offering an "I don't know" option generally reduces negative bias, whereas chain-of-thought prompting tends to amplify the bias. Finally, we demonstrate that the degree of negative bias can vary depending on the type of prompt, which influences the direction of the response. Our work reveals the various factors that influence negative bias, providing critical insights for mitigating it in LLMs.

Aligning general-purpose large language models (LLMs) to downstream tasks often incurs significant training adjustment costs. Prior research has explored various avenues to enhance alignment efficiency, primarily through minimal-data training or data-driven activations to identify key attention heads. However, these approaches inherently introduce data dependency, which hinders generalization and reusability. To address this issue and enhance model alignment efficiency, we propose the \textbf{Attention Localization and Pruning Strategy (ALPS)}, an efficient algorithm that localizes the most task-sensitive attention heads and prunes by restricting attention training updates to these heads, thereby reducing alignment costs. Experimental results demonstrate that our method activates only 10\% of attention parameters during fine-tuning while achieving a 2\% performance improvement over baselines on three tasks. Moreover, the identified task-specific heads are transferable across datasets and mitigate knowledge forgetting. Our work and findings provide a novel perspective on efficient LLM alignment. The code is available at https://github.com/VoiceBeer/ALPS.

KV cache is a widely used acceleration technique for large language models (LLMs) inference. However, its memory requirement grows rapidly with input length. Previous studies have reduced the size of KV cache by either removing the same number of unimportant tokens for all attention heads or by allocating differentiated KV cache budgets for pre-identified attention heads. However, due to the importance of attention heads varies across different tasks, the pre-identified attention heads fail to adapt effectively to various downstream tasks. To address this issue, we propose Task-KV, a method that leverages the semantic differentiation of attention heads to allocate differentiated KV cache budgets across various tasks. We demonstrate that attention heads far from the semantic center (called heterogeneous heads) make an significant contribution to task outputs and semantic understanding. In contrast, other attention heads play the role of aggregating important information and focusing reasoning. Task-KV allocates full KV cache budget to heterogeneous heads to preserve comprehensive semantic information, while reserving a small number of recent tokens and attention sinks for non-heterogeneous heads. Furthermore, we innovatively introduce middle activations to preserve key contextual information aggregated from non-heterogeneous heads. To dynamically perceive semantic differences among attention heads, we design a semantic separator to distinguish heterogeneous heads from non-heterogeneous ones based on their distances from the semantic center. Experimental results on multiple benchmarks and different model architectures demonstrate that Task-KV significantly outperforms existing baseline methods.

Answering multi-hop reasoning questions requires retrieving and synthesizing information from diverse sources. Large Language Models (LLMs) struggle to perform such reasoning consistently. Here we propose an approach to pinpoint and rectify multi-hop reasoning failures through targeted memory injections on LLM attention heads. First, we analyze the per-layer activations of GPT-2 models in response to single and multi-hop prompts. We then propose a mechanism that allows users to inject pertinent prompt-specific information, which we refer to as "memories," at critical LLM locations during inference. By thus enabling the LLM to incorporate additional relevant information during inference, we enhance the quality of multi-hop prompt completions. We show empirically that a simple, efficient, and targeted memory injection into a key attention layer can often increase the probability of the desired next token in multi-hop tasks, by up to 424%.

Continual pretraining is a popular way of building a domain-specific pretrained language model from a general-domain language model. In spite of its high efficiency, continual pretraining suffers from catastrophic forgetting, which may harm the model's performance in downstream tasks. To alleviate the issue, in this paper, we propose a continual pretraining method for the BERT-based model, named Attention-FFN Adapter. Its main idea is to introduce a small number of attention heads and hidden units inside each self-attention layer and feed-forward network. Furthermore, we train a domain-specific language model named AF Adapter based RoBERTa for the Chinese biomedical domain. In experiments, models are applied to downstream tasks for evaluation. The results demonstrate that with only about 17% of model parameters trained, AF Adapter achieves 0.6%, 2% gain in performance on average, compared to strong baselines. Further experimental results show that our method alleviates the catastrophic forgetting problem by 11% compared to the fine-tuning method.

Large language models (LLMs) process entire input contexts indiscriminately, which is inefficient in cases where the information required to answer a query is localized within the context. We present dynamic context cutoff, a human-inspired method enabling LLMs to self-terminate processing upon acquiring sufficient task-relevant information. Through analysis of model internals, we discover that specific attention heads inherently encode "sufficiency signals" - detectable through lightweight classifiers - that predict when critical information has been processed. This reveals a new efficiency paradigm: models' internal understanding naturally dictates processing needs rather than external compression heuristics. Comprehensive experiments across six QA datasets (up to 40K tokens) with three model families (LLaMA/Qwen/Mistral, 1B0-70B) demonstrate 1.33x average token reduction while improving accuracy by 1.3%. Furthermore, our method demonstrates better performance with the same rate of token reduction compared to other context efficiency methods. Additionally, we observe an emergent scaling phenomenon: while smaller models require require probing for sufficiency detection, larger models exhibit intrinsic self-assessment capabilities through prompting.

A binary decision task, like yes-no questions or answer verification, reflects a significant real-world scenario such as where users look for confirmation about the correctness of their decisions on specific issues. In this work, we observe that language models exhibit a negative bias in the binary decisions of complex reasoning tasks. Based on our observations and the rationale about attention-based model dynamics, we propose a negative attention score (NAS) to systematically and quantitatively formulate negative bias. Based on NAS, we identify attention heads that attend to negative tokens provided in the instructions as answer candidate of binary decisions, regardless of the question in the prompt, and validate their association with the negative bias. Additionally, we propose the negative attention score alignment (NASA) method, which is a parameter-efficient fine-tuning technique to address the extracted negatively biased attention heads. Experimental results from various domains of reasoning tasks and large model search space demonstrate that NASA significantly reduces the gap between precision and recall caused by negative bias while preserving their generalization abilities. Our codes are available at https://github.com/ysw1021/NASA.

This paper describes the architecture and systems built towards solving the SemEval 2023 Task 2: MultiCoNER II (Multilingual Complex Named Entity Recognition) [1]. We evaluate two approaches (a) a traditional Conditional Random Fields model and (b) a Large Language Model (LLM) fine-tuned with a customized head and compare the two approaches. The novel ideas explored are: 1) Decaying auxiliary loss (with residual) - where we train the model on an auxiliary task of Coarse-Grained NER and include this task as a part of the loss function 2) Triplet token blending - where we explore ways of blending the embeddings of neighboring tokens in the final NER layer prior to prediction 3) Task-optimal heads - where we explore a variety of custom heads and learning rates for the final layer of the LLM. We also explore multiple LLMs including GPT-3 and experiment with a variety of dropout and other hyperparameter settings before arriving at our final model which achieves micro & macro f1 of 0.85/0.84 (on dev) and 0.67/0.61 on the test data . We show that while pre-trained LLMs, by themselves, bring about a large improvement in scores as compared to traditional models, we also demonstrate that tangible improvements to the Macro-F1 score can be made by augmenting the LLM with additional feature/loss/model engineering techniques described above.

We introduce Inference-Time Intervention (ITI), a technique designed to enhance the truthfulness of large language models (LLMs). ITI operates by shifting model activations during inference, following a set of directions across a limited number of attention heads. This intervention significantly improves the performance of LLaMA models on the TruthfulQA benchmark. On an instruction-finetuned LLaMA called Alpaca, ITI improves its truthfulness from 32.5% to 65.1%. We identify a tradeoff between truthfulness and helpfulness and demonstrate how to balance it by tuning the intervention strength. ITI is minimally invasive and computationally inexpensive. Moreover, the technique is data efficient: while approaches like RLHF require extensive annotations, ITI locates truthful directions using only few hundred examples. Our findings suggest that LLMs may have an internal representation of the likelihood of something being true, even as they produce falsehoods on the surface.

Pretrained language models have achieved state-of-the-art performance when adapted to a downstream NLP task. However, theoretical analysis of these models is scarce and challenging since the pretraining and downstream tasks can be very different. We propose an analysis framework that links the pretraining and downstream tasks with an underlying latent variable generative model of text -- the downstream classifier must recover a function of the posterior distribution over the latent variables. We analyze head tuning (learning a classifier on top of the frozen pretrained model) and prompt tuning in this setting. The generative model in our analysis is either a Hidden Markov Model (HMM) or an HMM augmented with a latent memory component, motivated by long-term dependencies in natural language. We show that 1) under certain non-degeneracy conditions on the HMM, simple classification heads can solve the downstream task, 2) prompt tuning obtains downstream guarantees with weaker non-degeneracy conditions, and 3) our recovery guarantees for the memory-augmented HMM are stronger than for the vanilla HMM because task-relevant information is easier to recover from the long-term memory. Experiments on synthetically generated data from HMMs back our theoretical findings.

Recently, text-guided 3D generative methods have made remarkable advancements in producing high-quality textures and geometry, capitalizing on the proliferation of large vision-language and image diffusion models. However, existing methods still struggle to create high-fidelity 3D head avatars in two aspects: (1) They rely mostly on a pre-trained text-to-image diffusion model whilst missing the necessary 3D awareness and head priors. This makes them prone to inconsistency and geometric distortions in the generated avatars. (2) They fall short in fine-grained editing. This is primarily due to the inherited limitations from the pre-trained 2D image diffusion models, which become more pronounced when it comes to 3D head avatars. In this work, we address these challenges by introducing a versatile coarse-to-fine pipeline dubbed HeadSculpt for crafting (i.e., generating and editing) 3D head avatars from textual prompts. Specifically, we first equip the diffusion model with 3D awareness by leveraging landmark-based control and a learned textual embedding representing the back view appearance of heads, enabling 3D-consistent head avatar generations. We further propose a novel identity-aware editing score distillation strategy to optimize a textured mesh with a high-resolution differentiable rendering technique. This enables identity preservation while following the editing instruction. We showcase HeadSculpt's superior fidelity and editing capabilities through comprehensive experiments and comparisons with existing methods.

While recent vision-language-action models trained on diverse robot datasets exhibit promising generalization capabilities with limited in-domain data, their reliance on compact action heads to predict discretized or continuous actions constrains adaptability to heterogeneous action spaces. We present Dita, a scalable framework that leverages Transformer architectures to directly denoise continuous action sequences through a unified multimodal diffusion process. Departing from prior methods that condition denoising on fused embeddings via shallow networks, Dita employs in-context conditioning -- enabling fine-grained alignment between denoised actions and raw visual tokens from historical observations. This design explicitly models action deltas and environmental nuances. By scaling the diffusion action denoiser alongside the Transformer's scalability, Dita effectively integrates cross-embodiment datasets across diverse camera perspectives, observation scenes, tasks, and action spaces. Such synergy enhances robustness against various variances and facilitates the successful execution of long-horizon tasks. Evaluations across extensive benchmarks demonstrate state-of-the-art or comparative performance in simulation. Notably, Dita achieves robust real-world adaptation to environmental variances and complex long-horizon tasks through 10-shot finetuning, using only third-person camera inputs. The architecture establishes a versatile, lightweight and open-source baseline for generalist robot policy learning. Project Page: https://robodita.github.io.

We introduce methods for discovering and applying sparse feature circuits. These are causally implicated subnetworks of human-interpretable features for explaining language model behaviors. Circuits identified in prior work consist of polysemantic and difficult-to-interpret units like attention heads or neurons, rendering them unsuitable for many downstream applications. In contrast, sparse feature circuits enable detailed understanding of unanticipated mechanisms. Because they are based on fine-grained units, sparse feature circuits are useful for downstream tasks: We introduce SHIFT, where we improve the generalization of a classifier by ablating features that a human judges to be task-irrelevant. Finally, we demonstrate an entirely unsupervised and scalable interpretability pipeline by discovering thousands of sparse feature circuits for automatically discovered model behaviors.

The popularity of LLaMA (Touvron et al., 2023a;b) and other recently emerged moderate-sized large language models (LLMs) highlights the potential of building smaller yet powerful LLMs. Regardless, the cost of training such models from scratch on trillions of tokens remains high. In this work, we study structured pruning as an effective means to develop smaller LLMs from pre-trained, larger models. Our approach employs two key techniques: (1) targeted structured pruning, which prunes a larger model to a specified target shape by removing layers, heads, and intermediate and hidden dimensions in an end-to-end manner, and (2) dynamic batch loading, which dynamically updates the composition of sampled data in each training batch based on varying losses across different domains. We demonstrate the efficacy of our approach by presenting the Sheared-LLaMA series, pruning the LLaMA2-7B model down to 1.3B and 2.7B parameters. Sheared-LLaMA models outperform state-of-the-art open-source models of equivalent sizes, such as Pythia, INCITE, and OpenLLaMA models, on a wide range of downstream and instruction tuning evaluations, while requiring only 3% of compute compared to training such models from scratch. This work provides compelling evidence that leveraging existing LLMs with structured pruning is a far more cost-effective approach for building smaller LLMs.

Understanding 3D scenes goes beyond simply recognizing objects; it requires reasoning about the spatial and semantic relationships between them. Current 3D scene-language models often struggle with this relational understanding, particularly when visual embeddings alone do not adequately convey the roles and interactions of objects. In this paper, we introduce Descrip3D, a novel and powerful framework that explicitly encodes the relationships between objects using natural language. Unlike previous methods that rely only on 2D and 3D embeddings, Descrip3D enhances each object with a textual description that captures both its intrinsic attributes and contextual relationships. These relational cues are incorporated into the model through a dual-level integration: embedding fusion and prompt-level injection. This allows for unified reasoning across various tasks such as grounding, captioning, and question answering, all without the need for task-specific heads or additional supervision. When evaluated on five benchmark datasets, including ScanRefer, Multi3DRefer, ScanQA, SQA3D, and Scan2Cap, Descrip3D consistently outperforms strong baseline models, demonstrating the effectiveness of language-guided relational representation for understanding complex indoor scenes.

Recent studies have shown that large language models (LLMs) can assess relevance and support information retrieval (IR) tasks such as document ranking and relevance judgment generation. However, the internal mechanisms by which off-the-shelf LLMs understand and operationalize relevance remain largely unexplored. In this paper, we systematically investigate how different LLM modules contribute to relevance judgment through the lens of mechanistic interpretability. Using activation patching techniques, we analyze the roles of various model components and identify a multi-stage, progressive process in generating either pointwise or pairwise relevance judgment. Specifically, LLMs first extract query and document information in the early layers, then process relevance information according to instructions in the middle layers, and finally utilize specific attention heads in the later layers to generate relevance judgments in the required format. Our findings provide insights into the mechanisms underlying relevance assessment in LLMs, offering valuable implications for future research on leveraging LLMs for IR tasks.

Change Detection (CD) aims to identify pixels with semantic changes between images. However, annotating massive numbers of pixel-level images is labor-intensive and costly, especially for multi-temporal images, which require pixel-wise comparisons by human experts. Considering the excellent performance of visual language models (VLMs) for zero-shot, open-vocabulary, etc. with prompt-based reasoning, it is promising to utilize VLMs to make better CD under limited labeled data. In this paper, we propose a VLM guidance-based semi-supervised CD method, namely SemiCD-VL. The insight of SemiCD-VL is to synthesize free change labels using VLMs to provide additional supervision signals for unlabeled data. However, almost all current VLMs are designed for single-temporal images and cannot be directly applied to bi- or multi-temporal images. Motivated by this, we first propose a VLM-based mixed change event generation (CEG) strategy to yield pseudo labels for unlabeled CD data. Since the additional supervised signals provided by these VLM-driven pseudo labels may conflict with the pseudo labels from the consistency regularization paradigm (e.g. FixMatch), we propose the dual projection head for de-entangling different signal sources. Further, we explicitly decouple the bi-temporal images semantic representation through two auxiliary segmentation decoders, which are also guided by VLM. Finally, to make the model more adequately capture change representations, we introduce metric-aware supervision by feature-level contrastive loss in auxiliary branches. Extensive experiments show the advantage of SemiCD-VL. For instance, SemiCD-VL improves the FixMatch baseline by +5.3 IoU on WHU-CD and by +2.4 IoU on LEVIR-CD with 5% labels. In addition, our CEG strategy, in an un-supervised manner, can achieve performance far superior to state-of-the-art un-supervised CD methods.

Recently, retrieval augmentation and tool augmentation have demonstrated a remarkable capability to expand the internal memory boundaries of language models (LMs) by providing external context. However, internal memory and external context inevitably clash, leading to knowledge conflicts within LMs. In this paper, we aim to interpret the mechanism of knowledge conflicts through the lens of information flow, and then mitigate conflicts by precise interventions at the pivotal point. We find there are some attention heads with opposite effects in the later layers, where memory heads can recall knowledge from internal memory, and context heads can retrieve knowledge from external context. Moreover, we reveal that the pivotal point at which knowledge conflicts emerge in LMs is the integration of inconsistent information flows by memory heads and context heads. Inspired by the insights, we propose a novel method called Pruning Head via PatH PatcHing (PH3), which can efficiently mitigate knowledge conflicts by pruning conflicting attention heads without updating model parameters. PH3 can flexibly control eight LMs to use internal memory (uparrow 44.0%) or external context (uparrow 38.5%). Moreover, PH3 can also improve the performance of LMs on open-domain QA tasks. We also conduct extensive experiments to demonstrate the cross-model, cross-relation, and cross-format generalization of our method.

Large language models (LLMs) have demonstrated remarkable capabilities across various tasks. However, their widespread application is hindered by the resource-intensive decoding process. To address this challenge, current approaches have incorporated additional decoding heads to enable parallel prediction of multiple subsequent tokens, thereby achieving inference acceleration. Nevertheless, the accuracy of these decoding heads falls short of the auto-regressive decoding approach. In light of these limitations, we propose Chimera, a novel framework specifically designed for speculative sampling. Within this framework, we introduce a lightweight draft model that effectively utilizes previously generated tokens to predict subsequent words. To ensure both accuracy and efficiency, we present two strategies within the lightweight draft model. Firstly, we focus on capturing short-range dependencies at the bottom layer. Secondly, we leverage the readily available representations from the original LLM.Through empirical evaluation on the Vicuna and LlaMA-2 series, Chimera demonstrates impressive results, achieving an average latency speedup ratio of 2.7x compared to the vanilla auto-regressive decoding approach. This highlights the potential of our proposed framework in significantly improving the efficiency of large language models during the decoding process.

Sentiment is a pervasive feature in natural language text, yet it is an open question how sentiment is represented within Large Language Models (LLMs). In this study, we reveal that across a range of models, sentiment is represented linearly: a single direction in activation space mostly captures the feature across a range of tasks with one extreme for positive and the other for negative. Through causal interventions, we isolate this direction and show it is causally relevant in both toy tasks and real world datasets such as Stanford Sentiment Treebank. Through this case study we model a thorough investigation of what a single direction means on a broad data distribution. We further uncover the mechanisms that involve this direction, highlighting the roles of a small subset of attention heads and neurons. Finally, we discover a phenomenon which we term the summarization motif: sentiment is not solely represented on emotionally charged words, but is additionally summarized at intermediate positions without inherent sentiment, such as punctuation and names. We show that in Stanford Sentiment Treebank zero-shot classification, 76% of above-chance classification accuracy is lost when ablating the sentiment direction, nearly half of which (36%) is due to ablating the summarized sentiment direction exclusively at comma positions.

Common language models typically predict the next word given the context. In this work, we propose a method that improves language modeling by learning to align the given context and the following phrase. The model does not require any linguistic annotation of phrase segmentation. Instead, we define syntactic heights and phrase segmentation rules, enabling the model to automatically induce phrases, recognize their task-specific heads, and generate phrase embeddings in an unsupervised learning manner. Our method can easily be applied to language models with different network architectures since an independent module is used for phrase induction and context-phrase alignment, and no change is required in the underlying language modeling network. Experiments have shown that our model outperformed several strong baseline models on different data sets. We achieved a new state-of-the-art performance of 17.4 perplexity on the Wikitext-103 dataset. Additionally, visualizing the outputs of the phrase induction module showed that our model is able to learn approximate phrase-level structural knowledge without any annotation.

Bytes form the basis of the digital world and thus are a promising building block for multimodal foundation models. Recently, Byte Language Models (BLMs) have emerged to overcome tokenization, yet the excessive length of bytestreams requires new architectural paradigms. Therefore, we present the Multiscale Byte Language Model (MBLM), a model-agnostic hierarchical decoder stack that allows training with context windows of 5M bytes on single GPU in full model precision. We thoroughly examine MBLM's performance with Transformer and Mamba blocks on both unimodal and multimodal tasks. Our experiments demonstrate that hybrid architectures are efficient in handling extremely long byte sequences during training while achieving near-linear generational efficiency. To the best of our knowledge, we present the first evaluation of BLMs on visual Q\&A tasks and find that, despite serializing images and the absence of an encoder, a MBLM with pure next token prediction can match custom CNN-LSTM architectures with designated classification heads. We show that MBLMs exhibit strong adaptability in integrating diverse data representations, including pixel and image filestream bytes, underlining their potential toward omnimodal foundation models. Source code is publicly available at: https://github.com/ai4sd/multiscale-byte-lm

Language models, while capable of generating remarkably coherent and seemingly accurate text, can occasionally produce undesirable content, including harmful or toxic outputs. In this paper, we present a new two-stage approach to detect and mitigate undesirable content generations by rectifying activations. First, we train an ensemble of layerwise classifiers to detect undesirable content using activations by minimizing a smooth surrogate of the risk-aware score. Then, for detected undesirable contents, we propose layerwise distributional steering policies that transform the attention heads. These policies are computed through principled semidefinite programming, which aims to minimally perturb the attention distribution while probabilistically guaranteeing the effectiveness of the editions. Empirical evaluations across multiple language models and datasets show that our method outperforms baselines in reducing the generation of undesirable output.

While diffusion language models (DLMs) offer a promising alternative to autoregressive models (ARs), existing open-source DLMs suffer from high inference latency. This bottleneck is mainly due to the attention's quadratic complexity with respect to context length in computing all query-key pairs. Intuitively, to reduce this complexity, a natural strategy is to restrict attention to sparse patterns that retain only the most relevant connections. Such approaches are well-established in ARs, where attention follows fixed and clearly defined sparse patterns. However, in DLMs, we observe distinct sparsity behaviors: (1) attention patterns vary across heads, (2) attention patterns in each head remain highly similar across denoising steps, and (3) early denoising steps are critical for generation. These findings render sparse attention methods designed for ARs largely incompatible with DLMs, as they fail to capture head-specific structures and risk degrading generation when applied in early denoising steps. To address these challenges, we propose SparseD, a novel sparse attention method for DLMs. Leveraging the observations, SparseD only requires pre-computing head-specific sparse patterns one time, and reuses them across all steps. This prevents recomputing sparse patterns at each denoising step. Meanwhile, SparseD uses full attention in the early steps, then switches to sparse attention later to maintain generation quality. Together, these establish SparseD as a practical and efficient solution for deploying DLMs in long-context applications. Experimental results demonstrate that SparseD achieves lossless acceleration, delivering up to 1.50times speedup over FlashAttention at a 64k context length with 1,024 denoising steps.

This paper proposes a simple, yet effective framework, called GiT, simultaneously applicable for various vision tasks only with a vanilla ViT. Motivated by the universality of the Multi-layer Transformer architecture (e.g, GPT) widely used in large language models (LLMs), we seek to broaden its scope to serve as a powerful vision foundation model (VFM). However, unlike language modeling, visual tasks typically require specific modules, such as bounding box heads for detection and pixel decoders for segmentation, greatly hindering the application of powerful multi-layer transformers in the vision domain. To solve this, we design a universal language interface that empowers the successful auto-regressive decoding to adeptly unify various visual tasks, from image-level understanding (e.g., captioning), over sparse perception (e.g., detection), to dense prediction (e.g., segmentation). Based on the above designs, the entire model is composed solely of a ViT, without any specific additions, offering a remarkable architectural simplification. GiT is a multi-task visual model, jointly trained across five representative benchmarks without task-specific fine-tuning. Interestingly, our GiT builds a new benchmark in generalist performance, and fosters mutual enhancement across tasks, leading to significant improvements compared to isolated training. This reflects a similar impact observed in LLMs. Further enriching training with 27 datasets, GiT achieves strong zero-shot results over various tasks. Due to its simple design, this paradigm holds promise for narrowing the architectural gap between vision and language. Code and models will be available at https://github.com/Haiyang-W/GiT.

Structured pruning of modern large language models (LLMs) has emerged as a way of decreasing their high computational needs. Width pruning reduces the size of projection weight matrices (e.g., by removing attention heads) while maintaining the number of layers. Depth pruning, in contrast, removes entire layers or blocks, while keeping the size of the remaining weights unchanged. Most current research focuses on either width-only or a blend of width and depth pruning, with little comparative analysis between the two units (width vs. depth) concerning their impact on LLM inference efficiency. In this work, we show that a simple depth pruning approach can compete with recent width pruning methods in terms of zero-shot task performance. Our pruning method boosts inference speeds, especially under memory-constrained conditions that require limited batch sizes for running LLMs, where width pruning is ineffective. We hope this work can help deploy LLMs on local and edge devices.

We employ new tools from mechanistic interpretability in order to ask whether the internal structure of large language models (LLMs) shows correspondence to the linguistic structures which underlie the languages on which they are trained. In particular, we ask (1) when two languages employ the same morphosyntactic processes, do LLMs handle them using shared internal circuitry? and (2) when two languages require different morphosyntactic processes, do LLMs handle them using different internal circuitry? Using English and Chinese multilingual and monolingual models, we analyze the internal circuitry involved in two tasks. We find evidence that models employ the same circuit to handle the same syntactic process independently of the language in which it occurs, and that this is the case even for monolingual models trained completely independently. Moreover, we show that multilingual models employ language-specific components (attention heads and feed-forward networks) when needed to handle linguistic processes (e.g., morphological marking) that only exist in some languages. Together, our results provide new insights into how LLMs trade off between exploiting common structures and preserving linguistic differences when tasked with modeling multiple languages simultaneously.

Recently, Large language models (LLMs) have revolutionized Natural Language Processing (NLP). Pretrained LLMs, due to limited training context size, struggle with handling long token sequences, limiting their performance on various downstream tasks. Current solutions toward long context modeling often employ multi-stage continual pertaining, which progressively increases the effective context length through several continual pretraining stages. However, those approaches require extensive manual tuning and human expertise. In this paper, we introduce a novel single-stage continual pretraining method, Head-Adaptive Rotary Position Encoding (HARPE), to equip LLMs with long context modeling capabilities while simplifying the training process. Our HARPE leverages different Rotary Position Encoding (RoPE) base frequency values across different attention heads and directly trains LLMs on the target context length. Extensive experiments on 4 language modeling benchmarks, including the latest RULER benchmark, demonstrate that HARPE excels in understanding and integrating long-context tasks with single-stage training, matching and even outperforming existing multi-stage methods. Our results highlight that HARPE successfully breaks the stage barrier for training LLMs with long context modeling capabilities.

We introduce Orthus, an autoregressive (AR) transformer that excels in generating images given textual prompts, answering questions based on visual inputs, and even crafting lengthy image-text interleaved contents. Unlike prior arts on unified multimodal modeling, Orthus simultaneously copes with discrete text tokens and continuous image features under the AR modeling principle. The continuous treatment of visual signals minimizes the information loss for both image understanding and generation while the fully AR formulation renders the characterization of the correlation between modalities straightforward. The key mechanism enabling Orthus to leverage these advantages lies in its modality-specific heads -- one regular language modeling (LM) head predicts discrete text tokens and one diffusion head generates continuous image features conditioning on the output of the backbone. We devise an efficient strategy for building Orthus -- by substituting the Vector Quantization (VQ) operation in the existing unified AR model with a soft alternative, introducing a diffusion head, and tuning the added modules to reconstruct images, we can create an Orthus-base model effortlessly (e.g., within mere 72 A100 GPU hours). Orthus-base can further embrace post-training to better model interleaved images and texts. Empirically, Orthus surpasses competing baselines including Show-o and Chameleon across standard benchmarks, achieving a GenEval score of 0.58 and an MME-P score of 1265.8 using 7B parameters. Orthus also shows exceptional mixed-modality generation capabilities, reflecting the potential for handling intricate practical generation tasks.

This paper aims to overcome the "lost-in-the-middle" challenge of large language models (LLMs). While recent advancements have successfully enabled LLMs to perform stable language modeling with up to 4 million tokens, the persistent difficulty faced by most LLMs in identifying relevant information situated in the middle of the context has not been adequately tackled. To address this problem, this paper introduces Multi-scale Positional Encoding (Ms-PoE) which is a simple yet effective plug-and-play approach to enhance the capacity of LLMs to handle the relevant information located in the middle of the context, without fine-tuning or introducing any additional overhead. Ms-PoE leverages the position indice rescaling to relieve the long-term decay effect introduced by RoPE, while meticulously assigning distinct scaling ratios to different attention heads to preserve essential knowledge learned during the pre-training step, forming a multi-scale context fusion from short to long distance. Extensive experiments with a wide range of LLMs demonstrate the efficacy of our approach. Notably, Ms-PoE achieves an average accuracy gain of up to 3.8 on the Zero-SCROLLS benchmark over the original LLMs. Code are available at https://github.com/VITA-Group/Ms-PoE.

Large Vision-Language Models (VLMs) enable strong multimodal reasoning but incur heavy inference costs from redundant visual tokens. Token pruning alleviates this issue, yet existing approaches face limitations. Attention-based methods rely on raw attention scores, which are often unstable across layers and heads and can lead to redundant selections. Diversity-based methods improve robustness by selecting tokens far apart in feature space but risk dropping regions needed for accurate prediction. We propose \ours, a training-free framework built on a simple intuition: tokens with higher sensitivity are more likely to influence the model's output, and they should also capture complementary visual cues rather than overlapping information. To achieve this, we estimate token sensitivity using zeroth-order perturbations at the projection layer, a shallow and computationally light component of the model. This approach measures how small random perturbations affect the projection outputs, allowing us to approximate each token's influence through lightweight forward passes without backpropagation. Extensive experiments across multiple VLMs and benchmarks show that \ours consistently outperforms prior methods, pruning up to 94.4\% of tokens while maintaining accuracy and significantly improving efficiency, achieving up to 2.30x faster end-to-end inference over the baseline.

As large language models evolve, there is growing anticipation that they will emulate human-like Theory of Mind (ToM) to assist with routine tasks. However, existing methods for evaluating machine ToM focus primarily on unimodal models and largely treat these models as black boxes, lacking an interpretative exploration of their internal mechanisms. In response, this study adopts an approach based on internal mechanisms to provide an interpretability-driven assessment of ToM in multimodal large language models (MLLMs). Specifically, we first construct a multimodal ToM test dataset, GridToM, which incorporates diverse belief testing tasks and perceptual information from multiple perspectives. Next, our analysis shows that attention heads in multimodal large models can distinguish cognitive information across perspectives, providing evidence of ToM capabilities. Furthermore, we present a lightweight, training-free approach that significantly enhances the model's exhibited ToM by adjusting in the direction of the attention head.

The high power consumption and latency-sensitive deployments of large language models (LLMs) have motivated techniques like quantization and sparsity. Contextual sparsity, where the sparsity pattern is input-dependent, is crucial in LLMs because the permanent removal of attention heads or neurons from LLMs can significantly degrade accuracy. Prior work has attempted to model contextual sparsity using neural networks trained to predict activation magnitudes, which can be used to dynamically prune structures with low predicted activation magnitude. In this paper, we look beyond magnitude-based pruning criteria to assess attention head and neuron importance in LLMs. We developed a novel predictor called ShadowLLM, which can shadow the LLM behavior and enforce better sparsity patterns, resulting in over 15% improvement in end-to-end accuracy without increasing latency compared to previous methods. ShadowLLM achieves up to a 20\% speed-up over the state-of-the-art DejaVu framework. These enhancements are validated on models with up to 30 billion parameters. Our code is available at https://github.com/abdelfattah-lab/shadow_llm/{ShadowLLM}.