Daily Papers

We propose Low-Rank Sparse Attention (Lorsa), a sparse replacement model of Transformer attention layers to disentangle original Multi Head Self Attention (MHSA) into individually comprehensible components. Lorsa is designed to address the challenge of attention superposition to understand attention-mediated interaction between features in different token positions. We show that Lorsa heads find cleaner and finer-grained versions of previously discovered MHSA behaviors like induction heads, successor heads and attention sink behavior (i.e., heavily attending to the first token). Lorsa and Sparse Autoencoder (SAE) are both sparse dictionary learning methods applied to different Transformer components, and lead to consistent findings in many ways. For instance, we discover a comprehensive family of arithmetic-specific Lorsa heads, each corresponding to an atomic operation in Llama-3.1-8B. Automated interpretability analysis indicates that Lorsa achieves parity with SAE in interpretability while Lorsa exhibits superior circuit discovery properties, especially for features computed collectively by multiple MHSA heads. We also conduct extensive experiments on architectural design ablation, Lorsa scaling law and error analysis.

There has been an explosion of interest in designing high-performance Transformers. While Transformers have delivered significant performance improvements, training such networks is extremely memory intensive owing to storing all intermediate activations that are needed for gradient computation during backpropagation, especially for long sequences. To this end, we present Mesa, a memory-saving training framework for Transformers. Specifically, Mesa uses exact activations during forward pass while storing a low-precision version of activations to reduce memory consumption during training. The low-precision activations are then dequantized during back-propagation to compute gradients. Besides, to address the heterogeneous activation distributions in the multi-head self-attention layers, we propose a head-wise activation quantization strategy, which quantizes activations based on the statistics of each head to minimize the approximation error. To further boost training efficiency, we learn quantization parameters by running estimates. More importantly, by re-investing the saved memory in employing a larger batch size or scaling up model size, we may further improve the performance under constrained computational resources. Extensive experiments on ImageNet, CIFAR-100 and ADE20K demonstrate that Mesa can achieve flexible memory-savings (up to 50%) during training while achieving comparable or even better performance. Code is available at https://github.com/ziplab/Mesa.

Continual Learning (CL) involves training a machine learning model in a sequential manner to learn new information while retaining previously learned tasks without the presence of previous training data. Although there has been significant interest in CL, most recent CL approaches in computer vision have focused on convolutional architectures only. However, with the recent success of vision transformers, there is a need to explore their potential for CL. Although there have been some recent CL approaches for vision transformers, they either store training instances of previous tasks or require a task identifier during test time, which can be limiting. This paper proposes a new exemplar-free approach for class/task incremental learning called ConTraCon, which does not require task-id to be explicitly present during inference and avoids the need for storing previous training instances. The proposed approach leverages the transformer architecture and involves re-weighting the key, query, and value weights of the multi-head self-attention layers of a transformer trained on a similar task. The re-weighting is done using convolution, which enables the approach to maintain low parameter requirements per task. Additionally, an image augmentation-based entropic task identification approach is used to predict tasks without requiring task-ids during inference. Experiments on four benchmark datasets demonstrate that the proposed approach outperforms several competitive approaches while requiring fewer parameters.

Accurate hand pose estimation is vital in robotics, advancing dexterous manipulation in human-computer interaction. Toward this goal, this paper presents ReJSHand (which stands for Refined Joint and Skeleton Features), a cutting-edge network formulated for real-time hand pose estimation and mesh reconstruction. The proposed framework is designed to accurately predict 3D hand gestures under real-time constraints, which is essential for systems that demand agile and responsive hand motion tracking. The network's design prioritizes computational efficiency without compromising accuracy, a prerequisite for instantaneous robotic interactions. Specifically, ReJSHand comprises a 2D keypoint generator, a 3D keypoint generator, an expansion block, and a feature interaction block for meticulously reconstructing 3D hand poses from 2D imagery. In addition, the multi-head self-attention mechanism and a coordinate attention layer enhance feature representation, streamlining the creation of hand mesh vertices through sophisticated feature mapping and linear transformation. Regarding performance, comprehensive evaluations on the FreiHand dataset demonstrate ReJSHand's computational prowess. It achieves a frame rate of 72 frames per second while maintaining a PA-MPJPE (Position-Accurate Mean Per Joint Position Error) of 6.3 mm and a PA-MPVPE (Position-Accurate Mean Per Vertex Position Error) of 6.4 mm. Moreover, our model reaches scores of 0.756 for F@05 and 0.984 for F@15, surpassing modern pipelines and solidifying its position at the forefront of robotic hand pose estimators. To facilitate future studies, we provide our source code at ~https://github.com/daishipeng/ReJSHand.

This paper explores three novel approaches to improve the performance of speaker verification (SV) systems based on deep neural networks (DNN) using Multi-head Self-Attention (MSA) mechanisms and memory layers. Firstly, we propose the use of a learnable vector called Class token to replace the average global pooling mechanism to extract the embeddings. Unlike global average pooling, our proposal takes into account the temporal structure of the input what is relevant for the text-dependent SV task. The class token is concatenated to the input before the first MSA layer, and its state at the output is used to predict the classes. To gain additional robustness, we introduce two approaches. First, we have developed a Bayesian estimation of the class token. Second, we have added a distilled representation token for training a teacher-student pair of networks using the Knowledge Distillation (KD) philosophy, which is combined with the class token. This distillation token is trained to mimic the predictions from the teacher network, while the class token replicates the true label. All the strategies have been tested on the RSR2015-Part II and DeepMine-Part 1 databases for text-dependent SV, providing competitive results compared to the same architecture using the average pooling mechanism to extract average embeddings.

The recent emergence of hybrid models has introduced a transformative approach to computer vision, gradually moving beyond conventional convolutional neural networks and vision transformers. However, efficiently combining these two approaches to better capture long-range dependencies in complex images remains a challenge. In this paper, we present iiANET (Inception Inspired Attention Network), an efficient hybrid visual backbone designed to improve the modeling of long-range dependencies in complex visual recognition tasks. The core innovation of iiANET is the iiABlock, a unified building block that integrates a modified global r-MHSA (Multi-Head Self-Attention) and convolutional layers in parallel. This design enables iiABlock to simultaneously capture global context and local details, making it effective for extracting rich and diverse features. By efficiently fusing these complementary representations, iiABlock allows iiANET to achieve strong feature interaction while maintaining computational efficiency. Extensive qualitative and quantitative evaluations on some SOTA benchmarks demonstrate improved performance.

This paper introduces ConvShareViT, a novel deep learning architecture that adapts Vision Transformers (ViTs) to the 4f free-space optical system. ConvShareViT replaces linear layers in multi-head self-attention (MHSA) and Multilayer Perceptrons (MLPs) with a depthwise convolutional layer with shared weights across input channels. Through the development of ConvShareViT, the behaviour of convolutions within MHSA and their effectiveness in learning the attention mechanism were analysed systematically. Experimental results demonstrate that certain configurations, particularly those using valid-padded shared convolutions, can successfully learn attention, achieving comparable attention scores to those obtained with standard ViTs. However, other configurations, such as those using same-padded convolutions, show limitations in attention learning and operate like regular CNNs rather than transformer models. ConvShareViT architectures are specifically optimised for the 4f optical system, which takes advantage of the parallelism and high-resolution capabilities of optical systems. Results demonstrate that ConvShareViT can theoretically achieve up to 3.04 times faster inference than GPU-based systems. This potential acceleration makes ConvShareViT an attractive candidate for future optical deep learning applications and proves that our ViT (ConvShareViT) can be employed using only the convolution operation, via the necessary optimisation of the ViT to balance performance and complexity.

Large language models (LLMs) show excellent performance in difficult tasks, but they often require massive memories and computational resources. How to reduce the parameter scale of LLMs has become research hotspots. In this study, we make an important observation that the multi-head self-attention (MHA) sub-layer of Transformer exhibits noticeable low-rank structure, while the feed-forward network (FFN) sub-layer does not. With this regard, we design a mixed compression model, which organically combines Low-Rank matrix approximation And structured Pruning (LoRAP). For the MHA sub-layer, we propose an input activation weighted singular value decomposition method to strengthen the low-rank characteristic. Furthermore, we discover that the weight matrices in MHA sub-layer have different low-rank degrees. Thus, a novel parameter allocation scheme according to the discrepancy of low-rank degrees is devised. For the FFN sub-layer, we propose a gradient-free structured channel pruning method. During the pruning, we get an interesting finding that the least important 1% of parameter actually play a vital role in model performance. Extensive evaluations on zero-shot perplexity and zero-shot task classification indicate that our proposal is superior to previous structured compression rivals under multiple compression ratios.

Despite significant advances in deep learning, current Handwritten Text Recognition (HTR) systems struggle with the inherent complexity of historical documents, including diverse writing styles, degraded text quality, and computational efficiency requirements across multiple languages and time periods. This paper introduces HTR-JAND (HTR-JAND: Handwritten Text Recognition with Joint Attention Network and Knowledge Distillation), an efficient HTR framework that combines advanced feature extraction with knowledge distillation. Our architecture incorporates three key components: (1) a CNN architecture integrating FullGatedConv2d layers with Squeeze-and-Excitation blocks for adaptive feature extraction, (2) a Combined Attention mechanism fusing Multi-Head Self-Attention with Proxima Attention for robust sequence modeling, and (3) a Knowledge Distillation framework enabling efficient model compression while preserving accuracy through curriculum-based training. The HTR-JAND framework implements a multi-stage training approach combining curriculum learning, synthetic data generation, and multi-task learning for cross-dataset knowledge transfer. We enhance recognition accuracy through context-aware T5 post-processing, particularly effective for historical documents. Comprehensive evaluations demonstrate HTR-JAND's effectiveness, achieving state-of-the-art Character Error Rates (CER) of 1.23\%, 1.02\%, and 2.02\% on IAM, RIMES, and Bentham datasets respectively. Our Student model achieves a 48\% parameter reduction (0.75M versus 1.5M parameters) while maintaining competitive performance through efficient knowledge transfer. Source code and pre-trained models are available at https://github.com/DocumentRecognitionModels/HTR-JAND{Github}.

This paper presents MiniGPT, a compact from-scratch implementation of GPT-style autoregressive language modeling in PyTorch. The aim is to rebuild the core GPT pipeline from first principles after studying the design of nanoGPT by Andrej Karpathy, while keeping the model and training code independently written in a single notebook. MiniGPT implements token and positional embeddings, causal multi-head self-attention, pre-LayerNorm Transformer blocks, residual connections, feed-forward MLP layers, next-token cross-entropy training (teacher forcing), validation tracking, checkpoint selection, and autoregressive text generation. This paper evaluates the implementation on Tiny Shakespeare dataset using character-level tokenization. A baseline 0.83M-parameter model reaches a validation loss of 1.7236 after 3000 training iterations. A stronger 10.77M-parameter configuration, using a larger context length and improved training settings, reaches a best validation loss of 1.4780 and generates text with recognizable Shakespeare-style dialogue structure. MiniGPT does not introduce a new language-model architecture. Instead, it documents a clear and reproducible implementation path from raw text to trained character-level generation, including design choices, training behavior, generation quality, and practical limitations.

Despite the remarkable advancements of Large Vision-Language Models (LVLMs), the mechanistic interpretability remains underexplored. Existing analyses are insufficiently comprehensive and lack examination covering visual and textual tokens, model components, and the full range of layers. This limitation restricts actionable insights to improve the faithfulness of model output and the development of downstream tasks, such as hallucination mitigation. To address this limitation, we introduce Fine-grained Cross-modal Causal Tracing (FCCT) framework, which systematically quantifies the causal effects on visual object perception. FCCT conducts fine-grained analysis covering the full range of visual and textual tokens, three core model components including multi-head self-attention (MHSA), feed-forward networks (FFNs), and hidden states, across all decoder layers. Our analysis is the first to demonstrate that MHSAs of the last token in middle layers play a critical role in aggregating cross-modal information, while FFNs exhibit a three-stage hierarchical progression for the storage and transfer of visual object representations. Building on these insights, we propose Intermediate Representation Injection (IRI), a training-free inference-time technique that reinforces visual object information flow by precisely intervening on cross-modal representations at specific components and layers, thereby enhancing perception and mitigating hallucination. Consistent improvements across five widely used benchmarks and LVLMs demonstrate IRI achieves state-of-the-art performance, while preserving inference speed and other foundational performance.

We present a novel dual-head deep learning architecture for protein-protein interaction modeling that enables simultaneous prediction of binding affinity (ΔG) and mutation-induced affinity changes (ΔΔG) using only protein sequence information. Our approach offers a significant advancement over existing methods by employing specialized prediction heads that operate on a shared representation network, allowing direct and optimized prediction of both values. To ensure robust generalization, we integrated complementary datasets from SKEMPI v2 and PDBbind with a rigorous protein domain-based splitting strategy that prevents information leakage between training and validation sets. Our architecture combines transformer-based encoders with a novel cross-attention mechanism that processes paired protein sequences directly, without requiring any structural information. The network embeds input sequences using ESM3 representations, then employs a learnable sliced window embedding layer to manage variable-length sequences efficiently. A multi-layer transformer encoder with bidirectional self-attention captures intra-protein patterns, while cross-attention layers enable explicit modeling of interactions between protein pairs. This shared representation network feeds into separate ΔG and ΔΔG prediction heads, allowing task-specific optimization while leveraging common features. The model achieves ΔΔG validation of Pearson correlation at 0.485, while maintaining strong ΔG predictions (Pearson: 0.638). While existing approaches require protein structure data and binding interface information, our model eliminates these constraints. This provides a critical advantage for the numerous proteins with unknown structures or those challenging to crystallize, such as viral and intrinsically disordered proteins.

Multi-vector vision-language retrievers enable fine-grained Visual Document Retrieval (VDR) through late interaction, but storing and scoring hundreds of visual patch embeddings per page incurs substantial overhead. Existing training-free methods rely on pruning or merging: pruning degrades sharply under aggressive compression, whereas merging does not explicitly prioritize important regions when forming representatives. We introduce AnchorFold, a training-free focus-then-fold framework for document-side index compression. AnchorFold applies Recursive Attention Propagation over visual self-attention graphs, performing multi-step propagation within each attention head and integrating scores across heads and layers. The focus stage selects the highest-centrality tokens as anchors. The fold stage assigns remaining tokens to their most similar anchors in the normalized retrieval space and summarizes each anchor-centered group through centrality-weighted aggregation. This preserves non-anchor contributions while concentrating capacity on structurally important tokens. Across ViDoRe v1/v2 and REAL-MM-RAG with three diverse retrieval backbones, AnchorFold consistently outperforms all evaluated training-free baselines at γleq 0.20. On ViDoRe v1/v2, it retains 98.3% of full-index NDCG@5 on average at 5times compression, achieving near-lossless compression, and 92.4% at 20times compression.

Long-context inference enhances the reasoning capability of Large Language Models (LLMs), but incurs significant computational overhead. Token-oriented methods, such as pruning and skipping, have shown great promise in reducing inference latency, yet still suffer from inherently insufficient structure optimization, outdated selection criteria, and redundancy interference, resulting in suboptimal speed-accuracy trade-off. To address these issues, we propose a novel training-free framework dubbed Self-Predictive Token Skipping (SPTS), for efficient long-context LLM inference. Specifically, motivated by probing the influence of target layers prior to skipping, we design two selective token skipping strategies for typical structures, including Partial Attention Probing (PAP) for multi-head attention and Low-rank Transformation Probing (LTP) for feed forward network. The former selects informative tokens via partial forward attention computation, while the latter constructs a low-rank proxy network to predict token transformations. In addition, a Multi-Stage Delayed Pruning (MSDP) strategy reallocates skipping budgets and progressively removes redundant tokens across layers. Extensive experiments display the effectiveness of our method, achieving up to 2.46times and 2.29times speedups for prefilling and end-to-end generation, respectively, while maintaining state-of-the-art accuracy. We will release the source code upon acceptance.

Effective representation learning from text has been an active area of research in the fields of NLP and text mining. Attention mechanisms have been at the forefront in order to learn contextual sentence representations. Current state-of-the-art approaches for many NLP tasks use large pre-trained language models such as BERT, XLNet and so on for learning representations. These models are based on the Transformer architecture that involves recurrent blocks of computation consisting of multi-head self-attention and feedforward networks. One of the major bottlenecks largely contributing to the computational complexity of the Transformer models is the self-attention layer, that is both computationally expensive and parameter intensive. In this work, we introduce a novel multi-head self-attention mechanism operating on GRUs that is shown to be computationally cheaper and more parameter efficient than self-attention mechanism proposed in Transformers for text classification tasks. The efficiency of our approach mainly stems from two optimizations; 1) we use low-rank matrix factorization of the affinity matrix to efficiently get multiple attention distributions instead of having separate parameters for each head 2) attention scores are obtained by querying a global context vector instead of densely querying all the words in the sentence. We evaluate the performance of the proposed model on tasks such as sentiment analysis from movie reviews, predicting business ratings from reviews and classifying news articles into topics. We find that the proposed approach matches or outperforms a series of strong baselines and is more parameter efficient than comparable multi-head approaches. We also perform qualitative analyses to verify that the proposed approach is interpretable and captures context-dependent word importance.

Vision Transformers (ViTs) have triggered the most recent and significant breakthroughs in computer vision. Their efficient designs are mostly guided by the indirect metric of computational complexity, i.e., FLOPs, which however has a clear gap with the direct metric such as throughput. Thus, we propose to use the direct speed evaluation on the target platform as the design principle for efficient ViTs. Particularly, we introduce LITv2, a simple and effective ViT which performs favourably against the existing state-of-the-art methods across a spectrum of different model sizes with faster speed. At the core of LITv2 is a novel self-attention mechanism, which we dub HiLo. HiLo is inspired by the insight that high frequencies in an image capture local fine details and low frequencies focus on global structures, whereas a multi-head self-attention layer neglects the characteristic of different frequencies. Therefore, we propose to disentangle the high/low frequency patterns in an attention layer by separating the heads into two groups, where one group encodes high frequencies via self-attention within each local window, and another group encodes low frequencies by performing global attention between the average-pooled low-frequency keys and values from each window and each query position in the input feature map. Benefiting from the efficient design for both groups, we show that HiLo is superior to the existing attention mechanisms by comprehensively benchmarking FLOPs, speed and memory consumption on GPUs and CPUs. For example, HiLo is 1.4x faster than spatial reduction attention and 1.6x faster than local window attention on CPUs. Powered by HiLo, LITv2 serves as a strong backbone for mainstream vision tasks including image classification, dense detection and segmentation. Code is available at https://github.com/ziplab/LITv2.

In recent years, the use of multi-modal pre-trained Transformers has led to significant advancements in visually-rich document understanding. However, existing models have mainly focused on features such as text and vision while neglecting the importance of layout relationship between text nodes. In this paper, we propose GraphLayoutLM, a novel document understanding model that leverages the modeling of layout structure graph to inject document layout knowledge into the model. GraphLayoutLM utilizes a graph reordering algorithm to adjust the text sequence based on the graph structure. Additionally, our model uses a layout-aware multi-head self-attention layer to learn document layout knowledge. The proposed model enables the understanding of the spatial arrangement of text elements, improving document comprehension. We evaluate our model on various benchmarks, including FUNSD, XFUND and CORD, and achieve state-of-the-art results among these datasets. Our experimental results demonstrate that our proposed method provides a significant improvement over existing approaches and showcases the importance of incorporating layout information into document understanding models. We also conduct an ablation study to investigate the contribution of each component of our model. The results show that both the graph reordering algorithm and the layout-aware multi-head self-attention layer play a crucial role in achieving the best performance.

As the quality of optical sensors improves, there is a need for processing large-scale images. In particular, the ability of devices to capture ultra-high definition (UHD) images and video places new demands on the image processing pipeline. In this paper, we consider the task of low-light image enhancement (LLIE) and introduce a large-scale database consisting of images at 4K and 8K resolution. We conduct systematic benchmarking studies and provide a comparison of current LLIE algorithms. As a second contribution, we introduce LLFormer, a transformer-based low-light enhancement method. The core components of LLFormer are the axis-based multi-head self-attention and cross-layer attention fusion block, which significantly reduces the linear complexity. Extensive experiments on the new dataset and existing public datasets show that LLFormer outperforms state-of-the-art methods. We also show that employing existing LLIE methods trained on our benchmark as a pre-processing step significantly improves the performance of downstream tasks, e.g., face detection in low-light conditions. The source code and pre-trained models are available at https://github.com/TaoWangzj/LLFormer.

We generalize deep self-attention distillation in MiniLM (Wang et al., 2020) by only using self-attention relation distillation for task-agnostic compression of pretrained Transformers. In particular, we define multi-head self-attention relations as scaled dot-product between the pairs of query, key, and value vectors within each self-attention module. Then we employ the above relational knowledge to train the student model. Besides its simplicity and unified principle, more favorably, there is no restriction in terms of the number of student's attention heads, while most previous work has to guarantee the same head number between teacher and student. Moreover, the fine-grained self-attention relations tend to fully exploit the interaction knowledge learned by Transformer. In addition, we thoroughly examine the layer selection strategy for teacher models, rather than just relying on the last layer as in MiniLM. We conduct extensive experiments on compressing both monolingual and multilingual pretrained models. Experimental results demonstrate that our models distilled from base-size and large-size teachers (BERT, RoBERTa and XLM-R) outperform the state-of-the-art.

This paper investigates a self-adaptation method for speech enhancement using auxiliary speaker-aware features; we extract a speaker representation used for adaptation directly from the test utterance. Conventional studies of deep neural network (DNN)--based speech enhancement mainly focus on building a speaker independent model. Meanwhile, in speech applications including speech recognition and synthesis, it is known that model adaptation to the target speaker improves the accuracy. Our research question is whether a DNN for speech enhancement can be adopted to unknown speakers without any auxiliary guidance signal in test-phase. To achieve this, we adopt multi-task learning of speech enhancement and speaker identification, and use the output of the final hidden layer of speaker identification branch as an auxiliary feature. In addition, we use multi-head self-attention for capturing long-term dependencies in the speech and noise. Experimental results on a public dataset show that our strategy achieves the state-of-the-art performance and also outperform conventional methods in terms of subjective quality.

We propose Dynamic Rank Reinforcement Learning (DR-RL), a novel framework that adaptively optimizes the low-rank factorization of Multi-Head Self-Attention (MHSA) in Large Language Models (LLMs) through the integration of reinforcement learning and online matrix perturbation theory. While traditional low-rank approximations often rely on static rank assumptions--limiting their flexibility across diverse input contexts--our method dynamically selects ranks based on real-time sequence dynamics, layer-specific sensitivities, and hardware constraints. The core innovation lies in an RL agent that formulates rank selection as a sequential policy optimization problem, where the reward function strictly balances attention fidelity against computational latency. Crucially, we employ online matrix perturbation bounds to enable incremental rank updates, thereby avoiding the prohibitive cost of full decomposition during inference. Furthermore, the integration of a lightweight Transformer-based policy network and batched Singular Value Decomposition (SVD) operations ensures scalable deployment on modern GPU architectures. Experiments demonstrate that DR-RL maintains downstream accuracy statistically equivalent to full-rank attention while significantly reducing Floating Point Operations (FLOPs), particularly in long-sequence regimes (L > 4096). This work bridges the gap between adaptive efficiency and theoretical rigor in MHSA, offering a principled, mathematically grounded alternative to heuristic rank reduction techniques in resource-constrained deep learning. Source code and experiment logs are available at: https://github.com/canererden/DR_RL_Project

Chronic Low Back Pain (CLBP) afflicts millions globally, significantly impacting individuals' well-being and imposing economic burdens on healthcare systems. While artificial intelligence (AI) and deep learning offer promising avenues for analyzing pain-related behaviors to improve rehabilitation strategies, current models, including convolutional neural networks (CNNs), recurrent neural networks, and graph-based neural networks, have limitations. These approaches often focus singularly on the temporal dimension or require complex architectures to exploit spatial interrelationships within multivariate time series data. To address these limitations, we introduce L-SFAN, a lightweight CNN architecture incorporating 2D filters designed to meticulously capture the spatial-temporal interplay of data from motion capture and surface electromyography sensors. Our proposed model, enhanced with an oriented global pooling layer and multi-head self-attention mechanism, prioritizes critical features to better understand CLBP and achieves competitive classification accuracy. Experimental results on the EmoPain database demonstrate that our approach not only enhances performance metrics with significantly fewer parameters but also promotes model interpretability, offering valuable insights for clinicians in managing CLBP. This advancement underscores the potential of AI in transforming healthcare practices for chronic conditions like CLBP, providing a sophisticated framework for the nuanced analysis of complex biomedical data.

Production LLM systems often rely on separate models for safety and other classification-heavy steps, increasing latency, VRAM footprint, and operational complexity. We instead reuse computation already paid for by the serving LLM: we train lightweight probes on its hidden states and predict labels in the same forward pass used for generation. We frame classification as representation selection over the full token-layer hidden-state tensor, rather than committing to a fixed token or fixed layer (e.g., first-token logits or final-layer pooling). To implement this, we introduce a two-stage aggregator that (i) summarizes tokens within each layer and (ii) aggregates across layer summaries to form a single representation for classification. We instantiate this template with direct pooling, a 100K-parameter scoring-attention gate, and a downcast multi-head self-attention (MHA) probe with up to 35M trainable parameters. Across safety and sentiment benchmarks our probes improve over logit-only reuse (e.g., MULI) and are competitive with substantially larger task-specific baselines, while preserving near-serving latency and avoiding the VRAM and latency costs of a separate guard-model pipeline.

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

Recent studies have observed that intermediate layers of foundation models often yield more discriminative representations than the final layer. While initially attributed to autoregressive pretraining, this phenomenon has also been identified in models trained via supervised and discriminative self-supervised objectives. In this paper, we conduct a comprehensive study to analyze the behavior of intermediate layers in pretrained vision transformers. Through extensive linear probing experiments across a diverse set of image classification benchmarks, we find that distribution shift between pretraining and downstream data is the primary cause of performance degradation in deeper layers. Furthermore, we perform a fine-grained analysis at the module level. Our findings reveal that standard probing of transformer block outputs is suboptimal; instead, probing the activation within the feedforward network yields the best performance under significant distribution shift, whereas the normalized output of the multi-head self-attention module is optimal when the shift is weak.

Vision Transformers (ViTs) are normally regarded as a stack of transformer layers. In this work, we propose a novel view of ViTs showing that they can be seen as ensemble networks containing multiple parallel paths with different lengths. Specifically, we equivalently transform the traditional cascade of multi-head self-attention (MSA) and feed-forward network (FFN) into three parallel paths in each transformer layer. Then, we utilize the identity connection in our new transformer form and further transform the ViT into an explicit multi-path ensemble network. From the new perspective, these paths perform two functions: the first is to provide the feature for the classifier directly, and the second is to provide the lower-level feature representation for subsequent longer paths. We investigate the influence of each path for the final prediction and discover that some paths even pull down the performance. Therefore, we propose the path pruning and EnsembleScale skills for improvement, which cut out the underperforming paths and re-weight the ensemble components, respectively, to optimize the path combination and make the short paths focus on providing high-quality representation for subsequent paths. We also demonstrate that our path combination strategies can help ViTs go deeper and act as high-pass filters to filter out partial low-frequency signals. To further enhance the representation of paths served for subsequent paths, self-distillation is applied to transfer knowledge from the long paths to the short paths. This work calls for more future research to explain and design ViTs from new perspectives.

Fusion is a technique for merging multiple independently-trained neural networks in order to combine their capabilities. Past attempts have been restricted to the case of fully-connected, convolutional, and residual networks. In this paper, we present a systematic approach for fusing two or more transformer-based networks exploiting Optimal Transport to (soft-)align the various architectural components. We flesh out an abstraction for layer alignment, that can generalize to arbitrary architectures -- in principle -- and we apply this to the key ingredients of Transformers such as multi-head self-attention, layer-normalization, and residual connections, and we discuss how to handle them via various ablation studies. Furthermore, our method allows the fusion of models of different sizes (heterogeneous fusion), providing a new and efficient way for compression of Transformers. The proposed approach is evaluated on both image classification tasks via Vision Transformer and natural language modeling tasks using BERT. Our approach consistently outperforms vanilla fusion, and, after a surprisingly short finetuning, also outperforms the individual converged parent models. In our analysis, we uncover intriguing insights about the significant role of soft alignment in the case of Transformers. Our results showcase the potential of fusing multiple Transformers, thus compounding their expertise, in the budding paradigm of model fusion and recombination.

In this paper, we contend that a natural objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a low-dimensional Gaussian mixture supported on incoherent subspaces. The goodness of such a representation can be evaluated by a principled measure, called sparse rate reduction, that simultaneously maximizes the intrinsic information gain and extrinsic sparsity of the learned representation. From this perspective, popular deep network architectures, including transformers, can be viewed as realizing iterative schemes to optimize this measure. Particularly, we derive a transformer block from alternating optimization on parts of this objective: the multi-head self-attention operator compresses the representation by implementing an approximate gradient descent step on the coding rate of the features, and the subsequent multi-layer perceptron sparsifies the features. This leads to a family of white-box transformer-like deep network architectures, named CRATE, which are mathematically fully interpretable. We show, by way of a novel connection between denoising and compression, that the inverse to the aforementioned compressive encoding can be realized by the same class of CRATE architectures. Thus, the so-derived white-box architectures are universal to both encoders and decoders. Experiments show that these networks, despite their simplicity, indeed learn to compress and sparsify representations of large-scale real-world image and text datasets, and achieve performance very close to highly engineered transformer-based models: ViT, MAE, DINO, BERT, and GPT2. We believe the proposed computational framework demonstrates great potential in bridging the gap between theory and practice of deep learning, from a unified perspective of data compression. Code is available at: https://ma-lab-berkeley.github.io/CRATE .

In this paper, we contend that the objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a mixture of low-dimensional Gaussian distributions supported on incoherent subspaces. The quality of the final representation can be measured by a unified objective function called sparse rate reduction. From this perspective, popular deep networks such as transformers can be naturally viewed as realizing iterative schemes to optimize this objective incrementally. Particularly, we show that the standard transformer block can be derived from alternating optimization on complementary parts of this objective: the multi-head self-attention operator can be viewed as a gradient descent step to compress the token sets by minimizing their lossy coding rate, and the subsequent multi-layer perceptron can be viewed as attempting to sparsify the representation of the tokens. This leads to a family of white-box transformer-like deep network architectures which are mathematically fully interpretable. Despite their simplicity, experiments show that these networks indeed learn to optimize the designed objective: they compress and sparsify representations of large-scale real-world vision datasets such as ImageNet, and achieve performance very close to thoroughly engineered transformers such as ViT. Code is at https://github.com/Ma-Lab-Berkeley/CRATE.

We study the capacity of the self-attention key-query channel: for a fixed budget, how many distinct token-token relations can a single layer reliably encode? We introduce Relational Graph Recognition, where the key-query channel encodes a directed graph and, given a context (a subset of the vertices), must recover the neighbors of each vertex in the context. We measure resources by the total key dimension D_K = h,d_k. In a tractable multi-head model, we prove matching information-theoretic lower bounds and upper bounds via explicit constructions showing that recovering a graph with m' relations in d_{model}-dimensional embeddings requires D_K to grow essentially as m'/d_{model} up to logarithmic factors, and we obtain corresponding guarantees for scaled-softmax attention. This analysis yields a new, capacity-based rationale for multi-head attention: even in permutation graphs, where all queries attend to a single target, splitting a fixed D_K budget into multiple heads increases capacity by reducing interference from embedding superposition. Controlled experiments mirror the theory, revealing sharp phase transitions at the predicted capacity, and the multi-head advantage persists when adding softmax normalization, value routing, and a full Transformer block trained with frozen GPT-2 embeddings.

We present FabriVLA, a lightweight Vision-Language-Action model for Precise Multi-Task Manipulation. FabriVLA combines an InternVL3.5 vision-language backbone with a flow-matching action head featuring gated self-attention across action tokens and shallow VLM layer fusion for enriched spatial context. The model is trained via single stage joint optimization from a pretrained VLM and randomly initialized action head. On the Meta-World MT50 benchmark spanning 50 diverse manipulation tasks, FabriVLA achieves a tier-average success rate of 90.0%, demonstrating that a compact VLA built on a 1B scale VLM can achieve strong performance without relying on multi billion parameter VLA backbones.

Advances in voice conversion and text-to-speech synthesis have made automatic speaker verification (ASV) systems more susceptible to spoofing attacks. This work explores modest refinements to the AASIST anti-spoofing architecture. It incorporates a frozen Wav2Vec 2.0 encoder to retain self-supervised speech representations in limited-data settings, substitutes the original graph attention block with a standardized multi-head attention module using heterogeneous query projections, and replaces heuristic frame-segment fusion with a trainable, context-aware integration layer. When evaluated on the ASVspoof 5 corpus, the proposed system reaches a 7.6\% equal error rate (EER), improving on a re-implemented AASIST baseline under the same training conditions. Ablation experiments suggest that each architectural change contributes to the overall performance, indicating that targeted adjustments to established models may help strengthen speech deepfake detection in practical scenarios. The code is publicly available at https://github.com/KORALLLL/AASIST_SCALING.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

The Position Embedding (PE) is critical for Vision Transformers (VTs) due to the permutation-invariance of self-attention operation. By analyzing the input and output of each encoder layer in VTs using reparameterization and visualization, we find that the default PE joining method (simply adding the PE and patch embedding together) operates the same affine transformation to token embedding and PE, which limits the expressiveness of PE and hence constrains the performance of VTs. To overcome this limitation, we propose a simple, effective, and robust method. Specifically, we provide two independent layer normalizations for token embeddings and PE for each layer, and add them together as the input of each layer's Muti-Head Self-Attention module. Since the method allows the model to adaptively adjust the information of PE for different layers, we name it as Layer-adaptive Position Embedding, abbreviated as LaPE. Extensive experiments demonstrate that LaPE can improve various VTs with different types of PE and make VTs robust to PE types. For example, LaPE improves 0.94% accuracy for ViT-Lite on Cifar10, 0.98% for CCT on Cifar100, and 1.72% for DeiT on ImageNet-1K, which is remarkable considering the negligible extra parameters, memory and computational cost brought by LaPE. The code is publicly available at https://github.com/Ingrid725/LaPE.

Diffusion-based image translation guided by semantic texts or a single target image has enabled flexible style transfer which is not limited to the specific domains. Unfortunately, due to the stochastic nature of diffusion models, it is often difficult to maintain the original content of the image during the reverse diffusion. To address this, here we present a novel diffusion-based unsupervised image translation method using disentangled style and content representation. Specifically, inspired by the splicing Vision Transformer, we extract intermediate keys of multihead self attention layer from ViT model and used them as the content preservation loss. Then, an image guided style transfer is performed by matching the [CLS] classification token from the denoised samples and target image, whereas additional CLIP loss is used for the text-driven style transfer. To further accelerate the semantic change during the reverse diffusion, we also propose a novel semantic divergence loss and resampling strategy. Our experimental results show that the proposed method outperforms state-of-the-art baseline models in both text-guided and image-guided translation tasks.

Attention is a powerful and ubiquitous mechanism for allowing neural models to focus on particular salient pieces of information by taking their weighted average when making predictions. In particular, multi-headed attention is a driving force behind many recent state-of-the-art NLP models such as Transformer-based MT models and BERT. These models apply multiple attention mechanisms in parallel, with each attention "head" potentially focusing on different parts of the input, which makes it possible to express sophisticated functions beyond the simple weighted average. In this paper we make the surprising observation that even if models have been trained using multiple heads, in practice, a large percentage of attention heads can be removed at test time without significantly impacting performance. In fact, some layers can even be reduced to a single head. We further examine greedy algorithms for pruning down models, and the potential speed, memory efficiency, and accuracy improvements obtainable therefrom. Finally, we analyze the results with respect to which parts of the model are more reliant on having multiple heads, and provide precursory evidence that training dynamics play a role in the gains provided by multi-head attention.

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.

We study how multi-head softmax attention models are trained to perform in-context learning on linear data. Through extensive empirical experiments and rigorous theoretical analysis, we demystify the emergence of elegant attention patterns: a diagonal and homogeneous pattern in the key-query (KQ) weights, and a last-entry-only and zero-sum pattern in the output-value (OV) weights. Remarkably, these patterns consistently appear from gradient-based training starting from random initialization. Our analysis reveals that such emergent structures enable multi-head attention to approximately implement a debiased gradient descent predictor -- one that outperforms single-head attention and nearly achieves Bayesian optimality up to proportional factor. Furthermore, compared to linear transformers, the softmax attention readily generalizes to sequences longer than those seen during training. We also extend our study to scenarios with non-isotropic covariates and multi-task linear regression. In the former, multi-head attention learns to implement a form of pre-conditioned gradient descent. In the latter, we uncover an intriguing regime where the interplay between head number and task number triggers a superposition phenomenon that efficiently resolves multi-task in-context learning. Our results reveal that in-context learning ability emerges from the trained transformer as an aggregated effect of its architecture and the underlying data distribution, paving the way for deeper understanding and broader applications of in-context learning.

Multi-head attention layers, as used in the Transformer neural sequence model, are a powerful alternative to RNNs for moving information across and between sequences. While training these layers is generally fast and simple, due to parallelizability across the length of the sequence, incremental inference (where such paralleization is impossible) is often slow, due to the memory-bandwidth cost of repeatedly loading the large "keys" and "values" tensors. We propose a variant called multi-query attention, where the keys and values are shared across all of the different attention "heads", greatly reducing the size of these tensors and hence the memory bandwidth requirements of incremental decoding. We verify experimentally that the resulting models can indeed be much faster to decode, and incur only minor quality degradation from the baseline.

Vision transformer (ViT) expands the success of transformer models from sequential data to images. The model decomposes an image into many smaller patches and arranges them into a sequence. Multi-head self-attentions are then applied to the sequence to learn the attention between patches. Despite many successful interpretations of transformers on sequential data, little effort has been devoted to the interpretation of ViTs, and many questions remain unanswered. For example, among the numerous attention heads, which one is more important? How strong are individual patches attending to their spatial neighbors in different heads? What attention patterns have individual heads learned? In this work, we answer these questions through a visual analytics approach. Specifically, we first identify what heads are more important in ViTs by introducing multiple pruning-based metrics. Then, we profile the spatial distribution of attention strengths between patches inside individual heads, as well as the trend of attention strengths across attention layers. Third, using an autoencoder-based learning solution, we summarize all possible attention patterns that individual heads could learn. Examining the attention strengths and patterns of the important heads, we answer why they are important. Through concrete case studies with experienced deep learning experts on multiple ViTs, we validate the effectiveness of our solution that deepens the understanding of ViTs from head importance, head attention strength, and head attention pattern.

Two principles: the complementary principle and the consensus principle are widely acknowledged in the literature of multi-view learning. However, the current design of multi-head self-attention, an instance of multi-view learning, prioritizes the complementarity while ignoring the consensus. To address this problem, we propose an enhanced multi-head self-attention (EMHA). First, to satisfy the complementary principle, EMHA removes the one-to-one mapping constraint among queries and keys in multiple subspaces and allows each query to attend to multiple keys. On top of that, we develop a method to fully encourage consensus among heads by introducing two interaction models, namely inner-subspace interaction and cross-subspace interaction. Extensive experiments on a wide range of language tasks (e.g., machine translation, abstractive summarization and grammar correction, language modeling), show its superiority, with a very modest increase in model size. Our code would be available at: https://github.com/zhengkid/EIT-Enhanced-Interactive-Transformer.

In large language models built upon the Transformer architecture, recent studies have shown that inter-head interaction can enhance attention performance. Motivated by this, we propose Multi-head Explicit Attention (MEA), a simple yet effective attention variant that explicitly models cross-head interaction. MEA consists of two key components: a Head-level Linear Composition (HLC) module that separately applies learnable linear combinations to the key and value vectors across heads, thereby enabling rich inter-head communication; and a head-level Group Normalization layer that aligns the statistical properties of the recombined heads. MEA shows strong robustness in pretraining, which allows the use of larger learning rates that lead to faster convergence, ultimately resulting in lower validation loss and improved performance across a range of tasks. Furthermore, we explore the parameter efficiency of MEA by reducing the number of attention heads and leveraging HLC to reconstruct them using low-rank "virtual heads". This enables a practical key-value cache compression strategy that reduces KV-cache memory usage by 50% with negligible performance loss on knowledge-intensive and scientific reasoning tasks, and only a 3.59% accuracy drop for Olympiad-level mathematical benchmarks.

Scaling pre-trained language models has resulted in large performance gains in various natural language processing tasks but comes with a large cost in memory requirements. Inspired by the position embeddings in transformers, we aim to simplify and reduce the memory footprint of the multi-head attention (MHA) mechanism. We propose an alternative module that uses only a single shared projection matrix and multiple head embeddings (MHE), i.e. one per head. We empirically demonstrate that our MHE attention is substantially more memory efficient compared to alternative attention mechanisms while achieving high predictive performance retention ratio to vanilla MHA on several downstream tasks. MHE attention only requires a negligible fraction of additional parameters (3nd, where n is the number of attention heads and d the size of the head embeddings) compared to a single-head attention, while MHA requires (3n^2-3n)d^2-3nd additional parameters.

In this work, we upgrade the multi-head attention mechanism, the core of the Transformer model, to improve efficiency while maintaining or surpassing the previous accuracy level. We show that multi-head attention can be expressed in the summation form. Drawing on the insight that not all attention heads hold equal significance, we propose Mixture-of-Head attention (MoH), a new architecture that treats attention heads as experts in the Mixture-of-Experts (MoE) mechanism. MoH has two significant advantages: First, MoH enables each token to select the appropriate attention heads, enhancing inference efficiency without compromising accuracy or increasing the number of parameters. Second, MoH replaces the standard summation in multi-head attention with a weighted summation, introducing flexibility to the attention mechanism and unlocking extra performance potential. Extensive experiments on ViT, DiT, and LLMs demonstrate that MoH outperforms multi-head attention by using only 50%-90% of the attention heads. Moreover, we demonstrate that pre-trained multi-head attention models, such as LLaMA3-8B, can be further continue-tuned into our MoH models. Notably, MoH-LLaMA3-8B achieves an average accuracy of 64.0% across 14 benchmarks, outperforming LLaMA3-8B by 2.4% by utilizing only 75% of the attention heads. We believe the proposed MoH is a promising alternative to multi-head attention and provides a strong foundation for developing advanced and efficient attention-based models.

In the Transformer model, "self-attention" combines information from attended embeddings into the representation of the focal embedding in the next layer. Thus, across layers of the Transformer, information originating from different tokens gets increasingly mixed. This makes attention weights unreliable as explanations probes. In this paper, we consider the problem of quantifying this flow of information through self-attention. We propose two methods for approximating the attention to input tokens given attention weights, attention rollout and attention flow, as post hoc methods when we use attention weights as the relative relevance of the input tokens. We show that these methods give complementary views on the flow of information, and compared to raw attention, both yield higher correlations with importance scores of input tokens obtained using an ablation method and input gradients.

Transformer layers, which use an alternating pattern of multi-head attention and multi-layer perceptron (MLP) layers, provide an effective tool for a variety of machine learning problems. As the transformer layers use residual connections to avoid the problem of vanishing gradients, they can be viewed as the numerical integration of a differential equation. In this extended abstract, we build upon this connection and propose a modification of the internal architecture of a transformer layer. The proposed model places the multi-head attention sublayer and the MLP sublayer parallel to each other. Our experiments show that this simple modification improves the performance of transformer networks in multiple tasks. Moreover, for the image classification task, we show that using neural ODE solvers with a sophisticated integration scheme further improves performance.

The Transformer architecture processes sequences by implementing a form of neural message-passing that consists of iterative information retrieval (attention), followed by local processing (position-wise MLP). Two types of information are essential under this general computational paradigm: "sensory" information about individual objects, and "relational" information describing the relationships between objects. Standard attention naturally encodes the former, but does not explicitly encode the latter. In this paper, we present an extension of Transformers where multi-head attention is augmented with two distinct types of attention heads, each routing information of a different type. The first type is the standard attention mechanism of Transformers, which captures object-level features, while the second type is a novel attention mechanism we propose to explicitly capture relational information. The two types of attention heads each possess different inductive biases, giving the resulting architecture greater efficiency and versatility. The promise of this approach is demonstrated empirically across a range of tasks.

The pursuit of reducing the memory footprint of the self-attention mechanism in multi-headed self attention (MHA) spawned a rich portfolio of methods, e.g., group-query attention (GQA) and multi-head latent attention (MLA). The methods leverage specialized low-rank factorizations across embedding dimensions or attention heads. From the point of view of classical low-rank approximation, these methods are unconventional and raise questions of which objects they really approximate and how to interpret the low-rank behavior of the resulting representations. To answer these questions, this work proposes a generalized view on the weight objects in the self-attention layer and a factorization strategy, which allows us to construct a parameter efficient scheme, called Tucker Attention. Tucker Attention requires an order of magnitude fewer parameters for comparable validation metrics, compared to GQA and MLA, as evaluated in LLM and ViT test cases. Additionally, Tucker Attention~encompasses GQA, MLA, MHA as special cases and is fully compatible with flash-attention and rotary position embeddings (RoPE). This generalization strategy yields insights of the actual ranks achieved by MHA, GQA, and MLA, and further enables simplifications for MLA.

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.

Attention-based architectures have become ubiquitous in machine learning, yet our understanding of the reasons for their effectiveness remains limited. This work proposes a new way to understand self-attention networks: we show that their output can be decomposed into a sum of smaller terms, each involving the operation of a sequence of attention heads across layers. Using this decomposition, we prove that self-attention possesses a strong inductive bias towards "token uniformity". Specifically, without skip connections or multi-layer perceptrons (MLPs), the output converges doubly exponentially to a rank-1 matrix. On the other hand, skip connections and MLPs stop the output from degeneration. Our experiments verify the identified convergence phenomena on different variants of standard transformer architectures.

Attention based Transformer architecture has enabled significant advances in the field of natural language processing. In addition to new pre-training techniques, recent improvements crucially rely on working with a relatively larger embedding dimension for tokens. Unfortunately, this leads to models that are prohibitively large to be employed in the downstream tasks. In this paper we identify one of the important factors contributing to the large embedding size requirement. In particular, our analysis highlights that the scaling between the number of heads and the size of each head in the current architecture gives rise to a low-rank bottleneck in attention heads, causing this limitation. We further validate this in our experiments. As a solution we propose to set the head size of an attention unit to input sequence length, and independent of the number of heads, resulting in multi-head attention layers with provably more expressive power. We empirically show that this allows us to train models with a relatively smaller embedding dimension and with better performance scaling.

Attention mechanisms have improved the performance of NLP tasks while allowing models to remain explainable. Self-attention is currently widely used, however interpretability is difficult due to the numerous attention distributions. Recent work has shown that model representations can benefit from label-specific information, while facilitating interpretation of predictions. We introduce the Label Attention Layer: a new form of self-attention where attention heads represent labels. We test our novel layer by running constituency and dependency parsing experiments and show our new model obtains new state-of-the-art results for both tasks on both the Penn Treebank (PTB) and Chinese Treebank. Additionally, our model requires fewer self-attention layers compared to existing work. Finally, we find that the Label Attention heads learn relations between syntactic categories and show pathways to analyze errors.

Multi-head attention conventionally partitions the hidden dimension equally across all heads at every layer, enforcing an identical representational subspace dimension (dh = dmodel/h) throughout the models depth. In this work, we identify this uniform allocation as a fundamental structural bottleneck: due to their restricted dimensional space, early-layer heads are unable to faithfully capture complex, high-dimensional contextual patterns. To resolve this, we introduce the Prism Transformer, a novel architectural paradigm that replaces the static, uniform head configuration with a progressive head schedule. By monotonically increasing the head count across layers, the Prism Transformer naturally establishes a local-to-global representational hierarchy: early layers leverage fewer, exceptionally wide heads to capture complex, local compositional patterns, while deep layers deploy many, narrow heads to decompose these patterns into specialized linguistic features. Crucially, this structural shift is parameter-neutral, compute-neutral, and introduces zero training or inference overhead, preserving identical weight matrices and FLOP budgets as the standard Transformer. Across three model scales (124M, 354M, and 757M), the Prism Transformer consistently outperforms uniform baselines, achieving consistent reductions in validation loss alongside consistent gains on downstream zero-shot benchmarks (including PIQA, HellaSwag, ARC-Easy, and WinoGrande). Our findings demonstrate that non-uniform subspace allocation unlocks latent capacity within the standard Transformer budget, enabling more effective use of model capacity.

Although Large Vision-Language Models (LVLMs) have made substantial progress, hallucination, where generated text is not grounded in the visual input, remains a challenge. As LVLMs become stronger, previously reported hallucination patterns, such as linguistic bias and overthinking phenomenon, become far less consistent, making the corresponding mitigation techniques substantially less effective. In this paper, we introduce an Internal self-Correction mechanism utilizing Layer Attention (ICLA) that operates directly on hidden states during generation. Each layer selectively retrieves information from all preceding layers through a diagonal cross-layer attention mechanism, enabling self-refinement without any external correction signals. With introducing and training only 0.2M and 0.1M additional parameters on LLaVA1.5-7B and Qwen2.5-VL-7B, \ours consistently improves visual grounding across multiple hallucination benchmarks, demonstrating its effectiveness for more advanced LVLMs.

Attention layers -- which map a sequence of inputs to a sequence of outputs -- are core building blocks of the Transformer architecture which has achieved significant breakthroughs in modern artificial intelligence. This paper presents a rigorous theoretical study on the learning and generalization of a single multi-head attention layer, with a sequence of key vectors and a separate query vector as input. We consider the random feature setting where the attention layer has a large number of heads, with randomly sampled frozen query and key matrices, and trainable value matrices. We show that such a random-feature attention layer can express a broad class of target functions that are permutation invariant to the key vectors. We further provide quantitative excess risk bounds for learning these target functions from finite samples, using random feature attention with finitely many heads. Our results feature several implications unique to the attention structure compared with existing random features theory for neural networks, such as (1) Advantages in the sample complexity over standard two-layer random-feature networks; (2) Concrete and natural classes of functions that can be learned efficiently by a random-feature attention layer; and (3) The effect of the sampling distribution of the query-key weight matrix (the product of the query and key matrix), where Gaussian random weights with a non-zero mean result in better sample complexities over the zero-mean counterpart for learning certain natural target functions. Experiments on simulated data corroborate our theoretical findings and further illustrate the interplay between the sample size and the complexity of the target function.

The quadratic complexity of attention poses a critical bottleneck for long-context processing, spurring interest in hybrid attention designs. Most open-source hybrid models adopt a layer-wise strategy. Yet, prior work has noted the inherent difficulty of integrating Linear Attention (LA) with Full Attention (FA), suggesting that the design space of attention hybridization remains underexplored. To probe this space, we conduct interpretability analysis and observe that layers exhibit block-wise functional similarity, while individual heads within the same layer display distinct functional specialization despite sharing input features. This head-level heterogeneity suggests that the head dimension provides a natural and principled granularity for fusing heterogeneous attention signals. Building on this insight, we introduce HydraHead, a novel architecture that hybridizes FA and LA along the head axis. HydraHead features two key innovations: (1) an interpretability-driven selection strategy that identifies retrieval-critical heads and preserves FA only for them, and (2) a scale-normalized fusion module that reconciles the distributional gap between FA and LA head outputs. By leveraging a three-stage transfer pipeline with parameter reuse and distillation, we achieve high-performance hybrid models with minimal training overhead. Under a unified training setup, HydraHead outperforms other hybrid designs in long-context tasks while maintaining strong general reasoning. With interpretability-driven head selection, it matches a 3:1 layer-wise hybrid's long-context performance at a 7:1 LA-to-FA ratio. Crucially, trained on only 15B tokens, HydraHead achieves over 69% improvement over the baseline at 512K context length, approaching Qwen3.5, a leading model of comparable size with a native context length of 256K. This highlights the significant scaling potential of head-level hybridization.

The multi-head self-attention mechanism of the transformer model has been thoroughly investigated recently. In one vein of study, researchers are interested in understanding why and how transformers work. In another vein, researchers propose new attention augmentation methods to make transformers more accurate, efficient and interpretable. In this paper, we combine these two lines of research in a human-in-the-loop pipeline to first discover important task-specific attention patterns. Then those patterns are injected, not only to smaller models, but also to the original model. The benefits of our pipeline and discovered patterns are demonstrated in two case studies with extractive summarization and topic segmentation. After discovering interpretable patterns in BERT-based models fine-tuned for the two downstream tasks, experiments indicate that when we inject the patterns into attention heads, the models show considerable improvements in accuracy and efficiency.

Medical image analysis continues to hold interesting challenges given the subtle characteristics of certain diseases and the significant overlap in appearance between diseases. In this work, we explore the concept of self-attention for tackling such subtleties in and between diseases. To this end, we introduce MEDUSA, a multi-scale encoder-decoder self-attention mechanism tailored for medical image analysis. While self-attention deep convolutional neural network architectures in existing literature center around the notion of multiple isolated lightweight attention mechanisms with limited individual capacities being incorporated at different points in the network architecture, MEDUSA takes a significant departure from this notion by possessing a single, unified self-attention mechanism with significantly higher capacity with multiple attention heads feeding into different scales in the network architecture. To the best of the authors' knowledge, this is the first "single body, multi-scale heads" realization of self-attention and enables explicit global context amongst selective attention at different levels of representational abstractions while still enabling differing local attention context at individual levels of abstractions. With MEDUSA, we obtain state-of-the-art performance on multiple challenging medical image analysis benchmarks including COVIDx, RSNA RICORD, and RSNA Pneumonia Challenge when compared to previous work. Our MEDUSA model is publicly available.

Self-attention has the promise of improving computer vision systems due to parameter-independent scaling of receptive fields and content-dependent interactions, in contrast to parameter-dependent scaling and content-independent interactions of convolutions. Self-attention models have recently been shown to have encouraging improvements on accuracy-parameter trade-offs compared to baseline convolutional models such as ResNet-50. In this work, we aim to develop self-attention models that can outperform not just the canonical baseline models, but even the high-performing convolutional models. We propose two extensions to self-attention that, in conjunction with a more efficient implementation of self-attention, improve the speed, memory usage, and accuracy of these models. We leverage these improvements to develop a new self-attention model family, HaloNets, which reach state-of-the-art accuracies on the parameter-limited setting of the ImageNet classification benchmark. In preliminary transfer learning experiments, we find that HaloNet models outperform much larger models and have better inference performance. On harder tasks such as object detection and instance segmentation, our simple local self-attention and convolutional hybrids show improvements over very strong baselines. These results mark another step in demonstrating the efficacy of self-attention models on settings traditionally dominated by convolutional models.

Language and vision-language models have shown impressive performance across a wide range of tasks, but their internal mechanisms remain only partly understood. In this work, we study how individual attention heads in text-generative models specialize in specific semantic or visual attributes. Building on an established interpretability method, we reinterpret the practice of probing intermediate activations with the final decoding layer through the lens of signal processing. This lets us analyze multiple samples in a principled way and rank attention heads based on their relevance to target concepts. Our results show consistent patterns of specialization at the head level across both unimodal and multimodal transformers. Remarkably, we find that editing as few as 1% of the heads, selected using our method, can reliably suppress or enhance targeted concepts in the model output. We validate our approach on language tasks such as question answering and toxicity mitigation, as well as vision-language tasks including image classification and captioning. Our findings highlight an interpretable and controllable structure within attention layers, offering simple tools for understanding and editing large-scale generative models.

Vision transformers have been applied successfully for image recognition tasks. There have been either multi-headed self-attention based (ViT dosovitskiy2020image, DeIT, touvron2021training) similar to the original work in textual models or more recently based on spectral layers (Fnetlee2021fnet, GFNetrao2021global, AFNOguibas2021efficient). We hypothesize that both spectral and multi-headed attention plays a major role. We investigate this hypothesis through this work and observe that indeed combining spectral and multi-headed attention layers provides a better transformer architecture. We thus propose the novel Spectformer architecture for transformers that combines spectral and multi-headed attention layers. We believe that the resulting representation allows the transformer to capture the feature representation appropriately and it yields improved performance over other transformer representations. For instance, it improves the top-1 accuracy by 2\% on ImageNet compared to both GFNet-H and LiT. SpectFormer-S reaches 84.25\% top-1 accuracy on ImageNet-1K (state of the art for small version). Further, Spectformer-L achieves 85.7\% that is the state of the art for the comparable base version of the transformers. We further ensure that we obtain reasonable results in other scenarios such as transfer learning on standard datasets such as CIFAR-10, CIFAR-100, Oxford-IIIT-flower, and Standford Car datasets. We then investigate its use in downstream tasks such of object detection and instance segmentation on the MS-COCO dataset and observe that Spectformer shows consistent performance that is comparable to the best backbones and can be further optimized and improved. Hence, we believe that combined spectral and attention layers are what are needed for vision transformers.

The favorable performance of Vision Transformers (ViTs) is often attributed to the multi-head self-attention (MSA). The MSA enables global interactions at each layer of a ViT model, which is a contrasting feature against Convolutional Neural Networks (CNNs) that gradually increase the range of interaction across multiple layers. We study the role of the density of the attention. Our preliminary analyses suggest that the spatial interactions of attention maps are close to dense interactions rather than sparse ones. This is a curious phenomenon, as dense attention maps are harder for the model to learn due to steeper softmax gradients around them. We interpret this as a strong preference for ViT models to include dense interaction. We thus manually insert the uniform attention to each layer of ViT models to supply the much needed dense interactions. We call this method Context Broadcasting, CB. We observe that the inclusion of CB reduces the degree of density in the original attention maps and increases both the capacity and generalizability of the ViT models. CB incurs negligible costs: 1 line in your model code, no additional parameters, and minimal extra operations.

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.

While the Transformer architecture dominates many fields, its quadratic self-attention complexity hinders its use in large-scale applications. Linear attention offers an efficient alternative, but its direct application often degrades performance, with existing fixes typically re-introducing computational overhead through extra modules (e.g., depthwise separable convolution) that defeat the original purpose. In this work, we identify a key failure mode in these methods: global context collapse, where the model loses representational diversity. To address this, we propose Multi-Head Linear Attention (MHLA), which preserves this diversity by computing attention within divided heads along the token dimension. We prove that MHLA maintains linear complexity while recovering much of the expressive power of softmax attention, and verify its effectiveness across multiple domains, achieving a 3.6\% improvement on ImageNet classification, a 6.3\% gain on NLP, a 12.6\% improvement on image generation, and a 41\% enhancement on video generation under the same time complexity.

In this work, we examine the topology of information flow patterns within attention graphs to effectively distinguish hallucinated from non-hallucinated responses. We analyze the Forman-Ricci curvature to identify structural patterns indicating information bottlenecks in attention graphs. We then introduce a method that captures both semi-local and global information-flow characteristics of attention heads associated with hallucinated responses. We evaluate our approach extensively across several LLMs and established benchmarks. Empirical results demonstrate that our proposed single-pass approach provides consistent improvements over existing attention-based and multi-response baselines across two hallucination-detection benchmarks, while achieving competitive performance across diverse LLM architectures. Further analysis reveals that impaired context sharing among tokens during causal generation is strongly associated with hallucination occurrences in LLMs. In particular, hallucinated responses are consistently characterized by an over-reliance on self-attention, diffused context retrieval from earlier tokens, or information over-squashing, especially in the final transformer layer.

Attention Model has now become an important concept in neural networks that has been researched within diverse application domains. This survey provides a structured and comprehensive overview of the developments in modeling attention. In particular, we propose a taxonomy which groups existing techniques into coherent categories. We review salient neural architectures in which attention has been incorporated, and discuss applications in which modeling attention has shown a significant impact. We also describe how attention has been used to improve the interpretability of neural networks. Finally, we discuss some future research directions in attention. We hope this survey will provide a succinct introduction to attention models and guide practitioners while developing approaches for their applications.

Transformers have become the go-to architecture for language and vision tasks, yet their theoretical properties, especially memorization capacity, remain elusive. This paper investigates the memorization abilities of multi-head attention mechanisms, examining how many example sequences they can memorize, as a function of the number of heads and sequence length. Motivated by experimental findings on vision transformers, we introduce novel assumptions about the linear independence of input data, distinct from the commonly used general-position assumption. Under these assumptions, we demonstrate that an attention layer with H heads, dimension d, and context size n < d, featuring Theta(Hd^2) parameters, can memorize Omega(Hn) examples. Our analysis sheds light on how different attention heads handle various example sequences, aided by the softmax operator's saturation property. We validate our findings through experiments on synthetic data.

We introduce a novel architecture design that enhances expressiveness by incorporating multiple head classifiers (\ie, classification heads) instead of relying on channel expansion or additional building blocks. Our approach employs attention-based aggregation, utilizing pairwise feature similarity to enhance multiple lightweight heads with minimal resource overhead. We compute the Gramian matrices to reinforce class tokens in an attention layer for each head. This enables the heads to learn more discriminative representations, enhancing their aggregation capabilities. Furthermore, we propose a learning algorithm that encourages heads to complement each other by reducing correlation for aggregation. Our models eventually surpass state-of-the-art CNNs and ViTs regarding the accuracy-throughput trade-off on ImageNet-1K and deliver remarkable performance across various downstream tasks, such as COCO object instance segmentation, ADE20k semantic segmentation, and fine-grained visual classification datasets. The effectiveness of our framework is substantiated by practical experimental results and further underpinned by generalization error bound. We release the code publicly at: https://github.com/Lab-LVM/imagenet-models.

In this work, we propose a Multi-Window Masked Autoencoder (MW-MAE) fitted with a novel Multi-Window Multi-Head Attention (MW-MHA) module that facilitates the modelling of local-global interactions in every decoder transformer block through attention heads of several distinct local and global windows. Empirical results on ten downstream audio tasks show that MW-MAEs consistently outperform standard MAEs in overall performance and learn better general-purpose audio representations, along with demonstrating considerably better scaling characteristics. Investigating attention distances and entropies reveals that MW-MAE encoders learn heads with broader local and global attention. Analyzing attention head feature representations through Projection Weighted Canonical Correlation Analysis (PWCCA) shows that attention heads with the same window sizes across the decoder layers of the MW-MAE learn correlated feature representations which enables each block to independently capture local and global information, leading to a decoupled decoder feature hierarchy. Code for feature extraction and downstream experiments along with pre-trained models will be released publically.

Transformers have achieved significant success across various domains, relying on self-attention to capture dependencies. However, the standard first-order attention mechanism is often limited by a low-rank bottleneck, struggling to capture intricate, multi-hop relationships within a single layer. In this paper, we propose the Nexus, a novel architecture designed to enhance representational power through a recursive framework. Unlike standard approaches that use static linear projections for Queries and Keys, Nexus dynamically refines these representations via nested self-attention mechanisms. Specifically, the Query and Key vectors are themselves outputs of inner attention loops, allowing tokens to aggregate global context and model high-order correlations prior to the final attention computation. We enforce a parameter-efficient weight-sharing strategy across recursive steps, ensuring that this enhanced expressivity incurs O(1) additional parameters. We provide theoretical analysis demonstrating that our method breaks the linear bottleneck of standard attention. Empirically, Nexus outperforms standard Transformers on multiple benchmarks.

Transformers are increasingly dominating multi-modal reasoning tasks, such as visual question answering, achieving state-of-the-art results thanks to their ability to contextualize information using the self-attention and co-attention mechanisms. These attention modules also play a role in other computer vision tasks including object detection and image segmentation. Unlike Transformers that only use self-attention, Transformers with co-attention require to consider multiple attention maps in parallel in order to highlight the information that is relevant to the prediction in the model's input. In this work, we propose the first method to explain prediction by any Transformer-based architecture, including bi-modal Transformers and Transformers with co-attentions. We provide generic solutions and apply these to the three most commonly used of these architectures: (i) pure self-attention, (ii) self-attention combined with co-attention, and (iii) encoder-decoder attention. We show that our method is superior to all existing methods which are adapted from single modality explainability.

Self-attention is a ubiquitous primitive in modern sequence models, yet its operator-level geometry is only partially understood. We view a token sequence as a vector field over the token-position graph and identify attention as a connection walk: messages are aggregated by a nonnegative walk matrix while being transported along each edge by a learned linear map. Within this framework, we prove that single-head attention (SHA) is exactly a connection propagation step with constant transport, and that multi-head attention (MHA) is exactly a single edge-dependent connection walk whose effective transport is an attention-gated mixture of headwise transports. We further clarify the conditions under which the corresponding generator reduces to a random-walk connection Laplacian, highlighting the roles of stochasticity, reversibility, and metric-compatible transports. Empirically, we find that trained Transformers across scales (from 124M to 8B) and structures (encoder/decoder) exhibit geometric structure consistent with our theory: effective attention graphs converge to stable geometric operators in deeper layers, learned transports self-organize into approximate scaled isometries, and both phenomena strengthen consistently with scale. Overall, the paper provides a precise connection-walk formalism that links self-attention to classical geometric operators, along with a set of operator-level tools for analyzing transformer models from a geometric perspective.

Recent self-supervised learning (SSL) models trained on human-like egocentric visual inputs substantially underperform on image recognition tasks compared to humans. These models train on raw, uniform visual inputs collected from head-mounted cameras. This is different from humans, as the anatomical structure of the retina and visual cortex relatively amplifies the central visual information, i.e. around humans' gaze location. This selective amplification in humans likely aids in forming object-centered visual representations. Here, we investigate whether focusing on central visual information boosts egocentric visual object learning. We simulate 5-months of egocentric visual experience using the large-scale Ego4D dataset and generate gaze locations with a human gaze prediction model. To account for the importance of central vision in humans, we crop the visual area around the gaze location. Finally, we train a time-based SSL model on these modified inputs. Our experiments demonstrate that focusing on central vision leads to better object-centered representations. Our analysis shows that the SSL model leverages the temporal dynamics of the gaze movements to build stronger visual representations. Overall, our work marks a significant step toward bio-inspired learning of visual representations.

In this paper, we introduce the prior knowledge, multi-scale structure, into self-attention modules. We propose a Multi-Scale Transformer which uses multi-scale multi-head self-attention to capture features from different scales. Based on the linguistic perspective and the analysis of pre-trained Transformer (BERT) on a huge corpus, we further design a strategy to control the scale distribution for each layer. Results of three different kinds of tasks (21 datasets) show our Multi-Scale Transformer outperforms the standard Transformer consistently and significantly on small and moderate size datasets.

Understanding the connections between artificial and biological intelligent systems can reveal fundamental principles underlying general intelligence. While many artificial intelligence (AI) models have a neuroscience counterpart, such connections are largely missing in Transformer models and the self-attention mechanism. Here, we examine the relationship between attention heads and human episodic memory. We focus on the induction heads, which contribute to the in-context learning capabilities of Transformer-based large language models (LLMs). We demonstrate that induction heads are behaviorally, functionally, and mechanistically similar to the contextual maintenance and retrieval (CMR) model of human episodic memory. Our analyses of LLMs pre-trained on extensive text data show that CMR-like heads often emerge in the intermediate model layers and that their behavior qualitatively mirrors the memory biases seen in humans. Our findings uncover a parallel between the computational mechanisms of LLMs and human memory, offering valuable insights into both research fields.

We revisit a basic question in sequence modeling: is explicit self-attention actually necessary for strong performance and reasoning? We argue that standard multi-head attention is best seen as a form of tensor lifting: hidden vectors are mapped into a high-dimensional space of pairwise interactions, and learning proceeds by constraining this lifted tensor through gradient descent. This mechanism is extremely expressive but mathematically opaque, because after many layers it becomes very hard to describe the model with a small family of explicit invariants. To explore an alternative, we propose an attention-free architecture based on Grassmann flows. Instead of forming an L by L attention matrix, our Causal Grassmann layer (i) linearly reduces token states, (ii) encodes local token pairs as two-dimensional subspaces on a Grassmann manifold via Plucker coordinates, and (iii) fuses these geometric features back into the hidden states through gated mixing. Information therefore propagates by controlled deformations of low-rank subspaces over multi-scale local windows, so the core computation lives on a finite-dimensional manifold rather than in an unstructured tensor space. On the Wikitext-2 language modeling benchmark, purely Grassmann-based models with 13 to 18 million parameters achieve validation perplexities within about 10 to 15 percent of size-matched Transformers. On the SNLI natural language inference task, a Grassmann-Plucker head on top of DistilBERT slightly outperforms a Transformer head, with best validation and test accuracies of 0.8550 and 0.8538 compared to 0.8545 and 0.8511. We analyze the complexity of Grassmann mixing, show linear scaling in sequence length for fixed rank, and argue that such manifold-based designs offer a more structured route toward geometric and invariant-based interpretations of neural reasoning.

Large vision-language models (LVLMs) have made substantial progress in integrating large language models (LLMs) with visual inputs, enabling advanced multimodal reasoning. Despite their success, a persistent challenge is hallucination-where generated text fails to accurately reflect visual content-undermining both accuracy and reliability. Existing methods focus on alignment training or decoding refinements but primarily address symptoms at the generation stage without probing the underlying causes. In this work, we investigate the internal mechanisms driving hallucination in LVLMs, with an emphasis on the multi-head attention module. Specifically, we introduce Vision-aware Head Divergence (VHD), a metric that quantifies the sensitivity of attention head outputs to visual context. Based on this, our findings reveal the presence of vision-aware attention heads that are more attuned to visual information; however, the model's overreliance on its prior language patterns is closely related to hallucinations. Building on these insights, we propose Vision-aware Head Reinforcement (VHR), a training-free approach to mitigate hallucination by enhancing the role of vision-aware attention heads. Extensive experiments demonstrate that our method achieves superior performance compared to state-of-the-art approaches in mitigating hallucinations, while maintaining high efficiency with negligible additional time overhead.

The Transformer is a sequence model that forgoes traditional recurrent architectures in favor of a fully attention-based approach. Besides improving performance, an advantage of using attention is that it can also help to interpret a model by showing how the model assigns weight to different input elements. However, the multi-layer, multi-head attention mechanism in the Transformer model can be difficult to decipher. To make the model more accessible, we introduce an open-source tool that visualizes attention at multiple scales, each of which provides a unique perspective on the attention mechanism. We demonstrate the tool on BERT and OpenAI GPT-2 and present three example use cases: detecting model bias, locating relevant attention heads, and linking neurons to model behavior.

In this work, we study how multi-head latent attention (MLA), a popular strategy for compressing key/value memory, affects a transformer's internal capacity during pretraining. Using a lightweight suite of Marchenko-Pastur (MP) diagnostics, we analyze the spectrum of the W_{Q}W_{K}^top gram matrix throughout training, comparing three variants: the standard multi-head attention (MHA) baseline, MLA-PreRoPE with rotary applied before compression, and MLA-Decoupled, which shares a single rotary sub-vector across all heads. Our random matrix analysis reveals three key findings: i) capacity bottlenecks emerge locally: both MHA and MLA-PreRoPE exhibit sharp, early spikes in specific layers that persist and propagate, disrupting the balance between bulk and outlier directions; ii) these spikes coincide with rank collapse, concentrating the model's expressivity into narrow subspaces; iii) only the decoupled variant prevents this cascade, maintaining broad spectral support and suppressing outlier formation across layers. These results underscore that how rotary embeddings are applied is just as critical as where compression occurs. Sharing rotary components across heads mitigates spectral fragmentation and preserves representational capacity.

Recent approaches to multi-task learning (MTL) have focused on modelling connections between tasks at the decoder level. This leads to a tight coupling between tasks, which need retraining if a new task is inserted or removed. We argue that MTL is a stepping stone towards universal feature learning (UFL), which is the ability to learn generic features that can be applied to new tasks without retraining. We propose Medusa to realize this goal, designing task heads with dual attention mechanisms. The shared feature attention masks relevant backbone features for each task, allowing it to learn a generic representation. Meanwhile, a novel Multi-Scale Attention head allows the network to better combine per-task features from different scales when making the final prediction. We show the effectiveness of Medusa in UFL (+13.18% improvement), while maintaining MTL performance and being 25% more efficient than previous approaches.

Attention-based mechanisms are widely used in machine learning, most prominently in transformers. However, hyperparameters such as the rank of the attention matrices and the number of heads are scaled nearly the same way in all realizations of this architecture, without theoretical justification. In this work we show that there are dramatic trade-offs between the rank and number of heads of the attention mechanism. Specifically, we present a simple and natural target function that can be represented using a single full-rank attention head for any context length, but that cannot be approximated by low-rank attention unless the number of heads is exponential in the embedding dimension, even for short context lengths. Moreover, we prove that, for short context lengths, adding depth allows the target to be approximated by low-rank attention. For long contexts, we conjecture that full-rank attention is necessary. Finally, we present experiments with off-the-shelf transformers that validate our theoretical findings.

Computational workloads composing traditional Transformer models are starkly bifurcated. Multi-Head Attention (MHA) is memory-bound, with low arithmetic intensity, while feedforward layers are compute-bound. This dichotomy has long motivated research into specialized hardware to mitigate the MHA bottleneck. This paper argues that recent architectural shifts, namely Multi-head Latent Attention (MLA) and Mixture-of-Experts (MoE), challenge the premise of specialized attention hardware. We make two key observations. First, the arithmetic intensity of MLA is over two orders of magnitude greater than that of MHA, shifting it close to a compute-bound regime well-suited for modern accelerators like GPUs. Second, by distributing MoE experts across a pool of accelerators, their arithmetic intensity can be tuned through batching to match that of the dense layers, creating a more balanced computational profile. These findings reveal a diminishing need for specialized attention hardware. The central challenge for next-generation Transformers is no longer accelerating a single memory-bound layer. Instead, the focus must shift to designing balanced systems with sufficient compute, memory capacity, memory bandwidth, and high-bandwidth interconnects to manage the diverse demands of large-scale models.

Recent guidance methods in diffusion models steer reverse sampling by perturbing the model to construct an implicit weak model and guide generation away from it. Among these approaches, attention perturbation has demonstrated strong empirical performance in unconditional scenarios where classifier-free guidance is not applicable. However, existing attention perturbation methods lack principled approaches for determining where perturbations should be applied, particularly in Diffusion Transformer (DiT) architectures where quality-relevant computations are distributed across layers. In this paper, we investigate the granularity of attention perturbations, ranging from the layer level down to individual attention heads, and discover that specific heads govern distinct visual concepts such as structure, style, and texture quality. Building on this insight, we propose "HeadHunter", a systematic framework for iteratively selecting attention heads that align with user-centric objectives, enabling fine-grained control over generation quality and visual attributes. In addition, we introduce SoftPAG, which linearly interpolates each selected head's attention map toward an identity matrix, providing a continuous knob to tune perturbation strength and suppress artifacts. Our approach not only mitigates the oversmoothing issues of existing layer-level perturbation but also enables targeted manipulation of specific visual styles through compositional head selection. We validate our method on modern large-scale DiT-based text-to-image models including Stable Diffusion 3 and FLUX.1, demonstrating superior performance in both general quality enhancement and style-specific guidance. Our work provides the first head-level analysis of attention perturbation in diffusion models, uncovering interpretable specialization within attention layers and enabling practical design of effective perturbation strategies.

Recent text-to-image diffusion models leverage cross-attention layers, which have been effectively utilized to enhance a range of visual generative tasks. However, our understanding of cross-attention layers remains somewhat limited. In this study, we introduce a mechanistic interpretability approach for diffusion models by constructing Head Relevance Vectors (HRVs) that align with human-specified visual concepts. An HRV for a given visual concept has a length equal to the total number of cross-attention heads, with each element representing the importance of the corresponding head for the given visual concept. To validate HRVs as interpretable features, we develop an ordered weakening analysis that demonstrates their effectiveness. Furthermore, we propose concept strengthening and concept adjusting methods and apply them to enhance three visual generative tasks. Our results show that HRVs can reduce misinterpretations of polysemous words in image generation, successfully modify five challenging attributes in image editing, and mitigate catastrophic neglect in multi-concept generation. Overall, our work provides an advancement in understanding cross-attention layers and introduces new approaches for fine-controlling these layers at the head level.

Vision Transformers (ViTs) have gained significant popularity in recent years and have proliferated into many applications. However, their behavior under different learning paradigms is not well explored. We compare ViTs trained through different methods of supervision, and show that they learn a diverse range of behaviors in terms of their attention, representations, and downstream performance. We also discover ViT behaviors that are consistent across supervision, including the emergence of Offset Local Attention Heads. These are self-attention heads that attend to a token adjacent to the current token with a fixed directional offset, a phenomenon that to the best of our knowledge has not been highlighted in any prior work. Our analysis shows that ViTs are highly flexible and learn to process local and global information in different orders depending on their training method. We find that contrastive self-supervised methods learn features that are competitive with explicitly supervised features, and they can even be superior for part-level tasks. We also find that the representations of reconstruction-based models show non-trivial similarity to contrastive self-supervised models. Project website (https://www.cs.umd.edu/~sakshams/vit_analysis) and code (https://www.github.com/mwalmer-umd/vit_analysis) are publicly available.

Contemporary diffusion models built upon U-Net or Diffusion Transformer (DiT) architectures have revolutionized image generation through transformer-based attention mechanisms. The prevailing paradigm has commonly employed self-attention with quadratic computational complexity to handle global spatial relationships in complex images, thereby synthesizing high-fidelity images with coherent visual semantics.Contrary to conventional wisdom, our systematic layer-wise analysis reveals an interesting discrepancy: self-attention in pre-trained diffusion models predominantly exhibits localized attention patterns, closely resembling convolutional inductive biases. This suggests that global interactions in self-attention may be less critical than commonly assumed.Driven by this, we propose \(\Delta\)ConvFusion to replace conventional self-attention modules with Pyramid Convolution Blocks (\(\Delta\)ConvBlocks).By distilling attention patterns into localized convolutional operations while keeping other components frozen, \(\Delta\)ConvFusion achieves performance comparable to transformer-based counterparts while reducing computational cost by 6929times and surpassing LinFusion by 5.42times in efficiency--all without compromising generative fidelity.

The Attention module finds common usage in language modeling, presenting distinct challenges within the broader scope of Natural Language Processing. Multi-Head Attention (MHA) employs an absolute positional encoding, which imposes limitations on token length and entails substantial memory consumption during the processing of embedded inputs. The current remedy proposed by researchers involves the utilization of relative positional encoding, similar to the approach adopted in Transformer-XL or Relative Multi-Head Attention (RMHA), albeit the employed architecture consumes considerable memory resources. To address these challenges, this study endeavors to refine MHA, leveraging relative positional encoding in conjunction with the Depth-Wise Convolutional Layer architecture, which promises heightened accuracy coupled with minimized memory usage. The proposed RCMHA framework entails the modification of two integral components: firstly, the application of the Depth-Wise Convolutional Layer to the input embedding, encompassing Query, Key, and Value parameters; secondly, the incorporation of Relative Positional Encoding into the attention scoring phase, harmoniously integrated with Scaled Dot-Product Attention. Empirical experiments underscore the advantages of RCMHA, wherein it exhibits superior accuracy, boasting a score of 0.572 in comparison to alternative attention modules such as MHA, Multi-DConv-Head Attention (MDHA), and RMHA. Concerning memory utilization, RMHA emerges as the most frugal, demonstrating an average consumption of 2.98 GB, surpassing RMHA which necessitates 3.5 GB.

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.

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.

We investigate methods for combining multiple self-supervised tasks--i.e., supervised tasks where data can be collected without manual labeling--in order to train a single visual representation. First, we provide an apples-to-apples comparison of four different self-supervised tasks using the very deep ResNet-101 architecture. We then combine tasks to jointly train a network. We also explore lasso regularization to encourage the network to factorize the information in its representation, and methods for "harmonizing" network inputs in order to learn a more unified representation. We evaluate all methods on ImageNet classification, PASCAL VOC detection, and NYU depth prediction. Our results show that deeper networks work better, and that combining tasks--even via a naive multi-head architecture--always improves performance. Our best joint network nearly matches the PASCAL performance of a model pre-trained on ImageNet classification, and matches the ImageNet network on NYU depth prediction.

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.

Self-supervised models have revolutionized speech processing, achieving new levels of performance in a wide variety of tasks with limited resources. However, the inner workings of these models are still opaque. In this paper, we aim to analyze the encoded contextual representation of these foundation models based on their inter- and intra-model similarity, independent of any external annotation and task-specific constraint. We examine different SSL models varying their training paradigm -- Contrastive (Wav2Vec2.0) and Predictive models (HuBERT); and model sizes (base and large). We explore these models on different levels of localization/distributivity of information including (i) individual neurons; (ii) layer representation; (iii) attention weights and (iv) compare the representations with their finetuned counterparts.Our results highlight that these models converge to similar representation subspaces but not to similar neuron-localized concepts\footnote{A concept represents a coherent fragment of knowledge, such as ``a class containing certain objects as elements, where the objects have certain properties. We made the code publicly available for facilitating further research, we publicly released our code.

We introduce three new attention mechanisms that outperform standard multi-head attention in terms of efficiency and learning capabilities, thereby improving the performance and broader deployability of Transformer models. Our first contribution is Optimised Attention, which performs similarly to standard attention, but has 3/4 as many parameters and one matrix multiplication fewer per head. Next, we introduce Efficient Attention, which performs on par with standard attention with only 1/2 as many parameters as many parameters and two matrix multiplications fewer per head and is up to twice as fast as standard attention. Lastly, we introduce Super Attention, which surpasses standard attention by a significant margin in both vision and natural language processing tasks while having fewer parameters and matrix multiplications. In addition to providing rigorous mathematical comparisons, we evaluate the presented attention mechanisms on MNIST, CIFAR100, IMDB Movie Reviews, and Amazon Reviews datasets.

Multi-Head Attention (MHA) is the core computational primitive underlying modern Large Language Models (LLMs). However, MHA suffers from a fundamental linear scaling limitation: H attention heads produce exactly H independent attention matrices, with no communication between heads during attention computation. This becomes problematic for multi-step reasoning, where correct answers depend on aggregating evidence from multiple parts of the context and composing latent token-to-token relations over a chain of intermediate inferences. To address this, we propose Interleaved Head Attention (IHA), which enables cross-head mixing by constructing P pseudo-heads per head (typically P=H), where each pseudo query/key/value is a learned linear combination of all H original queries, keys and values respectively. Interactions between pseudo-query and pseudo-key heads induce up to P^2 attention patterns per head with modest parameter overhead O(H^2P). We provide theory showing improved efficiency in terms of number of parameters on the synthetic Polynomial task (IHA uses Θ(kn^2) parameters vs. Θ(kn^2) for MHA) and on the synthetic order-sensitive CPM-3 task (IHA uses lceilN_{max}rceil heads vs. N_{max} for MHA). On real-world benchmarks, IHA improves Multi-Key retrieval on RULER by 10-20% (4k-16k) and, after fine-tuning for reasoning on OpenThoughts, improves GSM8K by 5.8% and MATH-500 by 2.8% (Majority Vote) over full attention.

In this paper we present deep-learning models that submitted to the SemEval-2018 Task~1 competition: "Affect in Tweets". We participated in all subtasks for English tweets. We propose a Bi-LSTM architecture equipped with a multi-layer self attention mechanism. The attention mechanism improves the model performance and allows us to identify salient words in tweets, as well as gain insight into the models making them more interpretable. Our model utilizes a set of word2vec word embeddings trained on a large collection of 550 million Twitter messages, augmented by a set of word affective features. Due to the limited amount of task-specific training data, we opted for a transfer learning approach by pretraining the Bi-LSTMs on the dataset of Semeval 2017, Task 4A. The proposed approach ranked 1st in Subtask E "Multi-Label Emotion Classification", 2nd in Subtask A "Emotion Intensity Regression" and achieved competitive results in other subtasks.

Many papers have shown that attention heads work in conjunction with each other to perform complex tasks. It's frequently assumed that communication between attention heads is via the addition of specific features to token residuals. In this work we seek to isolate and identify the features used to effect communication and coordination among attention heads in GPT-2 small. Our key leverage on the problem is to show that these features are very often sparsely coded in the singular vectors of attention head matrices. We characterize the dimensionality and occurrence of these signals across the attention heads in GPT-2 small when used for the Indirect Object Identification (IOI) task. The sparse encoding of signals, as provided by attention head singular vectors, allows for efficient separation of signals from the residual background and straightforward identification of communication paths between attention heads. We explore the effectiveness of this approach by tracing portions of the circuits used in the IOI task. Our traces reveal considerable detail not present in previous studies, shedding light on the nature of redundant paths present in GPT-2. And our traces go beyond previous work by identifying features used to communicate between attention heads when performing IOI.

Transformer architectures have revolutionized artificial intelligence (AI) through their attention mechanisms, yet the computational principles underlying their success remain opaque. We present a novel theoretical framework that reinterprets the core computation of attention as Pavlovian conditioning. Our model finds a direct mathematical analogue in linear attention, which simplifies the analysis of the underlying associative process. We demonstrate that attention's queries, keys, and values can be mapped to the three elements of classical conditioning: test stimuli that probe associations, conditional stimuli (CS) that serve as retrieval cues, and unconditional stimuli (US) that contain response information. Through this lens, we suggest that each attention operation constructs a transient associative memory via a Hebbian rule, where CS-US pairs form dynamic associations that test stimuli can later retrieve. Our framework yields several theoretical insights grounded in this linearized model: (1) a capacity theorem showing that attention heads can store O(d_k) associations before interference degrades retrieval; (2) an error propagation analysis revealing fundamental architectural trade-offs of balancing model depth, width, and head redundancy to maintain reliability; and (3) an understanding of how biologically plausible learning rules could enhance transformer architectures. By establishing this deep connection, we suggest that the success of modern AI may stem not from architectural novelty alone, but from implementing computational principles that biology optimized over millions of years of evolution.

We present a simple but effective pixel-level self-supervised distillation framework friendly to dense prediction tasks. Our method, called Pixel-Wise Contrastive Distillation (PCD), distills knowledge by attracting the corresponding pixels from student's and teacher's output feature maps. PCD includes a novel design called SpatialAdaptor which ``reshapes'' a part of the teacher network while preserving the distribution of its output features. Our ablation experiments suggest that this reshaping behavior enables more informative pixel-to-pixel distillation. Moreover, we utilize a plug-in multi-head self-attention module that explicitly relates the pixels of student's feature maps to enhance the effective receptive field, leading to a more competitive student. PCD outperforms previous self-supervised distillation methods on various dense prediction tasks. A backbone of ResNet-18-FPN distilled by PCD achieves 37.4 AP^bbox and 34.0 AP^mask on COCO dataset using the detector of Mask R-CNN. We hope our study will inspire future research on how to pre-train a small model friendly to dense prediction tasks in a self-supervised fashion.

In-Context Learning (ICL) enables Large Language Models (LLMs) to perform tasks by conditioning on input-output examples in the prompt, without requiring any update in model parameters. While widely adopted, it remains unclear whether prompting with multiple examples is the most effective and efficient way to convey task information. In this work, we propose Soft Injection of task embeddings. The task embeddings are constructed only once using few-shot ICL prompts and repeatedly used during inference. Soft injection is performed by softly mixing task embeddings with attention head activations using pre-optimized mixing parameters, referred to as soft head-selection parameters. This method not only allows a desired task to be performed without in-prompt demonstrations but also significantly outperforms existing ICL approaches while reducing memory usage and compute cost at inference time. An extensive evaluation is performed across 57 tasks and 12 LLMs, spanning four model families of sizes from 4B to 70B. Averaged across 57 tasks, our method outperforms 10-shot ICL by 10.2%-14.3% across 12 LLMs. Additional analyses show that our method also serves as an insightful tool for analyzing task-relevant roles of attention heads, revealing that task-relevant head positions selected by our method transfer across similar tasks but not across dissimilar ones -- underscoring the task-specific nature of head functionality. Our soft injection method opens a new paradigm for reducing prompt length and improving task performance by shifting task conditioning from the prompt space to the activation space.

While models derived from Vision Transformers (ViTs) have been phonemically surging, pre-trained models cannot seamlessly adapt to arbitrary resolution images without altering the architecture and configuration, such as sampling the positional encoding, limiting their flexibility for various vision tasks. For instance, the Segment Anything Model (SAM) based on ViT-Huge requires all input images to be resized to 1024times1024. To overcome this limitation, we propose the Multi-Head Self-Attention Convolution (MSA-Conv) that incorporates Self-Attention within generalized convolutions, including standard, dilated, and depthwise ones. Enabling transformers to handle images of varying sizes without retraining or rescaling, the use of MSA-Conv further reduces computational costs compared to global attention in ViT, which grows costly as image size increases. Later, we present the Vision Transformer in Convolution (TiC) as a proof of concept for image classification with MSA-Conv, where two capacity enhancing strategies, namely Multi-Directional Cyclic Shifted Mechanism and Inter-Pooling Mechanism, have been proposed, through establishing long-distance connections between tokens and enlarging the effective receptive field. Extensive experiments have been carried out to validate the overall effectiveness of TiC. Additionally, ablation studies confirm the performance improvement made by MSA-Conv and the two capacity enhancing strategies separately. Note that our proposal aims at studying an alternative to the global attention used in ViT, while MSA-Conv meets our goal by making TiC comparable to state-of-the-art on ImageNet-1K. Code will be released at https://github.com/zs670980918/MSA-Conv.

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.

This paper proposes joint attention estimation in a single image. Different from related work in which only the gaze-related attributes of people are independently employed, (I) their locations and actions are also employed as contextual cues for weighting their attributes, and (ii) interactions among all of these attributes are explicitly modeled in our method. For the interaction modeling, we propose a novel Transformer-based attention network to encode joint attention as low-dimensional features. We introduce a specialized MLP head with positional embedding to the Transformer so that it predicts pixelwise confidence of joint attention for generating the confidence heatmap. This pixelwise prediction improves the heatmap accuracy by avoiding the ill-posed problem in which the high-dimensional heatmap is predicted from the low-dimensional features. The estimated joint attention is further improved by being integrated with general image-based attention estimation. Our method outperforms SOTA methods quantitatively in comparative experiments. Code: https://anonymous.4open.science/r/anonymized_codes-ECA4.

Attention sinks are tokens, often the beginning-of-sequence (BOS) token, that receive disproportionately high attention despite limited semantic relevance. In this work, we identify a class of attention sinks, which we term secondary sinks, that differ fundamentally from the sinks studied in prior works, which we term primary sinks. While prior works have identified that tokens other than BOS can sometimes become sinks, they were found to exhibit properties analogous to the BOS token. Specifically, they emerge at the same layer, persist throughout the network and draw a large amount of attention mass. Whereas, we find the existence of secondary sinks that arise primarily in middle layers and can persist for a variable number of layers, and draw a smaller, but still significant, amount of attention mass. Through extensive experiments across 11 model families, we analyze where these secondary sinks appear, their properties, how they are formed, and their impact on the attention mechanism. Specifically, we show that: (1) these sinks are formed by specific middle-layer MLP modules; these MLPs map token representations to vectors that align with the direction of the primary sink of that layer. (2) The ell_2-norm of these vectors determines the sink score of the secondary sink, and also the number of layers it lasts for, thereby leading to different impacts on the attention mechanisms accordingly. (3) The primary sink weakens in middle layers, coinciding with the emergence of secondary sinks. We observe that in larger-scale models, the location and lifetime of the sinks, together referred to as sink levels, appear in a more deterministic and frequent manner. Specifically, we identify three sink levels in QwQ-32B and six levels in Qwen3-14B.

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.

Speech-driven 3D facial animation is challenging due to the complex geometry of human faces and the limited availability of 3D audio-visual data. Prior works typically focus on learning phoneme-level features of short audio windows with limited context, occasionally resulting in inaccurate lip movements. To tackle this limitation, we propose a Transformer-based autoregressive model, FaceFormer, which encodes the long-term audio context and autoregressively predicts a sequence of animated 3D face meshes. To cope with the data scarcity issue, we integrate the self-supervised pre-trained speech representations. Also, we devise two biased attention mechanisms well suited to this specific task, including the biased cross-modal multi-head (MH) attention and the biased causal MH self-attention with a periodic positional encoding strategy. The former effectively aligns the audio-motion modalities, whereas the latter offers abilities to generalize to longer audio sequences. Extensive experiments and a perceptual user study show that our approach outperforms the existing state-of-the-arts. The code will be made available.

We present lambda layers -- an alternative framework to self-attention -- for capturing long-range interactions between an input and structured contextual information (e.g. a pixel surrounded by other pixels). Lambda layers capture such interactions by transforming available contexts into linear functions, termed lambdas, and applying these linear functions to each input separately. Similar to linear attention, lambda layers bypass expensive attention maps, but in contrast, they model both content and position-based interactions which enables their application to large structured inputs such as images. The resulting neural network architectures, LambdaNetworks, significantly outperform their convolutional and attentional counterparts on ImageNet classification, COCO object detection and COCO instance segmentation, while being more computationally efficient. Additionally, we design LambdaResNets, a family of hybrid architectures across different scales, that considerably improves the speed-accuracy tradeoff of image classification models. LambdaResNets reach excellent accuracies on ImageNet while being 3.2 - 4.4x faster than the popular EfficientNets on modern machine learning accelerators. When training with an additional 130M pseudo-labeled images, LambdaResNets achieve up to a 9.5x speed-up over the corresponding EfficientNet checkpoints.

Large Language Models (LLMs) with hundreds of billions of parameters have transformed the field of machine learning. However, serving these models at inference time is both compute and memory intensive, where a single request can require multiple GPUs and tens of Gigabytes of memory. Multi-Head Attention is one of the key components of LLMs, which can account for over 50% of LLMs memory and compute requirement. We observe that there is a high amount of redundancy across heads on which tokens they pay attention to. Based on this insight, we propose Clustered Head Attention (CHAI). CHAI combines heads with a high amount of correlation for self-attention at runtime, thus reducing both memory and compute. In our experiments, we show that CHAI is able to reduce the memory requirements for storing K,V cache by up to 21.4% and inference time latency by up to 1.73x without any fine-tuning required. CHAI achieves this with a maximum 3.2% deviation in accuracy across 3 different models (i.e. OPT-66B, LLAMA-7B, LLAMA-33B) and 5 different evaluation datasets.

Large multimodal models (LMMs) "see" images by leveraging the attention mechanism between text and visual tokens in the transformer decoder. Ideally, these models should focus on key visual information relevant to the text token. However, recent findings indicate that LMMs have an extraordinary tendency to consistently allocate high attention weights to specific visual tokens, even when these tokens are irrelevant to the corresponding text. In this study, we investigate the property behind the appearance of these irrelevant visual tokens and examine their characteristics. Our findings show that this behavior arises due to the massive activation of certain hidden state dimensions, which resembles the attention sink found in language models. Hence, we refer to this phenomenon as the visual attention sink. In particular, our analysis reveals that removing the irrelevant visual sink tokens does not impact model performance, despite receiving high attention weights. Consequently, we recycle the attention to these tokens as surplus resources, redistributing the attention budget to enhance focus on the image. To achieve this, we introduce Visual Attention Redistribution (VAR), a method that redistributes attention in image-centric heads, which we identify as innately focusing on visual information. VAR can be seamlessly applied across different LMMs to improve performance on a wide range of tasks, including general vision-language tasks, visual hallucination tasks, and vision-centric tasks, all without the need for additional training, models, or inference steps. Experimental results demonstrate that VAR enables LMMs to process visual information more effectively by adjusting their internal attention mechanisms, offering a new direction to enhancing the multimodal capabilities of LMMs.

Self-attention mechanism is the key of the Transformer but often criticized for its computation demands. Previous token pruning works motivate their methods from the view of computation redundancy but still need to load the full network and require same memory costs. This paper introduces a novel strategy that simplifies vision transformers and reduces computational load through the selective removal of non-essential attention layers, guided by entropy considerations. We identify that regarding the attention layer in bottom blocks, their subsequent MLP layers, i.e. two feed-forward layers, can elicit the same entropy quantity. Meanwhile, the accompanied MLPs are under-exploited since they exhibit smaller feature entropy compared to those MLPs in the top blocks. Therefore, we propose to integrate the uninformative attention layers into their subsequent counterparts by degenerating them into identical mapping, yielding only MLP in certain transformer blocks. Experimental results on ImageNet-1k show that the proposed method can remove 40% attention layer of DeiT-B, improving throughput and memory bound without performance compromise. Code is available at https://github.com/sihaoevery/lambda_vit.

Self-attention selects information freely across the sequence, but across depth, Transformers merely add each layer's output to the residual stream, so later layers cannot selectively reuse earlier-layer representations. Recent cross-layer methods improve this flow but operate on hidden states outside attention, adding state beyond the key-value cache at inference--a cost that becomes increasingly salient as modern LLMs compress the cache with grouped-query and multi-head latent attention. We introduce Depth-Attention, which performs this selection inside the attention module itself: before a layer attends over the sequence, its query attends over the keys of earlier layers at the same token position and mixes their values into the value that self-attention then reads. Because Depth-Attention reuses the standard attention queries, keys, and value-cache slots, storing depth-mixed values in place of the original values, it adds no parameters and introduces no persistent inference state beyond the standard key-value cache--the same cache size as a vanilla decoder and less than hidden-state-based cross-layer methods. On Qwen3-style decoders at 1.5B and 3B parameters, Depth-Attention attains the lowest perplexity and the highest average downstream accuracy, improving over the vanilla Transformer by up to 2.3 accuracy points and surpassing strong cross-layer baselines in perplexity and average accuracy, while adding under 0.01% extra arithmetic FLOPs and no additional persistent inference state. The gains hold from 360M to 3B parameters and extend to looped Transformers.

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.

Facial expression recognition (FER) has received increasing interest in computer vision. We propose the TransFER model which can learn rich relation-aware local representations. It mainly consists of three components: Multi-Attention Dropping (MAD), ViT-FER, and Multi-head Self-Attention Dropping (MSAD). First, local patches play an important role in distinguishing various expressions, however, few existing works can locate discriminative and diverse local patches. This can cause serious problems when some patches are invisible due to pose variations or viewpoint changes. To address this issue, the MAD is proposed to randomly drop an attention map. Consequently, models are pushed to explore diverse local patches adaptively. Second, to build rich relations between different local patches, the Vision Transformers (ViT) are used in FER, called ViT-FER. Since the global scope is used to reinforce each local patch, a better representation is obtained to boost the FER performance. Thirdly, the multi-head self-attention allows ViT to jointly attend to features from different information subspaces at different positions. Given no explicit guidance, however, multiple self-attentions may extract similar relations. To address this, the MSAD is proposed to randomly drop one self-attention module. As a result, models are forced to learn rich relations among diverse local patches. Our proposed TransFER model outperforms the state-of-the-art methods on several FER benchmarks, showing its effectiveness and usefulness.

Recent studies have revealed various manifestations of position bias in transformer architectures, from the "lost-in-the-middle" phenomenon to attention sinks, yet a comprehensive theoretical understanding of how attention masks and positional encodings shape these biases remains elusive. This paper presents a graph-theoretic framework for analyzing position bias in multi-layer attention. Modeling attention masks as directed graphs, we quantify how tokens interact with contextual information based on their sequential positions. We uncover two key insights: First, causal masking inherently biases attention toward earlier positions, as tokens in deeper layers attend to increasingly more contextualized representations of earlier tokens. Second, we characterize the competing effects of the causal mask and relative positional encodings, such as the decay mask and rotary positional encoding (RoPE): while both mechanisms introduce distance-based decay within individual attention maps, their aggregate effect across multiple attention layersx2013coupled with the causal maskx2013leads to a trade-off between the long-term decay effects and the cumulative importance of early sequence positions. Through controlled numerical experiments, we not only validate our theoretical findings but also reproduce position biases observed in real-world LLMs. Our framework offers a principled foundation for understanding positional biases in transformers, shedding light on the complex interplay of attention mechanism components and guiding more informed architectural design.

As the rapid progression of practical applications based on Large Language Models continues, the importance of extrapolating performance has grown exponentially in the research domain. In our study, we identified an anomalous behavior in Transformer models that had been previously overlooked, leading to a chaos around closest tokens which carried the most important information. We've coined this discovery the "headache of Transformers". To address this at its core, we introduced a novel self-attention structure named Collinear Constrained Attention (CoCA). This structure can be seamlessly integrated with existing extrapolation, interpolation methods, and other optimization strategies designed for traditional Transformer models. We have achieved excellent extrapolating performance even for 16 times to 24 times of sequence lengths during inference without any fine-tuning on our model. We have also enhanced CoCA's computational and spatial efficiency to ensure its practicality. We plan to open-source CoCA shortly. In the meantime, we've made our code available in the appendix for reappearing experiments.

The success of multi-head self-attentions (MSAs) for computer vision is now indisputable. However, little is known about how MSAs work. We present fundamental explanations to help better understand the nature of MSAs. In particular, we demonstrate the following properties of MSAs and Vision Transformers (ViTs): (1) MSAs improve not only accuracy but also generalization by flattening the loss landscapes. Such improvement is primarily attributable to their data specificity, not long-range dependency. On the other hand, ViTs suffer from non-convex losses. Large datasets and loss landscape smoothing methods alleviate this problem; (2) MSAs and Convs exhibit opposite behaviors. For example, MSAs are low-pass filters, but Convs are high-pass filters. Therefore, MSAs and Convs are complementary; (3) Multi-stage neural networks behave like a series connection of small individual models. In addition, MSAs at the end of a stage play a key role in prediction. Based on these insights, we propose AlterNet, a model in which Conv blocks at the end of a stage are replaced with MSA blocks. AlterNet outperforms CNNs not only in large data regimes but also in small data regimes. The code is available at https://github.com/xxxnell/how-do-vits-work.

Despite the recent progress in long-context language models, it remains elusive how transformer-based models exhibit the capability to retrieve relevant information from arbitrary locations within the long context. This paper aims to address this question. Our systematic investigation across a wide spectrum of models reveals that a special type of attention heads are largely responsible for retrieving information, which we dub retrieval heads. We identify intriguing properties of retrieval heads:(1) universal: all the explored models with long-context capability have a set of retrieval heads; (2) sparse: only a small portion (less than 5\%) of the attention heads are retrieval. (3) intrinsic: retrieval heads already exist in models pretrained with short context. When extending the context length by continual pretraining, it is still the same set of heads that perform information retrieval. (4) dynamically activated: take Llama-2 7B for example, 12 retrieval heads always attend to the required information no matter how the context is changed. The rest of the retrieval heads are activated in different contexts. (5) causal: completely pruning retrieval heads leads to failure in retrieving relevant information and results in hallucination, while pruning random non-retrieval heads does not affect the model's retrieval ability. We further show that retrieval heads strongly influence chain-of-thought (CoT) reasoning, where the model needs to frequently refer back the question and previously-generated context. Conversely, tasks where the model directly generates the answer using its intrinsic knowledge are less impacted by masking out retrieval heads. These observations collectively explain which internal part of the model seeks information from the input tokens. We believe our insights will foster future research on reducing hallucination, improving reasoning, and compressing the KV cache.

The success of Transformer language models is widely credited to their dot-product attention mechanism, which interweaves a set of key design principles: mixing information across positions (enabling multi-token interactions), sequence-dependent activations (where attention weights adapt to each input), a specific mathematical form (dot-product similarities plus softmax weighting), and coupling of queries and keys to evolving hidden states (grounding attention in the current layer). However, the necessity of each of these principles remains largely untested. In this work, we systematically deconstruct attention by designing controlled variants that selectively relax these principles, applied both uniformly across all layers and in hybrid architectures where only some layers retain standard attention. Our empirical analysis reveals that mechanisms for mixing tokens are indispensable, as their absence collapses models to near-random behavior, while the exact mathematical form and sequence dependency can be substantially relaxed, especially when preserved in just a subset of layers. Surprisingly, even variants that fail in isolation can achieve robust performance when interleaved with standard attention, highlighting a cooperative effect. These findings deepen our understanding of what truly underpins attention's effectiveness and open new avenues for simplifying language models without sacrificing performance.

Humans can reason compositionally whilst grounding language utterances to the real world. Recent benchmarks like ReaSCAN use navigation tasks grounded in a grid world to assess whether neural models exhibit similar capabilities. In this work, we present a simple transformer-based model that outperforms specialized architectures on ReaSCAN and a modified version of gSCAN. On analyzing the task, we find that identifying the target location in the grid world is the main challenge for the models. Furthermore, we show that a particular split in ReaSCAN, which tests depth generalization, is unfair. On an amended version of this split, we show that transformers can generalize to deeper input structures. Finally, we design a simpler grounded compositional generalization task, RefEx, to investigate how transformers reason compositionally. We show that a single self-attention layer with a single head generalizes to novel combinations of object attributes. Moreover, we derive a precise mathematical construction of the transformer's computations from the learned network. Overall, we provide valuable insights about the grounded compositional generalization task and the behaviour of transformers on it, which would be useful for researchers working in this area.

In-context learning (ICL) in large language models (LLMs) is a striking phenomenon, yet its underlying mechanisms remain only partially understood. Previous work connects linear self-attention (LSA) to gradient descent (GD), this connection has primarily been established under simplified conditions with zero-mean Gaussian priors and zero initialization for GD. However, subsequent studies have challenged this simplified view by highlighting its overly restrictive assumptions, demonstrating instead that under conditions such as multi-layer or nonlinear attention, self-attention performs optimization-like inference, akin to but distinct from GD. We investigate how multi-head LSA approximates GD under more realistic conditions specifically when incorporating non-zero Gaussian prior means in linear regression formulations of ICL. We first extend multi-head LSA embedding matrix by introducing an initial estimation of the query, referred to as the initial guess. We prove an upper bound on the number of heads needed for ICL linear regression setup. Our experiments confirm this result and further observe that a performance gap between one-step GD and multi-head LSA persists. To address this gap, we introduce yq-LSA, a simple generalization of single-head LSA with a trainable initial guess yq. We theoretically establish the capabilities of yq-LSA and provide experimental validation on linear regression tasks, thereby extending the theory that bridges ICL and GD. Finally, inspired by our findings in the case of linear regression, we consider widespread LLMs augmented with initial guess capabilities, and show that their performance is improved on a semantic similarity task.

Recent advances in implicit neural representations (INRs) have shown significant promise in modeling visual signals for various low-vision tasks including image super-resolution (ISR). INR-based ISR methods typically learn continuous representations, providing flexibility for generating high-resolution images at any desired scale from their low-resolution counterparts. However, existing INR-based ISR methods utilize multi-layer perceptrons for parameterization in the network; this does not take account of the hierarchical structure existing in local sampling points and hence constrains the representation capability. In this paper, we propose a new Hierarchical encoding based Implicit Image Function for continuous image super-resolution, HIIF, which leverages a novel hierarchical positional encoding that enhances the local implicit representation, enabling it to capture fine details at multiple scales. Our approach also embeds a multi-head linear attention mechanism within the implicit attention network by taking additional non-local information into account. Our experiments show that, when integrated with different backbone encoders, HIIF outperforms the state-of-the-art continuous image super-resolution methods by up to 0.17dB in PSNR. The source code of HIIF will be made publicly available at www.github.com.