Daily Papers

In this digital age of news consumption, a news reader has the ability to react, express and share opinions with others in a highly interactive and fast manner. As a consequence, fake news has made its way into our daily life because of very limited capacity to verify news on the Internet by large companies as well as individuals. In this paper, we focus on solving two problems which are part of the fact-checking ecosystem that can help to automate fact-checking of claims in an ever increasing stream of content on social media. For the first problem, claim check-worthiness prediction, we explore the fusion of syntactic features and deep transformer Bidirectional Encoder Representations from Transformers (BERT) embeddings, to classify check-worthiness of a tweet, i.e. whether it includes a claim or not. We conduct a detailed feature analysis and present our best performing models for English and Arabic tweets. For the second problem, claim retrieval, we explore the pre-trained embeddings from a Siamese network transformer model (sentence-transformers) specifically trained for semantic textual similarity, and perform KD-search to retrieve verified claims with respect to a query tweet.

Many natural language processing and information retrieval problems can be formalized as the task of semantic matching. Existing work in this area has been largely focused on matching between short texts (e.g., question answering), or between a short and a long text (e.g., ad-hoc retrieval). Semantic matching between long-form documents, which has many important applications like news recommendation, related article recommendation and document clustering, is relatively less explored and needs more research effort. In recent years, self-attention based models like Transformers and BERT have achieved state-of-the-art performance in the task of text matching. These models, however, are still limited to short text like a few sentences or one paragraph due to the quadratic computational complexity of self-attention with respect to input text length. In this paper, we address the issue by proposing the Siamese Multi-depth Transformer-based Hierarchical (SMITH) Encoder for long-form document matching. Our model contains several innovations to adapt self-attention models for longer text input. In order to better capture sentence level semantic relations within a document, we pre-train the model with a novel masked sentence block language modeling task in addition to the masked word language modeling task used by BERT. Our experimental results on several benchmark datasets for long-form document matching show that our proposed SMITH model outperforms the previous state-of-the-art models including hierarchical attention, multi-depth attention-based hierarchical recurrent neural network, and BERT. Comparing to BERT based baselines, our model is able to increase maximum input text length from 512 to 2048. We will open source a Wikipedia based benchmark dataset, code and a pre-trained checkpoint to accelerate future research on long-form document matching.

Multi-modal semantic segmentation significantly enhances AI agents' perception and scene understanding, especially under adverse conditions like low-light or overexposed environments. Leveraging additional modalities (X-modality) like thermal and depth alongside traditional RGB provides complementary information, enabling more robust and reliable segmentation. In this work, we introduce Sigma, a Siamese Mamba network for multi-modal semantic segmentation, utilizing the Selective Structured State Space Model, Mamba. Unlike conventional methods that rely on CNNs, with their limited local receptive fields, or Vision Transformers (ViTs), which offer global receptive fields at the cost of quadratic complexity, our model achieves global receptive fields coverage with linear complexity. By employing a Siamese encoder and innovating a Mamba fusion mechanism, we effectively select essential information from different modalities. A decoder is then developed to enhance the channel-wise modeling ability of the model. Our method, Sigma, is rigorously evaluated on both RGB-Thermal and RGB-Depth segmentation tasks, demonstrating its superiority and marking the first successful application of State Space Models (SSMs) in multi-modal perception tasks. Code is available at https://github.com/zifuwan/Sigma.

Diffusion models have been recognized for their ability to generate images that are not only visually appealing but also of high artistic quality. As a result, Layout-to-Image (L2I) generation has been proposed to leverage region-specific positions and descriptions to enable more precise and controllable generation. However, previous methods primarily focus on UNet-based models (e.g., SD1.5 and SDXL), and limited effort has explored Multimodal Diffusion Transformers (MM-DiTs), which have demonstrated powerful image generation capabilities. Enabling MM-DiT for layout-to-image generation seems straightforward but is challenging due to the complexity of how layout is introduced, integrated, and balanced among multiple modalities. To this end, we explore various network variants to efficiently incorporate layout guidance into MM-DiT, and ultimately present SiamLayout. To Inherit the advantages of MM-DiT, we use a separate set of network weights to process the layout, treating it as equally important as the image and text modalities. Meanwhile, to alleviate the competition among modalities, we decouple the image-layout interaction into a siamese branch alongside the image-text one and fuse them in the later stage. Moreover, we contribute a large-scale layout dataset, named LayoutSAM, which includes 2.7 million image-text pairs and 10.7 million entities. Each entity is annotated with a bounding box and a detailed description. We further construct the LayoutSAM-Eval benchmark as a comprehensive tool for evaluating the L2I generation quality. Finally, we introduce the Layout Designer, which taps into the potential of large language models in layout planning, transforming them into experts in layout generation and optimization. Our code, model, and dataset will be available at https://creatilayout.github.io.

Deep learning methods have led to significant improvements in the performance on the facial landmark detection (FLD) task. However, detecting landmarks in challenging settings, such as head pose changes, exaggerated expressions, or uneven illumination, continue to remain a challenge due to high variability and insufficient samples. This inadequacy can be attributed to the model's inability to effectively acquire appropriate facial structure information from the input images. To address this, we propose a novel image augmentation technique specifically designed for the FLD task to enhance the model's understanding of facial structures. To effectively utilize the newly proposed augmentation technique, we employ a Siamese architecture-based training mechanism with a Deep Canonical Correlation Analysis (DCCA)-based loss to achieve collective learning of high-level feature representations from two different views of the input images. Furthermore, we employ a Transformer + CNN-based network with a custom hourglass module as the robust backbone for the Siamese framework. Extensive experiments show that our approach outperforms multiple state-of-the-art approaches across various benchmark datasets.

We propose Masked Siamese Networks (MSN), a self-supervised learning framework for learning image representations. Our approach matches the representation of an image view containing randomly masked patches to the representation of the original unmasked image. This self-supervised pre-training strategy is particularly scalable when applied to Vision Transformers since only the unmasked patches are processed by the network. As a result, MSNs improve the scalability of joint-embedding architectures, while producing representations of a high semantic level that perform competitively on low-shot image classification. For instance, on ImageNet-1K, with only 5,000 annotated images, our base MSN model achieves 72.4% top-1 accuracy, and with 1% of ImageNet-1K labels, we achieve 75.7% top-1 accuracy, setting a new state-of-the-art for self-supervised learning on this benchmark. Our code is publicly available.

This paper presents a transformer-based Siamese network architecture (abbreviated by ChangeFormer) for Change Detection (CD) from a pair of co-registered remote sensing images. Different from recent CD frameworks, which are based on fully convolutional networks (ConvNets), the proposed method unifies hierarchically structured transformer encoder with Multi-Layer Perception (MLP) decoder in a Siamese network architecture to efficiently render multi-scale long-range details required for accurate CD. Experiments on two CD datasets show that the proposed end-to-end trainable ChangeFormer architecture achieves better CD performance than previous counterparts. Our code is available at https://github.com/wgcban/ChangeFormer.

Siamese networks have become a common structure in various recent models for unsupervised visual representation learning. These models maximize the similarity between two augmentations of one image, subject to certain conditions for avoiding collapsing solutions. In this paper, we report surprising empirical results that simple Siamese networks can learn meaningful representations even using none of the following: (i) negative sample pairs, (ii) large batches, (iii) momentum encoders. Our experiments show that collapsing solutions do exist for the loss and structure, but a stop-gradient operation plays an essential role in preventing collapsing. We provide a hypothesis on the implication of stop-gradient, and further show proof-of-concept experiments verifying it. Our "SimSiam" method achieves competitive results on ImageNet and downstream tasks. We hope this simple baseline will motivate people to rethink the roles of Siamese architectures for unsupervised representation learning. Code will be made available.

Large Lanugage Models (LLMs) are gaining increasing popularity in a variety of use cases, from language understanding and writing to assistance in application development. One of the most important aspects for optimal funcionality of LLMs is embedding layers. Word embeddings are distributed representations of words in a continuous vector space. In the context of LLMs, words or tokens from the input text are transformed into high-dimensional vectors using unique algorithms specific to the model. Our research examines the embedding algorithms from leading companies in the industry, such as OpenAI, Google's PaLM, and BERT. Using medical data, we have analyzed similarity scores of each embedding layer, observing differences in performance among each algorithm. To enhance each model and provide an additional encoding layer, we also implemented Siamese Neural Networks. After observing changes in performance with the addition of the model, we measured the carbon footage per epoch of training. The carbon footprint associated with large language models (LLMs) is a significant concern, and should be taken into consideration when selecting algorithms for a variety of use cases. Overall, our research compared the accuracy different, leading embedding algorithms and their carbon footage, allowing for a holistic review of each embedding algorithm.

Despite the success of Siamese encoder models such as sentence transformers (ST), little is known about the aspects of inputs they pay attention to. A barrier is that their predictions cannot be attributed to individual features, as they compare two inputs rather than processing a single one. This paper derives a local attribution method for Siamese encoders by generalizing the principle of integrated gradients to models with multiple inputs. The solution takes the form of feature-pair attributions, and can be reduced to a token-token matrix for STs. Our method involves the introduction of integrated Jacobians and inherits the advantageous formal properties of integrated gradients: it accounts for the model's full computation graph and is guaranteed to converge to the actual prediction. A pilot study shows that in an ST few token-pairs can often explain large fractions of predictions, and it focuses on nouns and verbs. For accurate predictions, it however needs to attend to the majority of tokens and parts of speech.

In the domain of computer vision, the restoration of missing information in video frames is a critical challenge, particularly in applications such as autonomous driving and surveillance systems. This paper introduces the Siamese Masked Conditional Variational Autoencoder (SiamMCVAE), leveraging a siamese architecture with twin encoders based on vision transformers. This innovative design enhances the model's ability to comprehend lost content by capturing intrinsic similarities between paired frames. SiamMCVAE proficiently reconstructs missing elements in masked frames, effectively addressing issues arising from camera malfunctions through variational inferences. Experimental results robustly demonstrate the model's effectiveness in restoring missing information, thus enhancing the resilience of computer vision systems. The incorporation of Siamese Vision Transformer (SiamViT) encoders in SiamMCVAE exemplifies promising potential for addressing real-world challenges in computer vision, reinforcing the adaptability of autonomous systems in dynamic environments.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections between the words in a sequence. Such architecture does not leverage the graph connectivity inductive bias, and can perform poorly when the graph topology is important and has not been encoded into the node features. We introduce a graph transformer with four new properties compared to the standard model. First, the attention mechanism is a function of the neighborhood connectivity for each node in the graph. Second, the positional encoding is represented by the Laplacian eigenvectors, which naturally generalize the sinusoidal positional encodings often used in NLP. Third, the layer normalization is replaced by a batch normalization layer, which provides faster training and better generalization performance. Finally, the architecture is extended to edge feature representation, which can be critical to tasks s.a. chemistry (bond type) or link prediction (entity relationship in knowledge graphs). Numerical experiments on a graph benchmark demonstrate the performance of the proposed graph transformer architecture. This work closes the gap between the original transformer, which was designed for the limited case of line graphs, and graph neural networks, that can work with arbitrary graphs. As our architecture is simple and generic, we believe it can be used as a black box for future applications that wish to consider transformer and graphs.

The execution of graph algorithms using neural networks has recently attracted significant interest due to promising empirical progress. This motivates further understanding of how neural networks can replicate reasoning steps with relational data. In this work, we study the ability of transformer networks to simulate algorithms on graphs from a theoretical perspective. The architecture that we utilize is a looped transformer with extra attention heads that interact with the graph. We prove by construction that this architecture can simulate algorithms such as Dijkstra's shortest path algorithm, Breadth- and Depth-First Search, and Kosaraju's strongly connected components algorithm. The width of the network does not increase with the size of the input graph, which implies that the network can simulate the above algorithms for any graph. Despite this property, we show that there is a limit to simulation in our solution due to finite precision. Finally, we show a Turing Completeness result with constant width when the extra attention heads are utilized.

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with feed-forward networks, enabling a more expressive representation of relationships between tokens. This approach modifies only the attention matrix calculation while preserving the matrix dimensions, making it easily adaptable to existing transformer-based architectures. We provide a detailed mathematical justification for why Neural Attention increases representational capacity and conduct controlled experiments to validate this claim. When comparing Neural Attention and Dot-Product Attention, NLP experiments on WikiText-103 show a reduction in perplexity of over 5 percent. Similarly, experiments on CIFAR-10 and CIFAR-100 show comparable improvements for image classification tasks. While Neural Attention introduces higher computational demands, we develop techniques to mitigate these challenges, ensuring practical usability without sacrificing the increased expressivity it provides. This work establishes Neural Attention as an effective means of enhancing the predictive capabilities of transformer models across a variety of applications.

Graph transformers are a recent advancement in machine learning, offering a new class of neural network models for graph-structured data. The synergy between transformers and graph learning demonstrates strong performance and versatility across various graph-related tasks. This survey provides an in-depth review of recent progress and challenges in graph transformer research. We begin with foundational concepts of graphs and transformers. We then explore design perspectives of graph transformers, focusing on how they integrate graph inductive biases and graph attention mechanisms into the transformer architecture. Furthermore, we propose a taxonomy classifying graph transformers based on depth, scalability, and pre-training strategies, summarizing key principles for effective development of graph transformer models. Beyond technical analysis, we discuss the applications of graph transformer models for node-level, edge-level, and graph-level tasks, exploring their potential in other application scenarios as well. Finally, we identify remaining challenges in the field, such as scalability and efficiency, generalization and robustness, interpretability and explainability, dynamic and complex graphs, as well as data quality and diversity, charting future directions for graph transformer research.

Utilizing pre-trained language models has achieved great success for neural document ranking. Limited by the computational and memory requirements, long document modeling becomes a critical issue. Recent works propose to modify the full attention matrix in Transformer by designing sparse attention patterns. However, most of them only focus on local connections of terms within a fixed-size window. How to build suitable remote connections between terms to better model document representation remains underexplored. In this paper, we propose the model Socialformer, which introduces the characteristics of social networks into designing sparse attention patterns for long document modeling in document ranking. Specifically, we consider several attention patterns to construct a graph like social networks. Endowed with the characteristic of social networks, most pairs of nodes in such a graph can reach with a short path while ensuring the sparsity. To facilitate efficient calculation, we segment the graph into multiple subgraphs to simulate friend circles in social scenarios. Experimental results confirm the effectiveness of our model on long document modeling.

The key idea of current deep learning methods for dense prediction is to apply a model on a regular patch centered on each pixel to make pixel-wise predictions. These methods are limited in the sense that the patches are determined by network architecture instead of learned from data. In this work, we propose the dense transformer networks, which can learn the shapes and sizes of patches from data. The dense transformer networks employ an encoder-decoder architecture, and a pair of dense transformer modules are inserted into each of the encoder and decoder paths. The novelty of this work is that we provide technical solutions for learning the shapes and sizes of patches from data and efficiently restoring the spatial correspondence required for dense prediction. The proposed dense transformer modules are differentiable, thus the entire network can be trained. We apply the proposed networks on natural and biological image segmentation tasks and show superior performance is achieved in comparison to baseline methods.

This work presents an analysis of the effectiveness of using standard shallow feed-forward networks to mimic the behavior of the attention mechanism in the original Transformer model, a state-of-the-art architecture for sequence-to-sequence tasks. We substitute key elements of the attention mechanism in the Transformer with simple feed-forward networks, trained using the original components via knowledge distillation. Our experiments, conducted on the IWSLT2017 dataset, reveal the capacity of these "attentionless Transformers" to rival the performance of the original architecture. Through rigorous ablation studies, and experimenting with various replacement network types and sizes, we offer insights that support the viability of our approach. This not only sheds light on the adaptability of shallow feed-forward networks in emulating attention mechanisms but also underscores their potential to streamline complex architectures for sequence-to-sequence tasks.

We present the Power Law Graph Transformer, a transformer model with well defined deductive and inductive tasks for prediction and representation learning. The deductive task learns the dataset level (global) and instance level (local) graph structures in terms of learnable power law distribution parameters. The inductive task outputs the prediction probabilities using the deductive task output, similar to a transductive model. We trained our model with Turkish-English and Portuguese-English datasets from TED talk transcripts for machine translation and compared the model performance and characteristics to a transformer model with scaled dot product attention trained on the same experimental setup. We report BLEU scores of 17.79 and 28.33 on the Turkish-English and Portuguese-English translation tasks with our model, respectively. We also show how a duality between a quantization set and N-dimensional manifold representation can be leveraged to transform between local and global deductive-inductive outputs using successive application of linear and non-linear transformations end-to-end.

Attention matrices are fundamental to transformer research, supporting a broad range of applications including interpretability, visualization, manipulation, and distillation. Yet, most existing analyses focus on individual attention heads or layers, failing to account for the model's global behavior. While prior efforts have extended attention formulations across multiple heads via averaging and matrix multiplications or incorporated components such as normalization and FFNs, a unified and complete representation that encapsulates all transformer blocks is still lacking. We address this gap by introducing TensorLens, a novel formulation that captures the entire transformer as a single, input-dependent linear operator expressed through a high-order attention-interaction tensor. This tensor jointly encodes attention, FFNs, activations, normalizations, and residual connections, offering a theoretically coherent and expressive linear representation of the model's computation. TensorLens is theoretically grounded and our empirical validation shows that it yields richer representations than previous attention-aggregation methods. Our experiments demonstrate that the attention tensor can serve as a powerful foundation for developing tools aimed at interpretability and model understanding. Our code is attached as a supplementary.

Graph transformers (GTs) have emerged as a promising architecture that is theoretically more expressive than message-passing graph neural networks (GNNs). However, typical GT models have at least quadratic complexity and thus cannot scale to large graphs. While there are several linear GTs recently proposed, they still lag behind GNN counterparts on several popular graph datasets, which poses a critical concern on their practical expressivity. To balance the trade-off between expressivity and scalability of GTs, we propose Polynormer, a polynomial-expressive GT model with linear complexity. Polynormer is built upon a novel base model that learns a high-degree polynomial on input features. To enable the base model permutation equivariant, we integrate it with graph topology and node features separately, resulting in local and global equivariant attention models. Consequently, Polynormer adopts a linear local-to-global attention scheme to learn high-degree equivariant polynomials whose coefficients are controlled by attention scores. Polynormer has been evaluated on 13 homophilic and heterophilic datasets, including large graphs with millions of nodes. Our extensive experiment results show that Polynormer outperforms state-of-the-art GNN and GT baselines on most datasets, even without the use of nonlinear activation functions.

Transformers are powerful sequence models, but require time and memory that grows quadratically with the sequence length. In this paper we introduce sparse factorizations of the attention matrix which reduce this to O(n n). We also introduce a) a variation on architecture and initialization to train deeper networks, b) the recomputation of attention matrices to save memory, and c) fast attention kernels for training. We call networks with these changes Sparse Transformers, and show they can model sequences tens of thousands of timesteps long using hundreds of layers. We use the same architecture to model images, audio, and text from raw bytes, setting a new state of the art for density modeling of Enwik8, CIFAR-10, and ImageNet-64. We generate unconditional samples that demonstrate global coherence and great diversity, and show it is possible in principle to use self-attention to model sequences of length one million or more.

We propose a novel neural network architecture, the normalized Transformer (nGPT) with representation learning on the hypersphere. In nGPT, all vectors forming the embeddings, MLP, attention matrices and hidden states are unit norm normalized. The input stream of tokens travels on the surface of a hypersphere, with each layer contributing a displacement towards the target output predictions. These displacements are defined by the MLP and attention blocks, whose vector components also reside on the same hypersphere. Experiments show that nGPT learns much faster, reducing the number of training steps required to achieve the same accuracy by a factor of 4 to 20, depending on the sequence length.

Vision Transformer (ViT) demonstrates that Transformer for natural language processing can be applied to computer vision tasks and result in comparable performance to convolutional neural networks (CNN), which have been studied and adopted in computer vision for years. This naturally raises the question of how the performance of ViT can be advanced with design techniques of CNN. To this end, we propose to incorporate two techniques and present ViT-ResNAS, an efficient multi-stage ViT architecture designed with neural architecture search (NAS). First, we propose residual spatial reduction to decrease sequence lengths for deeper layers and utilize a multi-stage architecture. When reducing lengths, we add skip connections to improve performance and stabilize training deeper networks. Second, we propose weight-sharing NAS with multi-architectural sampling. We enlarge a network and utilize its sub-networks to define a search space. A super-network covering all sub-networks is then trained for fast evaluation of their performance. To efficiently train the super-network, we propose to sample and train multiple sub-networks with one forward-backward pass. After that, evolutionary search is performed to discover high-performance network architectures. Experiments on ImageNet demonstrate that ViT-ResNAS achieves better accuracy-MACs and accuracy-throughput trade-offs than the original DeiT and other strong baselines of ViT. Code is available at https://github.com/yilunliao/vit-search.

Today's denoising diffusion models do not "denoise" in the classical sense, i.e., they do not directly predict clean images. Rather, the neural networks predict noise or a noised quantity. In this paper, we suggest that predicting clean data and predicting noised quantities are fundamentally different. According to the manifold assumption, natural data should lie on a low-dimensional manifold, whereas noised quantities do not. With this assumption, we advocate for models that directly predict clean data, which allows apparently under-capacity networks to operate effectively in very high-dimensional spaces. We show that simple, large-patch Transformers on pixels can be strong generative models: using no tokenizer, no pre-training, and no extra loss. Our approach is conceptually nothing more than "Just image Transformers", or JiT, as we call it. We report competitive results using JiT with large patch sizes of 16 and 32 on ImageNet at resolutions of 256 and 512, where predicting high-dimensional noised quantities can fail catastrophically. With our networks mapping back to the basics of the manifold, our research goes back to basics and pursues a self-contained paradigm for Transformer-based diffusion on raw natural data.

Recent work has shown that training loss scales as a power law with both model size and the number of tokens, and that achieving compute-optimal models requires scaling model size and token count together. However, these scaling laws assume an infinite supply of data and apply primarily in compute-bound settings. As modern large language models increasingly rely on massive internet-scale datasets, the assumption that they are compute-bound is becoming less valid. This shift highlights the need for architectures that prioritize token efficiency. In this work, we investigate the use of the 2-simplicial Transformer, an architecture that generalizes standard dot-product attention to trilinear functions through an efficient Triton kernel implementation. We demonstrate that the 2-simplicial Transformer achieves better token efficiency than standard Transformers: for a fixed token budget, similarly sized models outperform their dot-product counterparts on tasks involving mathematics, coding, reasoning, and logic. We quantify these gains by demonstrating that 2-simplicial attention changes the exponent in the scaling laws for knowledge and reasoning tasks compared to dot product attention.

Recent years have seen a phenomenal rise in performance and applications of transformer neural networks. The family of transformer networks, including Bidirectional Encoder Representations from Transformer (BERT), Generative Pretrained Transformer (GPT) and Vision Transformer (ViT), have shown their effectiveness across Natural Language Processing (NLP) and Computer Vision (CV) domains. Transformer-based networks such as ChatGPT have impacted the lives of common men. However, the quest for high predictive performance has led to an exponential increase in transformers' memory and compute footprint. Researchers have proposed techniques to optimize transformer inference at all levels of abstraction. This paper presents a comprehensive survey of techniques for optimizing the inference phase of transformer networks. We survey techniques such as knowledge distillation, pruning, quantization, neural architecture search and lightweight network design at the algorithmic level. We further review hardware-level optimization techniques and the design of novel hardware accelerators for transformers. We summarize the quantitative results on the number of parameters/FLOPs and accuracy of several models/techniques to showcase the tradeoff exercised by them. We also outline future directions in this rapidly evolving field of research. We believe that this survey will educate both novice and seasoned researchers and also spark a plethora of research efforts in this field.

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input functions, and complexity of the PDEs' solution. To address these challenges, we propose a general neural operator transformer (GNOT), a scalable and effective transformer-based framework for learning operators. By designing a novel heterogeneous normalized attention layer, our model is highly flexible to handle multiple input functions and irregular meshes. Besides, we introduce a geometric gating mechanism which could be viewed as a soft domain decomposition to solve the multi-scale problems. The large model capacity of the transformer architecture grants our model the possibility to scale to large datasets and practical problems. We conduct extensive experiments on multiple challenging datasets from different domains and achieve a remarkable improvement compared with alternative methods. Our code and data are publicly available at https://github.com/thu-ml/GNOT.

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.

Transformer models are foundational to natural language processing (NLP) and computer vision. Despite various recent works devoted to reducing the quadratic cost of such models (as a function of the sequence length n), dealing with ultra long sequences efficiently (e.g., with more than 16K tokens) remains challenging. Applications such as answering questions based on an entire book or summarizing a scientific article are inefficient or infeasible. In this paper, we propose to significantly reduce the dependency of a Transformer model's complexity on n, by compressing the input into a representation whose size r is independent of n at each layer. Specifically, by exploiting the fact that in many tasks, only a small subset of special tokens (we call VIP-tokens) are most relevant to the final prediction, we propose a VIP-token centric compression (Vcc) scheme which selectively compresses the input sequence based on their impact on approximating the representation of these VIP-tokens. Compared with competitive baselines, the proposed algorithm not only is efficient (achieving more than 3times efficiency improvement compared to baselines on 4K and 16K lengths), but also achieves competitive or better performance on a large number of tasks. Further, we show that our algorithm can be scaled to 128K tokens (or more) while consistently offering accuracy improvement.

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

Understanding Transformer-based models has attracted significant attention, as they lie at the heart of recent technological advances across machine learning. While most interpretability methods rely on running models over inputs, recent work has shown that a zero-pass approach, where parameters are interpreted directly without a forward/backward pass is feasible for some Transformer parameters, and for two-layer attention networks. In this work, we present a theoretical analysis where all parameters of a trained Transformer are interpreted by projecting them into the embedding space, that is, the space of vocabulary items they operate on. We derive a simple theoretical framework to support our arguments and provide ample evidence for its validity. First, an empirical analysis showing that parameters of both pretrained and fine-tuned models can be interpreted in embedding space. Second, we present two applications of our framework: (a) aligning the parameters of different models that share a vocabulary, and (b) constructing a classifier without training by ``translating'' the parameters of a fine-tuned classifier to parameters of a different model that was only pretrained. Overall, our findings open the door to interpretation methods that, at least in part, abstract away from model specifics and operate in the embedding space only.

Transformer recently has presented encouraging progress in computer vision. In this work, we present new baselines by improving the original Pyramid Vision Transformer (PVT v1) by adding three designs, including (1) linear complexity attention layer, (2) overlapping patch embedding, and (3) convolutional feed-forward network. With these modifications, PVT v2 reduces the computational complexity of PVT v1 to linear and achieves significant improvements on fundamental vision tasks such as classification, detection, and segmentation. Notably, the proposed PVT v2 achieves comparable or better performances than recent works such as Swin Transformer. We hope this work will facilitate state-of-the-art Transformer researches in computer vision. Code is available at https://github.com/whai362/PVT.

Transformer-based methods have shown impressive performance in low-level vision tasks, such as image super-resolution. However, we find that these networks can only utilize a limited spatial range of input information through attribution analysis. This implies that the potential of Transformer is still not fully exploited in existing networks. In order to activate more input pixels for better reconstruction, we propose a novel Hybrid Attention Transformer (HAT). It combines both channel attention and window-based self-attention schemes, thus making use of their complementary advantages of being able to utilize global statistics and strong local fitting capability. Moreover, to better aggregate the cross-window information, we introduce an overlapping cross-attention module to enhance the interaction between neighboring window features. In the training stage, we additionally adopt a same-task pre-training strategy to exploit the potential of the model for further improvement. Extensive experiments show the effectiveness of the proposed modules, and we further scale up the model to demonstrate that the performance of this task can be greatly improved. Our overall method significantly outperforms the state-of-the-art methods by more than 1dB. Codes and models are available at https://github.com/XPixelGroup/HAT.

The Transformer architecture has achieved significant success in natural language processing, motivating its adaptation to computer vision tasks. Unlike convolutional neural networks, vision transformers inherently capture long-range dependencies and enable parallel processing, yet lack inductive biases and efficiency benefits, facing significant computational and memory challenges that limit its real-world applicability. This paper surveys various online strategies for generating lightweight vision transformers for image recognition, focusing on three key areas: Efficient Component Design, Dynamic Network, and Knowledge Distillation. We evaluate the relevant exploration for each topic on the ImageNet-1K benchmark, analyzing trade-offs among precision, parameters, throughput, and more to highlight their respective advantages, disadvantages, and flexibility. Finally, we propose future research directions and potential challenges in the lightweighting of vision transformers with the aim of inspiring further exploration and providing practical guidance for the community. Project Page: https://github.com/ajxklo/Lightweight-VIT

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining accuracy competitive with message-passing networks. In this paper, we introduce Exphormer, a framework for building powerful and scalable graph transformers. Exphormer consists of a sparse attention mechanism based on two mechanisms: virtual global nodes and expander graphs, whose mathematical characteristics, such as spectral expansion, pseduorandomness, and sparsity, yield graph transformers with complexity only linear in the size of the graph, while allowing us to prove desirable theoretical properties of the resulting transformer models. We show that incorporating Exphormer into the recently-proposed GraphGPS framework produces models with competitive empirical results on a wide variety of graph datasets, including state-of-the-art results on three datasets. We also show that Exphormer can scale to datasets on larger graphs than shown in previous graph transformer architectures. Code can be found at https://github.com/hamed1375/Exphormer.

Attention-based neural networks such as the Vision Transformer (ViT) have recently attained state-of-the-art results on many computer vision benchmarks. Scale is a primary ingredient in attaining excellent results, therefore, understanding a model's scaling properties is a key to designing future generations effectively. While the laws for scaling Transformer language models have been studied, it is unknown how Vision Transformers scale. To address this, we scale ViT models and data, both up and down, and characterize the relationships between error rate, data, and compute. Along the way, we refine the architecture and training of ViT, reducing memory consumption and increasing accuracy of the resulting models. As a result, we successfully train a ViT model with two billion parameters, which attains a new state-of-the-art on ImageNet of 90.45% top-1 accuracy. The model also performs well for few-shot transfer, for example, reaching 84.86% top-1 accuracy on ImageNet with only 10 examples per class.

Sparsely activated models (SAMs), such as Mixture-of-Experts (MoE), can easily scale to have outrageously large amounts of parameters without significant increase in computational cost. However, SAMs are reported to be parameter inefficient such that larger models do not always lead to better performance. While most on-going research focuses on improving SAMs models by exploring methods of routing inputs to experts, our analysis reveals that such research might not lead to the solution we expect, i.e., the commonly-used routing methods based on gating mechanisms do not work better than randomly routing inputs to experts. In this paper, we propose a new expert-based model, THOR (Transformer witH StOchastic ExpeRts). Unlike classic expert-based models, such as the Switch Transformer, experts in THOR are randomly activated for each input during training and inference. THOR models are trained using a consistency regularized loss, where experts learn not only from training data but also from other experts as teachers, such that all the experts make consistent predictions. We validate the effectiveness of THOR on machine translation tasks. Results show that THOR models are more parameter efficient in that they significantly outperform the Transformer and MoE models across various settings. For example, in multilingual translation, THOR outperforms the Switch Transformer by 2 BLEU scores, and obtains the same BLEU score as that of a state-of-the-art MoE model that is 18 times larger. Our code is publicly available at: https://github.com/microsoft/Stochastic-Mixture-of-Experts.

Transformers have found extensive applications across various domains due to the powerful fitting capabilities. This success can be partially attributed to their inherent nonlinearity. Thus, in addition to the ReLU function employed in the original transformer architecture, researchers have explored alternative modules such as GeLU and SwishGLU to enhance nonlinearity and thereby augment representational capacity. In this paper, we propose a novel category of polynomial composition activations (PolyCom), designed to optimize the dynamics of transformers. Theoretically, we provide a comprehensive mathematical analysis of PolyCom, highlighting its enhanced expressivity and efficacy relative to other activation functions. Notably, we demonstrate that networks incorporating PolyCom achieve the optimal approximation rate, indicating that PolyCom networks require minimal parameters to approximate general smooth functions in Sobolev spaces. We conduct empirical experiments on the pre-training configurations of large language models (LLMs), including both dense and sparse architectures. By substituting conventional activation functions with PolyCom, we enable LLMs to capture higher-order interactions within the data, thus improving performance metrics in terms of accuracy and convergence rates. Extensive experimental results demonstrate the effectiveness of our method, showing substantial improvements over other activation functions. Code is available at https://github.com/BryceZhuo/PolyCom.

Transformers based on the attention mechanism have achieved impressive success in various areas. However, the attention mechanism has a quadratic complexity, significantly impeding Transformers from dealing with numerous tokens and scaling up to bigger models. Previous methods mainly utilize the similarity decomposition and the associativity of matrix multiplication to devise linear-time attention mechanisms. They avoid degeneration of attention to a trivial distribution by reintroducing inductive biases such as the locality, thereby at the expense of model generality and expressiveness. In this paper, we linearize Transformers free from specific inductive biases based on the flow network theory. We cast attention as the information flow aggregated from the sources (values) to the sinks (results) through the learned flow capacities (attentions). Within this framework, we apply the property of flow conservation into attention and propose the Flow-Attention mechanism of linear complexity. By respectively conserving the incoming flow of sinks for source competition and the outgoing flow of sources for sink allocation, Flow-Attention inherently generates informative attentions without using specific inductive biases. Empowered by the Flow-Attention, Flowformer yields strong performance in linear time for wide areas, including long sequence, time series, vision, natural language, and reinforcement learning. The code and settings are available at this repository: https://github.com/thuml/Flowformer.

Temporal Graph Neural Networks have garnered substantial attention for their capacity to model evolving structural and temporal patterns while exhibiting impressive performance. However, it is known that these architectures are encumbered by issues that constrain their performance, such as over-squashing and over-smoothing. Meanwhile, Transformers have demonstrated exceptional computational capacity to effectively address challenges related to long-range dependencies. Consequently, we introduce Todyformer-a novel Transformer-based neural network tailored for dynamic graphs. It unifies the local encoding capacity of Message-Passing Neural Networks (MPNNs) with the global encoding of Transformers through i) a novel patchifying paradigm for dynamic graphs to improve over-squashing, ii) a structure-aware parametric tokenization strategy leveraging MPNNs, iii) a Transformer with temporal positional-encoding to capture long-range dependencies, and iv) an encoding architecture that alternates between local and global contextualization, mitigating over-smoothing in MPNNs. Experimental evaluations on public benchmark datasets demonstrate that Todyformer consistently outperforms the state-of-the-art methods for downstream tasks. Furthermore, we illustrate the underlying aspects of the proposed model in effectively capturing extensive temporal dependencies in dynamic graphs.

Timeseries analytics is of great importance in many real-world applications. Recently, the Transformer model, popular in natural language processing, has been leveraged to learn high quality feature embeddings from timeseries, core to the performance of various timeseries analytics tasks. However, the quadratic time and space complexities limit Transformers' scalability, especially for long timeseries. To address these issues, we develop a timeseries analytics tool, RITA, which uses a novel attention mechanism, named group attention, to address this scalability issue. Group attention dynamically clusters the objects based on their similarity into a small number of groups and approximately computes the attention at the coarse group granularity. It thus significantly reduces the time and space complexity, yet provides a theoretical guarantee on the quality of the computed attention. The dynamic scheduler of RITA continuously adapts the number of groups and the batch size in the training process, ensuring group attention always uses the fewest groups needed to meet the approximation quality requirement. Extensive experiments on various timeseries datasets and analytics tasks demonstrate that RITA outperforms the state-of-the-art in accuracy and is significantly faster -- with speedups of up to 63X.

Currently, prominent Transformer architectures applied on graphs and meshes for shape analysis tasks employ traditional attention layers that heavily utilize spectral features requiring costly eigenvalue decomposition-based methods. To encode the mesh structure, these methods derive positional embeddings, that heavily rely on eigenvalue decomposition based operations, e.g. on the Laplacian matrix, or on heat-kernel signatures, which are then concatenated to the input features. This paper proposes a novel approach inspired by the explicit construction of the Hodge Laplacian operator in Discrete Exterior Calculus as a product of discrete Hodge operators and exterior derivatives, i.e. (L := star_0^{-1} d_0^T star_1 d_0). We adjust the Transformer architecture in a novel deep learning layer that utilizes the multi-head attention mechanism to approximate Hodge matrices star_0, star_1 and star_2 and learn families of discrete operators L that act on mesh vertices, edges and faces. Our approach results in a computationally-efficient architecture that achieves comparable performance in mesh segmentation and classification tasks, through a direct learning framework, while eliminating the need for costly eigenvalue decomposition operations or complex preprocessing operations.

This paper investigates the key role of Feed-Forward Networks (FFNs) in transformer models by utilizing the Parallel Attention and Feed-Forward Net Design (PAF) architecture, and comparing it to their Series Attention and Feed-Forward Net Design (SAF) counterparts. Central to the effectiveness of PAF are two main assumptions regarding the FFN block and the attention block within a layer: 1) the primary function of the FFN block is to maintain isotropy among token embeddings and prevent their degeneration, and 2) the residual norm computed in the attention block is substantially smaller than the input token embedding norm. To empirically validate these assumptions, we train PAF variants of two large language models (RoBERTa-large and bert-large-uncased). Our results demonstrate that both assumptions hold true in the PAF design. This study contributes to a deeper understanding of the roles and interactions between FFNs and self-attention mechanisms in transformer architectures.

Transformer is a new kind of neural architecture which encodes the input data as powerful features via the attention mechanism. Basically, the visual transformers first divide the input images into several local patches and then calculate both representations and their relationship. Since natural images are of high complexity with abundant detail and color information, the granularity of the patch dividing is not fine enough for excavating features of objects in different scales and locations. In this paper, we point out that the attention inside these local patches are also essential for building visual transformers with high performance and we explore a new architecture, namely, Transformer iN Transformer (TNT). Specifically, we regard the local patches (e.g., 16times16) as "visual sentences" and present to further divide them into smaller patches (e.g., 4times4) as "visual words". The attention of each word will be calculated with other words in the given visual sentence with negligible computational costs. Features of both words and sentences will be aggregated to enhance the representation ability. Experiments on several benchmarks demonstrate the effectiveness of the proposed TNT architecture, e.g., we achieve an 81.5% top-1 accuracy on the ImageNet, which is about 1.7% higher than that of the state-of-the-art visual transformer with similar computational cost. The PyTorch code is available at https://github.com/huawei-noah/CV-Backbones, and the MindSpore code is available at https://gitee.com/mindspore/models/tree/master/research/cv/TNT.

Recent advances in deep learning have established Transformer architectures as the predominant modeling paradigm. Central to the success of Transformers is the self-attention mechanism, which scores the similarity between query and key matrices to modulate a value matrix. This operation bears striking similarities to digraph convolution, prompting an investigation into whether digraph convolution could serve as an alternative to self-attention. In this study, we formalize this concept by introducing a synthetic unitary digraph convolution based on the digraph Fourier transform. The resulting model, which we term Converter, effectively converts a Transformer into a Directed Graph Neural Network (DGNN) form. We have tested Converter on Long-Range Arena benchmark, long document classification, and DNA sequence-based taxonomy classification. Our experimental results demonstrate that Converter achieves superior performance while maintaining computational efficiency and architectural simplicity, which establishes it as a lightweight yet powerful Transformer variant.

Transformer-based architectures achieved breakthrough performance in natural language processing and computer vision, yet they remain inferior to simpler linear baselines in multivariate long-term forecasting. To better understand this phenomenon, we start by studying a toy linear forecasting problem for which we show that transformers are incapable of converging to their true solution despite their high expressive power. We further identify the attention of transformers as being responsible for this low generalization capacity. Building upon this insight, we propose a shallow lightweight transformer model that successfully escapes bad local minima when optimized with sharpness-aware optimization. We empirically demonstrate that this result extends to all commonly used real-world multivariate time series datasets. In particular, SAMformer surpasses current state-of-the-art methods and is on par with the biggest foundation model MOIRAI while having significantly fewer parameters. The code is available at https://github.com/romilbert/samformer.

In recent years, Vision Transformer-based approaches for low-level vision tasks have achieved widespread success. Unlike CNN-based models, Transformers are more adept at capturing long-range dependencies, enabling the reconstruction of images utilizing non-local information. In the domain of super-resolution, Swin-transformer-based models have become mainstream due to their capability of global spatial information modeling and their shifting-window attention mechanism that facilitates the interchange of information between different windows. Many researchers have enhanced model performance by expanding the receptive fields or designing meticulous networks, yielding commendable results. However, we observed that it is a general phenomenon for the feature map intensity to be abruptly suppressed to small values towards the network's end. This implies an information bottleneck and a diminishment of spatial information, implicitly limiting the model's potential. To address this, we propose the Dense-residual-connected Transformer (DRCT), aimed at mitigating the loss of spatial information and stabilizing the information flow through dense-residual connections between layers, thereby unleashing the model's potential and saving the model away from information bottleneck. Experiment results indicate that our approach surpasses state-of-the-art methods on benchmark datasets and performs commendably at the NTIRE-2024 Image Super-Resolution (x4) Challenge. Our source code is available at https://github.com/ming053l/DRCT

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared to mainstream GNN variants. Therefore, it remains a mystery how Transformers could perform well for graph representation learning. In this paper, we solve this mystery by presenting Graphormer, which is built upon the standard Transformer architecture, and could attain excellent results on a broad range of graph representation learning tasks, especially on the recent OGB Large-Scale Challenge. Our key insight to utilizing Transformer in the graph is the necessity of effectively encoding the structural information of a graph into the model. To this end, we propose several simple yet effective structural encoding methods to help Graphormer better model graph-structured data. Besides, we mathematically characterize the expressive power of Graphormer and exhibit that with our ways of encoding the structural information of graphs, many popular GNN variants could be covered as the special cases of Graphormer.

Transformer is a deep neural network that employs a self-attention mechanism to comprehend the contextual relationships within sequential data. Unlike conventional neural networks or updated versions of Recurrent Neural Networks (RNNs) such as Long Short-Term Memory (LSTM), transformer models excel in handling long dependencies between input sequence elements and enable parallel processing. As a result, transformer-based models have attracted substantial interest among researchers in the field of artificial intelligence. This can be attributed to their immense potential and remarkable achievements, not only in Natural Language Processing (NLP) tasks but also in a wide range of domains, including computer vision, audio and speech processing, healthcare, and the Internet of Things (IoT). Although several survey papers have been published highlighting the transformer's contributions in specific fields, architectural differences, or performance evaluations, there is still a significant absence of a comprehensive survey paper encompassing its major applications across various domains. Therefore, we undertook the task of filling this gap by conducting an extensive survey of proposed transformer models from 2017 to 2022. Our survey encompasses the identification of the top five application domains for transformer-based models, namely: NLP, Computer Vision, Multi-Modality, Audio and Speech Processing, and Signal Processing. We analyze the impact of highly influential transformer-based models in these domains and subsequently classify them based on their respective tasks using a proposed taxonomy. Our aim is to shed light on the existing potential and future possibilities of transformers for enthusiastic researchers, thus contributing to the broader understanding of this groundbreaking technology.

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially graph data. Traditional GNNs often face challenges in capturing information from distant vertices effectively. In contrast, Graph Transformer models are particularly adept at managing long-distance node relationships. Despite these advantages, Graph Transformer models still encounter issues with computational and storage efficiency when scaled to large graph datasets. To address these challenges, we propose an innovative Graph Neural Network (GNN) architecture that integrates a Top-m attention mechanism aggregation component and a neighborhood aggregation component, effectively enhancing the model's ability to aggregate relevant information from both local and extended neighborhoods at each layer. This method not only improves computational efficiency but also enriches the node features, facilitating a deeper analysis of complex graph structures. Additionally, to assess the effectiveness of our proposed model, we have applied it to citation sentiment prediction, a novel task previously unexplored in the GNN field. Accordingly, we constructed a dedicated citation network, ArXivNet. In this dataset, we specifically annotated the sentiment polarity of the citations (positive, neutral, negative) to enable in-depth sentiment analysis. Our approach has shown superior performance across a variety of tasks including vertex classification, link prediction, sentiment prediction, graph regression, and visualization. It outperforms existing methods in terms of effectiveness, as demonstrated by experimental results on multiple datasets.

In deep learning theory, the covariance matrix of the representations serves as a proxy to examine the network's trainability. Motivated by the success of Transformers, we study the covariance matrix of a modified Softmax-based attention model with skip connections in the proportional limit of infinite-depth-and-width. We show that at initialization the limiting distribution can be described by a stochastic differential equation (SDE) indexed by the depth-to-width ratio. To achieve a well-defined stochastic limit, the Transformer's attention mechanism is modified by centering the Softmax output at identity, and scaling the Softmax logits by a width-dependent temperature parameter. We examine the stability of the network through the corresponding SDE, showing how the scale of both the drift and diffusion can be elegantly controlled with the aid of residual connections. The existence of a stable SDE implies that the covariance structure is well-behaved, even for very large depth and width, thus preventing the notorious issues of rank degeneracy in deep attention models. Finally, we show, through simulations, that the SDE provides a surprisingly good description of the corresponding finite-size model. We coin the name shaped Transformer for these architectural modifications.

In this work we introduce KERNELIZED TRANSFORMER, a generic, scalable, data driven framework for learning the kernel function in Transformers. Our framework approximates the Transformer kernel as a dot product between spectral feature maps and learns the kernel by learning the spectral distribution. This not only helps in learning a generic kernel end-to-end, but also reduces the time and space complexity of Transformers from quadratic to linear. We show that KERNELIZED TRANSFORMERS achieve performance comparable to existing efficient Transformer architectures, both in terms of accuracy as well as computational efficiency. Our study also demonstrates that the choice of the kernel has a substantial impact on performance, and kernel learning variants are competitive alternatives to fixed kernel Transformers, both in long as well as short sequence tasks.

Transformer networks have lead to important progress in language modeling and machine translation. These models include two consecutive modules, a feed-forward layer and a self-attention layer. The latter allows the network to capture long term dependencies and are often regarded as the key ingredient in the success of Transformers. Building upon this intuition, we propose a new model that solely consists of attention layers. More precisely, we augment the self-attention layers with persistent memory vectors that play a similar role as the feed-forward layer. Thanks to these vectors, we can remove the feed-forward layer without degrading the performance of a transformer. Our evaluation shows the benefits brought by our model on standard character and word level language modeling benchmarks.

Linear transformers aim to reduce the quadratic space-time complexity of vanilla transformers. However, they usually suffer from degraded performances on various tasks and corpus. In this paper, we examine existing kernel-based linear transformers and identify two key issues that lead to such performance gaps: 1) unbounded gradients in the attention computation adversely impact the convergence of linear transformer models; 2) attention dilution which trivially distributes attention scores over long sequences while neglecting neighbouring structures. To address these issues, we first identify that the scaling of attention matrices is the devil in unbounded gradients, which turns out unnecessary in linear attention as we show theoretically and empirically. To this end, we propose a new linear attention that replaces the scaling operation with a normalization to stabilize gradients. For the issue of attention dilution, we leverage a diagonal attention to confine attention to only neighbouring tokens in early layers. Benefiting from the stable gradients and improved attention, our new linear transformer model, transNormer, demonstrates superior performance on text classification and language modeling tasks, as well as on the challenging Long-Range Arena benchmark, surpassing vanilla transformer and existing linear variants by a clear margin while being significantly more space-time efficient. The code is available at https://github.com/OpenNLPLab/Transnormer .

There has been a debate about the superiority between vision Transformers and ConvNets, serving as the backbone of computer vision models. Although they are usually considered as two completely different architectures, in this paper, we interpret vision Transformers as ConvNets with dynamic convolutions, which enables us to characterize existing Transformers and dynamic ConvNets in a unified framework and compare their design choices side by side. In addition, our interpretation can also guide the network design as researchers now can consider vision Transformers from the design space of ConvNets and vice versa. We demonstrate such potential through two specific studies. First, we inspect the role of softmax in vision Transformers as the activation function and find it can be replaced by commonly used ConvNets modules, such as ReLU and Layer Normalization, which results in a faster convergence rate and better performance. Second, following the design of depth-wise convolution, we create a corresponding depth-wise vision Transformer that is more efficient with comparable performance. The potential of the proposed unified interpretation is not limited to the given examples and we hope it can inspire the community and give rise to more advanced network architectures.

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.

Despite the remarkable capabilities of deep neural networks in image recognition, the dependence on activation functions remains a largely unexplored area and has yet to be eliminated. On the other hand, Polynomial Networks is a class of models that does not require activation functions, but have yet to perform on par with modern architectures. In this work, we aim close this gap and propose MONet, which relies solely on multilinear operators. The core layer of MONet, called Mu-Layer, captures multiplicative interactions of the elements of the input token. MONet captures high-degree interactions of the input elements and we demonstrate the efficacy of our approach on a series of image recognition and scientific computing benchmarks. The proposed model outperforms prior polynomial networks and performs on par with modern architectures. We believe that MONet can inspire further research on models that use entirely multilinear operations.

Although convolutional networks have been the dominant architecture for vision tasks for many years, recent experiments have shown that Transformer-based models, most notably the Vision Transformer (ViT), may exceed their performance in some settings. However, due to the quadratic runtime of the self-attention layers in Transformers, ViTs require the use of patch embeddings, which group together small regions of the image into single input features, in order to be applied to larger image sizes. This raises a question: Is the performance of ViTs due to the inherently-more-powerful Transformer architecture, or is it at least partly due to using patches as the input representation? In this paper, we present some evidence for the latter: specifically, we propose the ConvMixer, an extremely simple model that is similar in spirit to the ViT and the even-more-basic MLP-Mixer in that it operates directly on patches as input, separates the mixing of spatial and channel dimensions, and maintains equal size and resolution throughout the network. In contrast, however, the ConvMixer uses only standard convolutions to achieve the mixing steps. Despite its simplicity, we show that the ConvMixer outperforms the ViT, MLP-Mixer, and some of their variants for similar parameter counts and data set sizes, in addition to outperforming classical vision models such as the ResNet. Our code is available at https://github.com/locuslab/convmixer.

Modern sequence models (e.g., Transformers, linear RNNs, etc.) emerged as dominant backbones of recent deep learning frameworks, mainly due to their efficiency, representational power, and/or ability to capture long-range dependencies. Adopting these sequence models for graph-structured data has recently gained popularity as the alternative to Message Passing Neural Networks (MPNNs). There is, however, a lack of a common foundation about what constitutes a good graph sequence model, and a mathematical description of the benefits and deficiencies in adopting different sequence models for learning on graphs. To this end, we first present Graph Sequence Model (GSM), a unifying framework for adopting sequence models for graphs, consisting of three main steps: (1) Tokenization, which translates the graph into a set of sequences; (2) Local Encoding, which encodes local neighborhoods around each node; and (3) Global Encoding, which employs a scalable sequence model to capture long-range dependencies within the sequences. This framework allows us to understand, evaluate, and compare the power of different sequence model backbones in graph tasks. Our theoretical evaluations of the representation power of Transformers and modern recurrent models through the lens of global and local graph tasks show that there are both negative and positive sides for both types of models. Building on this observation, we present GSM++, a fast hybrid model that uses the Hierarchical Affinity Clustering (HAC) algorithm to tokenize the graph into hierarchical sequences, and then employs a hybrid architecture of Transformer to encode these sequences. Our theoretical and experimental results support the design of GSM++, showing that GSM++ outperforms baselines in most benchmark evaluations.

This paper presents the FlowTransformer framework, a novel approach for implementing transformer-based Network Intrusion Detection Systems (NIDSs). FlowTransformer leverages the strengths of transformer models in identifying the long-term behaviour and characteristics of networks, which are often overlooked by most existing NIDSs. By capturing these complex patterns in network traffic, FlowTransformer offers a flexible and efficient tool for researchers and practitioners in the cybersecurity community who are seeking to implement NIDSs using transformer-based models. FlowTransformer allows the direct substitution of various transformer components, including the input encoding, transformer, classification head, and the evaluation of these across any flow-based network dataset. To demonstrate the effectiveness and efficiency of the FlowTransformer framework, we utilise it to provide an extensive evaluation of various common transformer architectures, such as GPT 2.0 and BERT, on three commonly used public NIDS benchmark datasets. We provide results for accuracy, model size and speed. A key finding of our evaluation is that the choice of classification head has the most significant impact on the model performance. Surprisingly, Global Average Pooling, which is commonly used in text classification, performs very poorly in the context of NIDS. In addition, we show that model size can be reduced by over 50\%, and inference and training times improved, with no loss of accuracy, by making specific choices of input encoding and classification head instead of other commonly used alternatives.

Pruning assumes a subnetwork exists in the original deep neural network, which can achieve comparative model performance with less computation than the original. However, it is unclear how the model performance varies with the different subnetwork extractions. In this paper, we choose the representation dimension (or embedding dimension, model dimension, the dimension of the residual stream in the relevant literature) as the entry point to this issue. We investigate the linear transformations in the LLM transformer blocks and consider a specific structured pruning approach, SliceGPT, to extract the subnetworks of different representation dimensions. We mechanistically analyse the activation flow during the model forward passes, and find the representation dimension dominates the linear transformations, model predictions, and, finally, the model performance. Explicit analytical relations are given to calculate the pruned model performance (perplexity and accuracy) without actual evaluation, and are empirically validated with Llama-3-8B-Instruct and Phi-3-mini-4k-Instruct.

Sparsely-gated Mixture of Experts networks (MoEs) have demonstrated excellent scalability in Natural Language Processing. In Computer Vision, however, almost all performant networks are "dense", that is, every input is processed by every parameter. We present a Vision MoE (V-MoE), a sparse version of the Vision Transformer, that is scalable and competitive with the largest dense networks. When applied to image recognition, V-MoE matches the performance of state-of-the-art networks, while requiring as little as half of the compute at inference time. Further, we propose an extension to the routing algorithm that can prioritize subsets of each input across the entire batch, leading to adaptive per-image compute. This allows V-MoE to trade-off performance and compute smoothly at test-time. Finally, we demonstrate the potential of V-MoE to scale vision models, and train a 15B parameter model that attains 90.35% on ImageNet.

State of the art sequence-to-sequence models for large scale tasks perform a fixed number of computations for each input sequence regardless of whether it is easy or hard to process. In this paper, we train Transformer models which can make output predictions at different stages of the network and we investigate different ways to predict how much computation is required for a particular sequence. Unlike dynamic computation in Universal Transformers, which applies the same set of layers iteratively, we apply different layers at every step to adjust both the amount of computation as well as the model capacity. On IWSLT German-English translation our approach matches the accuracy of a well tuned baseline Transformer while using less than a quarter of the decoder layers.

State-of-the-art LLMs often rely on scale with high computational costs, which has sparked a research agenda to reduce parameter counts and costs without significantly impacting performance. Our study focuses on Transformer-based LLMs, specifically applying low-rank parametrization to the computationally intensive feedforward networks (FFNs), which are less studied than attention blocks. In contrast to previous works, (i) we explore low-rank parametrization at scale, up to 1.3B parameters; (ii) within Transformer language models rather than convolutional architectures; and (iii) starting from training from scratch. Experiments on the large RefinedWeb dataset show that low-rank parametrization is both efficient (e.g., 2.6times FFN speed-up with 32\% parameters) and effective during training. Interestingly, these structured FFNs exhibit steeper scaling curves than the original models. Motivated by this finding, we develop the wide and structured networks surpassing the current medium-sized and large-sized Transformer in perplexity and throughput performance. Our code is available at https://github.com/CLAIRE-Labo/StructuredFFN/tree/main.

Vision Transformer models trained on large-scale datasets, although effective, often exhibit artifacts in the patch token they extract. While such defects can be alleviated by re-training the entire model with additional classification tokens, the underlying reasons for the presence of these tokens remain unclear. In this paper, we conduct a thorough investigation of this phenomenon, combining theoretical analysis with empirical observations. Our findings reveal that these artifacts originate from the pre-trained network itself, specifically stemming from the leading left singular vector of the network's weights. Furthermore, to mitigate these defects, we propose a novel fine-tuning smooth regularization that rectifies structural deficiencies using only a small dataset, thereby avoiding the need for complete re-training. We validate our method on various downstream tasks, including unsupervised segmentation, classification, supervised segmentation, and depth estimation, demonstrating its effectiveness in improving model performance. Codes and checkpoints are available at https://github.com/haoqiwang/sinder.

Recurrent neural networks are effective models to process sequences. However, they are unable to learn long-term dependencies because of their inherent sequential nature. As a solution, Vaswani et al. introduced the Transformer, a model solely based on the attention mechanism that is able to relate any two positions of the input sequence, hence modelling arbitrary long dependencies. The Transformer has improved the state-of-the-art across numerous sequence modelling tasks. However, its effectiveness comes at the expense of a quadratic computational and memory complexity with respect to the sequence length, hindering its adoption. Fortunately, the deep learning community has always been interested in improving the models' efficiency, leading to a plethora of solutions such as parameter sharing, pruning, mixed-precision, and knowledge distillation. Recently, researchers have directly addressed the Transformer's limitation by designing lower-complexity alternatives such as the Longformer, Reformer, Linformer, and Performer. However, due to the wide range of solutions, it has become challenging for researchers and practitioners to determine which methods to apply in practice in order to meet the desired trade-off between capacity, computation, and memory. This survey addresses this issue by investigating popular approaches to make Transformers faster and lighter and by providing a comprehensive explanation of the methods' strengths, limitations, and underlying assumptions.

The recent boom of linear forecasting models questions the ongoing passion for architectural modifications of Transformer-based forecasters. These forecasters leverage Transformers to model the global dependencies over temporal tokens of time series, with each token formed by multiple variates of the same timestamp. However, Transformers are challenged in forecasting series with larger lookback windows due to performance degradation and computation explosion. Besides, the embedding for each temporal token fuses multiple variates that represent potential delayed events and distinct physical measurements, which may fail in learning variate-centric representations and result in meaningless attention maps. In this work, we reflect on the competent duties of Transformer components and repurpose the Transformer architecture without any modification to the basic components. We propose iTransformer that simply applies the attention and feed-forward network on the inverted dimensions. Specifically, the time points of individual series are embedded into variate tokens which are utilized by the attention mechanism to capture multivariate correlations; meanwhile, the feed-forward network is applied for each variate token to learn nonlinear representations. The iTransformer model achieves state-of-the-art on challenging real-world datasets, which further empowers the Transformer family with promoted performance, generalization ability across different variates, and better utilization of arbitrary lookback windows, making it a nice alternative as the fundamental backbone of time series forecasting. Code is available at this repository: https://github.com/thuml/iTransformer.

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent connection between attention and graph theory, we reformulate the Transformer's attention mechanism as a graph operation and propose Graph-Aware Isomorphic Attention. This method leverages advanced graph modeling strategies, including Graph Isomorphism Networks (GIN) and Principal Neighborhood Aggregation (PNA), to enrich the representation of relational structures. Our approach captures complex dependencies and generalizes across tasks, as evidenced by a reduced generalization gap and improved learning performance. Additionally, we expand the concept of graph-aware attention to introduce Sparse GIN-Attention, a fine-tuning approach that employs sparse GINs. By interpreting attention matrices as sparse adjacency graphs, this technique enhances the adaptability of pre-trained foundational models with minimal computational overhead, endowing them with graph-aware capabilities. Sparse GIN-Attention fine-tuning achieves improved training dynamics and better generalization compared to alternative methods like low-rank adaption (LoRA). We discuss latent graph-like structures within traditional attention mechanisms, offering a new lens through which Transformers can be understood. By evolving Transformers as hierarchical GIN models for relational reasoning. This perspective suggests profound implications for foundational model development, enabling the design of architectures that dynamically adapt to both local and global dependencies. Applications in bioinformatics, materials science, language modeling, and beyond could benefit from this synthesis of relational and sequential data modeling, setting the stage for interpretable and generalizable modeling strategies.

Traditional audio-visual methods rely on independent audio and visual backbones, which is costly and not scalable. In this work, we investigate using an audio-visual siamese network (AVSiam) for efficient and scalable audio-visual pretraining. Our framework uses a single shared vision transformer backbone to process audio and visual inputs, improving its parameter efficiency, reducing the GPU memory footprint, and allowing us to scale our method to larger datasets and model sizes. We pretrain our model using a contrastive audio-visual matching objective with a multi-ratio random masking scheme, which enables our model to process larger audio-visual instance batches, helpful for contrastive learning. Unlike prior audio-visual methods, our method can robustly handle audio, visual, and audio-visual inputs with a single shared ViT backbone. Furthermore, despite using the shared backbone for both modalities, AVSiam achieves competitive or even better results than prior methods on AudioSet and VGGSound for audio-visual classification and retrieval. Our code is available at https://github.com/GenjiB/AVSiam

Self-supervised pre-training of image encoders is omnipresent in the literature, particularly following the introduction of Masked autoencoders (MAE). Current efforts attempt to learn object-centric representations from motion in videos. In particular, SiamMAE recently introduced a Siamese network, training a shared-weight encoder from two frames of a video with a high asymmetric masking ratio (95%). In this work, we propose CropMAE, an alternative approach to the Siamese pre-training introduced by SiamMAE. Our method specifically differs by exclusively considering pairs of cropped images sourced from the same image but cropped differently, deviating from the conventional pairs of frames extracted from a video. CropMAE therefore alleviates the need for video datasets, while maintaining competitive performances and drastically reducing pre-training and learning time. Furthermore, we demonstrate that CropMAE learns similar object-centric representations without explicit motion, showing that current self-supervised learning methods do not learn such representations from explicit object motion, but rather thanks to the implicit image transformations that occur between the two views. Finally, CropMAE achieves the highest masking ratio to date (98.5%), enabling the reconstruction of images using only two visible patches. Our code is available at https://github.com/alexandre-eymael/CropMAE.

Mixture-of-Experts (MoE), a conditional computation architecture, achieved promising performance by scaling local module (i.e. feed-forward network) of transformer. However, scaling the cross-token module (i.e. self-attention) is challenging due to the unstable training. This work proposes Sparse-MLP, an all-MLP model which applies sparsely-activated MLPs to cross-token modeling. Specifically, in each Sparse block of our all-MLP model, we apply two stages of MoE layers: one with MLP experts mixing information within channels along image patch dimension, the other with MLP experts mixing information within patches along the channel dimension. In addition, by proposing importance-score routing strategy for MoE and redesigning the image representation shape, we further improve our model's computational efficiency. Experimentally, we are more computation-efficient than Vision Transformers with comparable accuracy. Also, our models can outperform MLP-Mixer by 2.5\% on ImageNet Top-1 accuracy with fewer parameters and computational cost. On downstream tasks, i.e. Cifar10 and Cifar100, our models can still achieve better performance than baselines.

In this work, we revisit Transformer optimization through the lens of second-order geometry and establish a direct connection between architectural design, activation scale, the Hessian matrix, and the maximum tolerable learning rate. We introduce a simple normalization strategy, termed SimpleNorm, which stabilizes intermediate activation scales by construction. Then, by analyzing the Hessian of the loss with respect to network activations, we theoretically show that SimpleNorm significantly reduces the spectral norm of the Hessian, thereby permitting larger stable learning rates. We validate our theoretical findings through extensive experiments on large GPT models at parameter scales 1B, 1.4B, 7B and 8B. Empirically, SimpleGPT, our SimpleNorm-based network, tolerates learning rates 3times-10times larger than standard convention, consistently demonstrates strong optimization stability, and achieves substantially better performance than well-established baselines. Specifically, when training 7B-scale models for 60K steps, SimpleGPT achieves a training loss that is 0.08 lower than that of LLaMA2 with QKNorm, reducing the loss from 2.290 to 2.208. Our source code will be released at https://github.com/Ocram7/SimpleGPT.

Transformer-based language models have recently been at the forefront of active research in text generation. However, these models' advances come at the price of prohibitive training costs, with parameter counts in the billions and compute requirements measured in petaflop/s-decades. In this paper, we investigate transformer-based architectures for improving model performance in a low-data regime by selectively replacing attention layers with feed-forward and quasi-recurrent neural network layers. We test these architectures on the standard Enwik8 and Wikitext-103 corpora. Our results show that our reduced architectures outperform existing models with a comparable number of parameters, and obtain comparable performance to larger models while significantly reducing the number of parameters.

Transformers have widely adopted attention networks for sequence mixing and MLPs for channel mixing, playing a pivotal role in achieving breakthroughs across domains. However, recent literature highlights issues with attention networks, including low inductive bias and quadratic complexity concerning input sequence length. State Space Models (SSMs) like S4 and others (Hippo, Global Convolutions, liquid S4, LRU, Mega, and Mamba), have emerged to address the above issues to help handle longer sequence lengths. Mamba, while being the state-of-the-art SSM, has a stability issue when scaled to large networks for computer vision datasets. We propose SiMBA, a new architecture that introduces Einstein FFT (EinFFT) for channel modeling by specific eigenvalue computations and uses the Mamba block for sequence modeling. Extensive performance studies across image and time-series benchmarks demonstrate that SiMBA outperforms existing SSMs, bridging the performance gap with state-of-the-art transformers. Notably, SiMBA establishes itself as the new state-of-the-art SSM on ImageNet and transfer learning benchmarks such as Stanford Car and Flower as well as task learning benchmarks as well as seven time series benchmark datasets. The project page is available on this website ~https://github.com/badripatro/Simba.

We introduce Performers, Transformer architectures which can estimate regular (softmax) full-rank-attention Transformers with provable accuracy, but using only linear (as opposed to quadratic) space and time complexity, without relying on any priors such as sparsity or low-rankness. To approximate softmax attention-kernels, Performers use a novel Fast Attention Via positive Orthogonal Random features approach (FAVOR+), which may be of independent interest for scalable kernel methods. FAVOR+ can be also used to efficiently model kernelizable attention mechanisms beyond softmax. This representational power is crucial to accurately compare softmax with other kernels for the first time on large-scale tasks, beyond the reach of regular Transformers, and investigate optimal attention-kernels. Performers are linear architectures fully compatible with regular Transformers and with strong theoretical guarantees: unbiased or nearly-unbiased estimation of the attention matrix, uniform convergence and low estimation variance. We tested Performers on a rich set of tasks stretching from pixel-prediction through text models to protein sequence modeling. We demonstrate competitive results with other examined efficient sparse and dense attention methods, showcasing effectiveness of the novel attention-learning paradigm leveraged by Performers.

Transformers have revolutionized machine learning with their simple yet effective architecture. Pre-training Transformers on massive text datasets from the Internet has led to unmatched generalization for natural language understanding (NLU) tasks. However, such language models remain fragile when tasked with algorithmic forms of reasoning, where computations must be precise and robust. To address this limitation, we propose a novel approach that combines the Transformer's language understanding with the robustness of graph neural network (GNN)-based neural algorithmic reasoners (NARs). Such NARs proved effective as generic solvers for algorithmic tasks, when specified in graph form. To make their embeddings accessible to a Transformer, we propose a hybrid architecture with a two-phase training procedure, allowing the tokens in the language model to cross-attend to the node embeddings from the NAR. We evaluate our resulting TransNAR model on CLRS-Text, the text-based version of the CLRS-30 benchmark, and demonstrate significant gains over Transformer-only models for algorithmic reasoning, both in and out of distribution.

The Vision Transformer architecture is a deep learning model inspired by the success of the Transformer model in Natural Language Processing. However, the self-attention mechanism, large number of parameters, and the requirement for a substantial amount of training data still make Vision Transformers computationally burdensome. In this research, we investigate the possibility of applying Sparse Regularization to Vision Transformers and the impact of Pruning, either after Sparse Regularization or without it, on the trade-off between performance and efficiency. To accomplish this, we apply Sparse Regularization and Pruning methods to the Vision Transformer architecture for image classification tasks on the CIFAR-10, CIFAR-100, and ImageNet-100 datasets. The training process for the Vision Transformer model consists of two parts: pre-training and fine-tuning. Pre-training utilizes ImageNet21K data, followed by fine-tuning for 20 epochs. The results show that when testing with CIFAR-100 and ImageNet-100 data, models with Sparse Regularization can increase accuracy by 0.12%. Furthermore, applying pruning to models with Sparse Regularization yields even better results. Specifically, it increases the average accuracy by 0.568% on CIFAR-10 data, 1.764% on CIFAR-100, and 0.256% on ImageNet-100 data compared to pruning models without Sparse Regularization. Code can be accesed here: https://github.com/yogiprsty/Sparse-ViT

This paper presents innovative enhancements to diffusion models by integrating a novel multi-resolution network and time-dependent layer normalization. Diffusion models have gained prominence for their effectiveness in high-fidelity image generation. While conventional approaches rely on convolutional U-Net architectures, recent Transformer-based designs have demonstrated superior performance and scalability. However, Transformer architectures, which tokenize input data (via "patchification"), face a trade-off between visual fidelity and computational complexity due to the quadratic nature of self-attention operations concerning token length. While larger patch sizes enable attention computation efficiency, they struggle to capture fine-grained visual details, leading to image distortions. To address this challenge, we propose augmenting the Diffusion model with the Multi-Resolution network (DiMR), a framework that refines features across multiple resolutions, progressively enhancing detail from low to high resolution. Additionally, we introduce Time-Dependent Layer Normalization (TD-LN), a parameter-efficient approach that incorporates time-dependent parameters into layer normalization to inject time information and achieve superior performance. Our method's efficacy is demonstrated on the class-conditional ImageNet generation benchmark, where DiMR-XL variants outperform prior diffusion models, setting new state-of-the-art FID scores of 1.70 on ImageNet 256 x 256 and 2.89 on ImageNet 512 x 512. Project page: https://qihao067.github.io/projects/DiMR

Generative transformer models have become increasingly complex, with large numbers of parameters and the ability to process multiple input modalities. Current methods for explaining their predictions are resource-intensive. Most crucially, they require prohibitively large amounts of extra memory, since they rely on backpropagation which allocates almost twice as much GPU memory as the forward pass. This makes it difficult, if not impossible, to use them in production. We present AtMan that provides explanations of generative transformer models at almost no extra cost. Specifically, AtMan is a modality-agnostic perturbation method that manipulates the attention mechanisms of transformers to produce relevance maps for the input with respect to the output prediction. Instead of using backpropagation, AtMan applies a parallelizable token-based search method based on cosine similarity neighborhood in the embedding space. Our exhaustive experiments on text and image-text benchmarks demonstrate that AtMan outperforms current state-of-the-art gradient-based methods on several metrics while being computationally efficient. As such, AtMan is suitable for use in large model inference deployments.

In an effort to reduce the computational load of Transformers, research on linear attention has gained significant momentum. However, the improvement strategies for attention mechanisms typically necessitate extensive retraining, which is impractical for large language models with a vast array of parameters. In this paper, we present DiJiang, a novel Frequency Domain Kernelization approach that enables the transformation of a pre-trained vanilla Transformer into a linear complexity model with little training costs. By employing a weighted Quasi-Monte Carlo method for sampling, the proposed approach theoretically offers superior approximation efficiency. To further reduce the training computational complexity, our kernelization is based on Discrete Cosine Transform (DCT) operations. Extensive experiments demonstrate that the proposed method achieves comparable performance to the original Transformer, but with significantly reduced training costs and much faster inference speeds. Our DiJiang-7B achieves comparable performance with LLaMA2-7B on various benchmark while requires only about 1/50 training cost. Code is available at https://github.com/YuchuanTian/DiJiang.

Transformers have become foundational architectures for both natural language and computer vision tasks. However, the high computational cost makes it quite challenging to deploy on resource-constraint devices. This paper investigates the computational bottleneck modules of efficient transformer, i.e., normalization layers and attention modules. LayerNorm is commonly used in transformer architectures but is not computational friendly due to statistic calculation during inference. However, replacing LayerNorm with more efficient BatchNorm in transformer often leads to inferior performance and collapse in training. To address this problem, we propose a novel method named PRepBN to progressively replace LayerNorm with re-parameterized BatchNorm in training. Moreover, we propose a simplified linear attention (SLA) module that is simple yet effective to achieve strong performance. Extensive experiments on image classification as well as object detection demonstrate the effectiveness of our proposed method. For example, our SLAB-Swin obtains 83.6% top-1 accuracy on ImageNet-1K with 16.2ms latency, which is 2.4ms less than that of Flatten-Swin with 0.1% higher accuracy. We also evaluated our method for language modeling task and obtain comparable performance and lower latency.Codes are publicly available at https://github.com/xinghaochen/SLAB and https://github.com/mindspore-lab/models/tree/master/research/huawei-noah/SLAB.

The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.

Transformers use the dense self-attention mechanism which gives a lot of flexibility for long-range connectivity. Over multiple layers of a deep transformer, the number of possible connectivity patterns increases exponentially. However, very few of these contribute to the performance of the network, and even fewer are essential. We hypothesize that there are sparsely connected sub-networks within a transformer, called information pathways which can be trained independently. However, the dynamic (i.e., input-dependent) nature of these pathways makes it difficult to prune dense self-attention during training. But the overall distribution of these pathways is often predictable. We take advantage of this fact to propose Stochastically Subsampled self-Attention (SSA) - a general-purpose training strategy for transformers that can reduce both the memory and computational cost of self-attention by 4 to 8 times during training while also serving as a regularization method - improving generalization over dense training. We show that an ensemble of sub-models can be formed from the subsampled pathways within a network, which can achieve better performance than its densely attended counterpart. We perform experiments on a variety of NLP, computer vision and graph learning tasks in both generative and discriminative settings to provide empirical evidence for our claims and show the effectiveness of the proposed method.

Transformers often fail to learn generalizable algorithms, instead relying on brittle heuristics. Using graph connectivity as a testbed, we explain this phenomenon both theoretically and empirically. We consider a simplified Transformer architecture, the disentangled Transformer, and prove that an L-layer model has capacity to solve for graphs with diameters up to exactly 3^L, implementing an algorithm equivalent to computing powers of the adjacency matrix. We analyze the training-dynamics, and show that the learned strategy hinges on whether most training instances are within this model capacity. Within-capacity graphs (diameter leq 3^L) drive the learning of a correct algorithmic solution while beyond-capacity graphs drive the learning of a simple heuristic based on node degrees. Finally, we empirically demonstrate that restricting training data within a model's capacity leads to both standard and disentangled transformers learning the exact algorithm rather than the degree-based heuristic.

Transformers were originally proposed as a sequence-to-sequence model for text but have become vital for a wide range of modalities, including images, audio, video, and undirected graphs. However, transformers for directed graphs are a surprisingly underexplored topic, despite their applicability to ubiquitous domains including source code and logic circuits. In this work, we propose two direction- and structure-aware positional encodings for directed graphs: (1) the eigenvectors of the Magnetic Laplacian - a direction-aware generalization of the combinatorial Laplacian; (2) directional random walk encodings. Empirically, we show that the extra directionality information is useful in various downstream tasks, including correctness testing of sorting networks and source code understanding. Together with a data-flow-centric graph construction, our model outperforms the prior state of the art on the Open Graph Benchmark Code2 relatively by 14.7%.

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.

Transformer models have revolutionized natural language processing with their unparalleled ability to grasp complex contextual relationships. However, the vast number of parameters in these models has raised concerns regarding computational efficiency, environmental impact, and deployability on resource-limited platforms. To address these challenges, this paper investigates the application of weight pruning-a strategic reduction of model parameters based on their significance-as an optimization strategy for Transformer architectures. Through extensive experimentation, we explore various pruning methodologies, highlighting their impact on model performance, size, and computational demands. Our findings suggest that with judicious selection of pruning hyperparameters, significant reductions in model size are attainable without considerable compromise on performance. Moreover, when coupled with post-pruning fine-tuning strategies, some pruned models even exhibit enhanced generalization capabilities. This work seeks to bridge the gap between model efficiency and performance, paving the way for more scalable and environmentally responsible deep learning applications.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

More transformer blocks with residual connections have recently achieved impressive results on various tasks. To achieve better performance with fewer trainable parameters, recent methods are proposed to go shallower by parameter sharing or model compressing along with the depth. However, weak modeling capacity limits their performance. Contrastively, going wider by inducing more trainable matrixes and parameters would produce a huge model requiring advanced parallelism to train and inference. In this paper, we propose a parameter-efficient framework, going wider instead of deeper. Specially, following existing works, we adapt parameter sharing to compress along depth. But, such deployment would limit the performance. To maximize modeling capacity, we scale along model width by replacing feed-forward network (FFN) with mixture-of-experts (MoE). Across transformer blocks, instead of sharing normalization layers, we propose to use individual layernorms to transform various semantic representations in a more parameter-efficient way. To evaluate our plug-and-run framework, we design WideNet and conduct comprehensive experiments on popular computer vision and natural language processing benchmarks. On ImageNet-1K, our best model outperforms Vision Transformer (ViT) by 1.5% with 0.72 times trainable parameters. Using 0.46 times and 0.13 times parameters, our WideNet can still surpass ViT and ViT-MoE by 0.8% and 2.1%, respectively. On four natural language processing datasets, WideNet outperforms ALBERT by 1.8% on average and surpass BERT using factorized embedding parameterization by 0.8% with fewer parameters.

Despite the great success of Transformer networks in various applications such as natural language processing and computer vision, their theoretical aspects are not well understood. In this paper, we study the approximation and estimation ability of Transformers as sequence-to-sequence functions with infinite dimensional inputs. Although inputs and outputs are both infinite dimensional, we show that when the target function has anisotropic smoothness, Transformers can avoid the curse of dimensionality due to their feature extraction ability and parameter sharing property. In addition, we show that even if the smoothness changes depending on each input, Transformers can estimate the importance of features for each input and extract important features dynamically. Then, we proved that Transformers achieve similar convergence rate as in the case of the fixed smoothness. Our theoretical results support the practical success of Transformers for high dimensional data.

We show that standard Transformers without graph-specific modifications can lead to promising results in graph learning both in theory and practice. Given a graph, we simply treat all nodes and edges as independent tokens, augment them with token embeddings, and feed them to a Transformer. With an appropriate choice of token embeddings, we prove that this approach is theoretically at least as expressive as an invariant graph network (2-IGN) composed of equivariant linear layers, which is already more expressive than all message-passing Graph Neural Networks (GNN). When trained on a large-scale graph dataset (PCQM4Mv2), our method coined Tokenized Graph Transformer (TokenGT) achieves significantly better results compared to GNN baselines and competitive results compared to Transformer variants with sophisticated graph-specific inductive bias. Our implementation is available at https://github.com/jw9730/tokengt.

Sparse Mixture of Experts (MoE) architectures have emerged as a promising approach for scaling Transformer models. While initial works primarily incorporated MoE into feed-forward network (FFN) layers, recent studies have explored extending the MoE paradigm to attention layers to enhance model performance. However, existing attention-based MoE layers require specialized implementations and demonstrate suboptimal performance compared to their FFN-based counterparts. In this paper, we aim to unify the MoE designs in attention and FFN layers by introducing a novel reformulation of the attention mechanism, revealing an underlying FFN-like structure within attention modules. Our proposed architecture, UMoE, achieves superior performance through attention-based MoE layers while enabling efficient parameter sharing between FFN and attention components.

The Transformer is an extremely powerful and prominent deep learning architecture. In this work, we challenge the commonly held belief in deep learning that going deeper is better, and show an alternative design approach that is building wider attention Transformers. We demonstrate that wide single layer Transformer models can compete with or outperform deeper ones in a variety of Natural Language Processing (NLP) tasks when both are trained from scratch. The impact of changing the model aspect ratio on Transformers is then studied systematically. This ratio balances the number of layers and the number of attention heads per layer while keeping the total number of attention heads and all other hyperparameters constant. On average, across 4 NLP tasks and 10 attention types, single layer wide models perform 0.3% better than their deep counterparts. We show an in-depth evaluation and demonstrate how wide models require a far smaller memory footprint and can run faster on commodity hardware, in addition, these wider models are also more interpretable. For example, a single layer Transformer on the IMDb byte level text classification has 3.1x faster inference latency on a CPU than its equally accurate deeper counterpart, and is half the size. We therefore put forward wider and shallower models as a viable and desirable alternative for small models on NLP tasks, and as an important area of research for domains beyond this.

The transformer architecture has driven breakthroughs in recent years on tasks which require modeling pairwise relationships between sequential elements, as is the case in natural language understanding. However, long seqeuences pose a problem due to the quadratic complexity of the attention operation. Previous research has aimed to lower the complexity by sparsifying or linearly approximating the attention matrix. Yet, these approaches cannot straightforwardly distill knowledge from a teacher's attention matrix and often require complete retraining from scratch. Furthermore, previous sparse and linear approaches lose interpretability if they cannot produce full attention matrices. To address these challenges, we propose SEA: Sparse linear attention with an Estimated Attention mask. SEA estimates the attention matrix with linear complexity via kernel-based linear attention, then subsequently creates a sparse attention matrix with a top-k selection to perform a sparse attention operation. For language modeling tasks (Wikitext2), previous linear and sparse attention methods show roughly two-fold worse perplexity scores over the quadratic OPT-1.3B baseline, while SEA achieves better perplexity than OPT-1.3B, using roughly half the memory of OPT-1.3B, providing interpretable attention matrix. We believe that our work will have a large practical impact, as it opens the possibility of running large transformers on resource-limited devices with less memory.

Vision Transformer (ViT) extends the application range of transformers from language processing to computer vision tasks as being an alternative architecture against the existing convolutional neural networks (CNN). Since the transformer-based architecture has been innovative for computer vision modeling, the design convention towards an effective architecture has been less studied yet. From the successful design principles of CNN, we investigate the role of spatial dimension conversion and its effectiveness on transformer-based architecture. We particularly attend to the dimension reduction principle of CNNs; as the depth increases, a conventional CNN increases channel dimension and decreases spatial dimensions. We empirically show that such a spatial dimension reduction is beneficial to a transformer architecture as well, and propose a novel Pooling-based Vision Transformer (PiT) upon the original ViT model. We show that PiT achieves the improved model capability and generalization performance against ViT. Throughout the extensive experiments, we further show PiT outperforms the baseline on several tasks such as image classification, object detection, and robustness evaluation. Source codes and ImageNet models are available at https://github.com/naver-ai/pit

Self-attention has recently been adopted for a wide range of sequence modeling problems. Despite its effectiveness, self-attention suffers from quadratic compute and memory requirements with respect to sequence length. Successful approaches to reduce this complexity focused on attending to local sliding windows or a small set of locations independent of content. Our work proposes to learn dynamic sparse attention patterns that avoid allocating computation and memory to attend to content unrelated to the query of interest. This work builds upon two lines of research: it combines the modeling flexibility of prior work on content-based sparse attention with the efficiency gains from approaches based on local, temporal sparse attention. Our model, the Routing Transformer, endows self-attention with a sparse routing module based on online k-means while reducing the overall complexity of attention to Oleft(n^{1.5}dright) from Oleft(n^2dright) for sequence length n and hidden dimension d. We show that our model outperforms comparable sparse attention models on language modeling on Wikitext-103 (15.8 vs 18.3 perplexity) as well as on image generation on ImageNet-64 (3.43 vs 3.44 bits/dim) while using fewer self-attention layers. Additionally, we set a new state-of-the-art on the newly released PG-19 data-set, obtaining a test perplexity of 33.2 with a 22 layer Routing Transformer model trained on sequences of length 8192.

Transformer is a transformative framework that models sequential data and has achieved remarkable performance on a wide range of tasks, but with high computational and energy cost. To improve its efficiency, a popular choice is to compress the models via binarization which constrains the floating-point values into binary ones to save resource consumption owing to cheap bitwise operations significantly. However, existing binarization methods only aim at minimizing the information loss for the input distribution statistically, while ignoring the pairwise similarity modeling at the core of the attention. To this end, we propose a new binarization paradigm customized to high-dimensional softmax attention via kernelized hashing, called EcoFormer, to map the original queries and keys into low-dimensional binary codes in Hamming space. The kernelized hash functions are learned to match the ground-truth similarity relations extracted from the attention map in a self-supervised way. Based on the equivalence between the inner product of binary codes and the Hamming distance as well as the associative property of matrix multiplication, we can approximate the attention in linear complexity by expressing it as a dot-product of binary codes. Moreover, the compact binary representations of queries and keys enable us to replace most of the expensive multiply-accumulate operations in attention with simple accumulations to save considerable on-chip energy footprint on edge devices. Extensive experiments on both vision and language tasks show that EcoFormer consistently achieves comparable performance with standard attentions while consuming much fewer resources. For example, based on PVTv2-B0 and ImageNet-1K, Ecoformer achieves a 73% on-chip energy footprint reduction with only a 0.33% performance drop compared to the standard attention. Code is available at https://github.com/ziplab/EcoFormer.

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current graph transformers suffer from the bottleneck of improving performance by increasing depth. Our further analysis reveals the reason is that deep graph transformers are limited by the vanishing capacity of global attention, restricting the graph transformer from focusing on the critical substructure and obtaining expressive features. To this end, we propose a novel graph transformer model named DeepGraph that explicitly employs substructure tokens in the encoded representation, and applies local attention on related nodes to obtain substructure based attention encoding. Our model enhances the ability of the global attention to focus on substructures and promotes the expressiveness of the representations, addressing the limitation of self-attention as the graph transformer deepens. Experiments show that our method unblocks the depth limitation of graph transformers and results in state-of-the-art performance across various graph benchmarks with deeper models.

Semantic segmentation of brain tumors is a fundamental medical image analysis task involving multiple MRI imaging modalities that can assist clinicians in diagnosing the patient and successively studying the progression of the malignant entity. In recent years, Fully Convolutional Neural Networks (FCNNs) approaches have become the de facto standard for 3D medical image segmentation. The popular "U-shaped" network architecture has achieved state-of-the-art performance benchmarks on different 2D and 3D semantic segmentation tasks and across various imaging modalities. However, due to the limited kernel size of convolution layers in FCNNs, their performance of modeling long-range information is sub-optimal, and this can lead to deficiencies in the segmentation of tumors with variable sizes. On the other hand, transformer models have demonstrated excellent capabilities in capturing such long-range information in multiple domains, including natural language processing and computer vision. Inspired by the success of vision transformers and their variants, we propose a novel segmentation model termed Swin UNEt TRansformers (Swin UNETR). Specifically, the task of 3D brain tumor semantic segmentation is reformulated as a sequence to sequence prediction problem wherein multi-modal input data is projected into a 1D sequence of embedding and used as an input to a hierarchical Swin transformer as the encoder. The swin transformer encoder extracts features at five different resolutions by utilizing shifted windows for computing self-attention and is connected to an FCNN-based decoder at each resolution via skip connections. We have participated in BraTS 2021 segmentation challenge, and our proposed model ranks among the top-performing approaches in the validation phase. Code: https://monai.io/research/swin-unetr

Recent research on time-series self-supervised models shows great promise in learning semantic representations. However, it has been limited to small-scale datasets, e.g., thousands of temporal sequences. In this work, we make key technical contributions that are tailored to the numerical properties of time-series data and allow the model to scale to large datasets, e.g., millions of temporal sequences. We adopt the Transformer architecture by first partitioning the input into non-overlapping windows. Each window is then characterized by its normalized shape and two scalar values denoting the mean and standard deviation within each window. To embed scalar values that may possess arbitrary numerical scales to high-dimensional vectors, we propose a numerically multi-scaled embedding module enumerating all possible scales for the scalar values. The model undergoes pretraining using the proposed numerically multi-scaled embedding with a simple contrastive objective on a large-scale dataset containing over a million sequences. We study its transfer performance on a number of univariate and multivariate classification benchmarks. Our method exhibits remarkable improvement against previous representation learning approaches and establishes the new state of the art, even compared with domain-specific non-learning-based methods.

Sparse mixture of expert architectures (MoEs) scale model capacity without large increases in training or inference costs. Despite their success, MoEs suffer from a number of issues: training instability, token dropping, inability to scale the number of experts, or ineffective finetuning. In this work, we proposeSoft MoE, a fully-differentiable sparse Transformer that addresses these challenges, while maintaining the benefits of MoEs. Soft MoE performs an implicit soft assignment by passing different weighted combinations of all input tokens to each expert. As in other MoE works, experts in Soft MoE only process a subset of the (combined) tokens, enabling larger model capacity at lower inference cost. In the context of visual recognition, Soft MoE greatly outperforms standard Transformers (ViTs) and popular MoE variants (Tokens Choice and Experts Choice). For example, Soft MoE-Base/16 requires 10.5x lower inference cost (5.7x lower wall-clock time) than ViT-Huge/14 while matching its performance after similar training. Soft MoE also scales well: Soft MoE Huge/14 with 128 experts in 16 MoE layers has over 40x more parameters than ViT Huge/14, while inference time cost grows by only 2%, and it performs substantially better.

Advancing the frontier of subquadratic architectures for Language Models (LMs) is crucial in the rapidly evolving field of natural language processing. Current innovations, including State Space Models, were initially celebrated for surpassing Transformer performance on language modeling tasks. However, these models have revealed deficiencies in essential In-Context Learning capabilities - a domain where the Transformer traditionally shines. The Based model emerged as a hybrid solution, blending a Linear Transformer with a kernel inspired by the Taylor expansion of exponential functions, augmented by convolutional networks. Mirroring the Transformer's in-context adeptness, it became a strong contender in the field. In our work, we present a singular, elegant alteration to the Based kernel that amplifies its In-Context Learning abilities evaluated with the Multi-Query Associative Recall task and overall language modeling process, as demonstrated on the Pile dataset.

Vision Transformers have achieved great success in computer visions, delivering exceptional performance across various tasks. However, their inherent reliance on sequential input enforces the manual partitioning of images into patch sequences, which disrupts the image's inherent structural and semantic continuity. To handle this, we propose a novel Pattern Transformer (Patternformer) to adaptively convert images to pattern sequences for Transformer input. Specifically, we employ the Convolutional Neural Network to extract various patterns from the input image, with each channel representing a unique pattern that is fed into the succeeding Transformer as a visual token. By enabling the network to optimize these patterns, each pattern concentrates on its local region of interest, thereby preserving its intrinsic structural and semantic information. Only employing the vanilla ResNet and Transformer, we have accomplished state-of-the-art performance on CIFAR-10 and CIFAR-100, and have achieved competitive results on ImageNet.

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with proper position embedding, GT can approximate MPNN arbitrarily well, implying that GT is at least as powerful as MPNN. In this paper, we study the inverse connection and show that MPNN with virtual node (VN), a commonly used heuristic with little theoretical understanding, is powerful enough to arbitrarily approximate the self-attention layer of GT. In particular, we first show that if we consider one type of linear transformer, the so-called Performer/Linear Transformer (Choromanski et al., 2020; Katharopoulos et al., 2020), then MPNN + VN with only O(1) depth and O(1) width can approximate a self-attention layer in Performer/Linear Transformer. Next, via a connection between MPNN + VN and DeepSets, we prove the MPNN + VN with O(n^d) width and O(1) depth can approximate the self-attention layer arbitrarily well, where d is the input feature dimension. Lastly, under some assumptions, we provide an explicit construction of MPNN + VN with O(1) width and O(n) depth approximating the self-attention layer in GT arbitrarily well. On the empirical side, we demonstrate that 1) MPNN + VN is a surprisingly strong baseline, outperforming GT on the recently proposed Long Range Graph Benchmark (LRGB) dataset, 2) our MPNN + VN improves over early implementation on a wide range of OGB datasets and 3) MPNN + VN outperforms Linear Transformer and MPNN on the climate modeling task.

We introduce the Yi model family, a series of language and multimodal models that demonstrate strong multi-dimensional capabilities. The Yi model family is based on 6B and 34B pretrained language models, then we extend them to chat models, 200K long context models, depth-upscaled models, and vision-language models. Our base models achieve strong performance on a wide range of benchmarks like MMLU, and our finetuned chat models deliver strong human preference rate on major evaluation platforms like AlpacaEval and Chatbot Arena. Building upon our scalable super-computing infrastructure and the classical transformer architecture, we attribute the performance of Yi models primarily to its data quality resulting from our data-engineering efforts. For pretraining, we construct 3.1 trillion tokens of English and Chinese corpora using a cascaded data deduplication and quality filtering pipeline. For finetuning, we polish a small scale (less than 10K) instruction dataset over multiple iterations such that every single instance has been verified directly by our machine learning engineers. For vision-language, we combine the chat language model with a vision transformer encoder and train the model to align visual representations to the semantic space of the language model. We further extend the context length to 200K through lightweight continual pretraining and demonstrate strong needle-in-a-haystack retrieval performance. We show that extending the depth of the pretrained checkpoint through continual pretraining further improves performance. We believe that given our current results, continuing to scale up model parameters using thoroughly optimized data will lead to even stronger frontier models.

The vision community is witnessing a modeling shift from CNNs to Transformers, where pure Transformer architectures have attained top accuracy on the major video recognition benchmarks. These video models are all built on Transformer layers that globally connect patches across the spatial and temporal dimensions. In this paper, we instead advocate an inductive bias of locality in video Transformers, which leads to a better speed-accuracy trade-off compared to previous approaches which compute self-attention globally even with spatial-temporal factorization. The locality of the proposed video architecture is realized by adapting the Swin Transformer designed for the image domain, while continuing to leverage the power of pre-trained image models. Our approach achieves state-of-the-art accuracy on a broad range of video recognition benchmarks, including on action recognition (84.9 top-1 accuracy on Kinetics-400 and 86.1 top-1 accuracy on Kinetics-600 with ~20x less pre-training data and ~3x smaller model size) and temporal modeling (69.6 top-1 accuracy on Something-Something v2). The code and models will be made publicly available at https://github.com/SwinTransformer/Video-Swin-Transformer.

Sequence modeling plays a vital role across various domains, with recurrent neural networks being historically the predominant method of performing these tasks. However, the emergence of transformers has altered this paradigm due to their superior performance. Built upon these advances, transformers have conjoined CNNs as two leading foundational models for learning visual representations. However, transformers are hindered by the O(N^2) complexity of their attention mechanisms, while CNNs lack global receptive fields and dynamic weight allocation. State Space Models (SSMs), specifically the \textbf{Mamba} model with selection mechanisms and hardware-aware architecture, have garnered immense interest lately in sequential modeling and visual representation learning, challenging the dominance of transformers by providing infinite context lengths and offering substantial efficiency maintaining linear complexity in the input sequence. Capitalizing on the advances in computer vision, medical imaging has heralded a new epoch with Mamba models. Intending to help researchers navigate the surge, this survey seeks to offer an encyclopedic review of Mamba models in medical imaging. Specifically, we start with a comprehensive theoretical review forming the basis of SSMs, including Mamba architecture and its alternatives for sequence modeling paradigms in this context. Next, we offer a structured classification of Mamba models in the medical field and introduce a diverse categorization scheme based on their application, imaging modalities, and targeted organs. Finally, we summarize key challenges, discuss different future research directions of the SSMs in the medical domain, and propose several directions to fulfill the demands of this field. In addition, we have compiled the studies discussed in this paper along with their open-source implementations on our GitHub repository.

Multiplications are responsible for most of the computational cost involved in neural network training and inference. Recent research has thus looked for ways to reduce the cost associated with them. Inspired by Mogami (2020), we replace multiplication with a cheap piecewise affine approximation that is achieved by adding the bit representation of the floating point numbers together as integers. We show that transformers can be trained with the resulting modified matrix multiplications on both vision and language tasks with little to no performance impact, and without changes to the training hyperparameters. We further replace all non-linearities in the networks making them fully and jointly piecewise affine in both inputs and weights. Finally, we show that we can eliminate all multiplications in the entire training process, including operations in the forward pass, backward pass and optimizer update, demonstrating the first successful training of modern neural network architectures in a fully multiplication-free fashion.

In Transformer language models, activation vectors transform from current token embeddings to next token predictions as they pass through the model. To isolate a minimal form of this transformation, we identify language model subnetworks that make bigram predictions, naive next token predictions based only on the current token. We find that bigram subnetworks can be found in fully trained language models up to 1B parameters, and these subnetworks are critical for model performance even when they consist of less than 0.2% of model parameters. Bigram subnetworks are concentrated in the first Transformer MLP layer, and they overlap significantly with subnetworks trained to optimally prune a given model. Mechanistically, the bigram subnetworks often recreate a pattern from the full models where the first layer induces a sharp change that aligns activations with next token predictions rather than current token representations. Our results demonstrate that bigram subnetworks comprise a minimal subset of parameters that are both necessary and sufficient for basic next token predictions in language models, and they help drive the transformation from current to next token activations in the residual stream. These subnetworks can lay a foundation for studying language model circuits by building up from a minimal circuit rather than the traditional approach of ablating circuits from a full model.

Large pretrained plain vision Transformers (ViTs) have been the workhorse for many downstream tasks. However, existing works utilizing off-the-shelf ViTs are inefficient in terms of training and deployment, because adopting ViTs with individual sizes requires separate trainings and is restricted by fixed performance-efficiency trade-offs. In this paper, we are inspired by stitchable neural networks (SN-Net), which is a new framework that cheaply produces a single model that covers rich subnetworks by stitching pretrained model families, supporting diverse performance-efficiency trade-offs at runtime. Building upon this foundation, we introduce SN-Netv2, a systematically improved model stitching framework to facilitate downstream task adaptation. Specifically, we first propose a two-way stitching scheme to enlarge the stitching space. We then design a resource-constrained sampling strategy that takes into account the underlying FLOPs distributions in the space for better sampling. Finally, we observe that learning stitching layers as a low-rank update plays an essential role on downstream tasks to stabilize training and ensure a good Pareto frontier. With extensive experiments on ImageNet-1K, ADE20K, COCO-Stuff-10K and NYUv2, SN-Netv2 demonstrates superior performance over SN-Netv1 on downstream dense predictions and shows strong ability as a flexible vision backbone, achieving great advantages in both training efficiency and deployment flexibility. Code is available at https://github.com/ziplab/SN-Netv2.

This paper introduces a theoretical framework for a Transformer-augmented, sectional Mixture-of-Experts (MoE) architecture that aims to enhance computational efficiency while preserving model scalability. Unlike conventional MoE models, which route entire token embeddings to selected experts, our approach portions the embedding dimension itself -- assigning segments of each token's representation to dedicated experts. To combat losses in token representation, we utilize a pre-expert transformer layer to recompute attention across tokens and reduce the sequence length dimensionality. We extend our theory by deriving optimal scaling laws that a non-linear relationship between the number of experts and factors such as model dimensionality, sequence length, and system overhead. These formulations yield closed-form and numerically-solvable expressions for identifying the optimal expert count under given architectural and hardware constraints. As a result, our framework not only provides theoretical bounds for computing efficiency with varying frameworks but also guides practical design choices for scaling large models effectively. While empirical validation is pending, we present a comprehensive experimental road map to evaluate the framework's efficiency, scalability, and practicality in future work.

Transformer models have demonstrated high accuracy in numerous applications but have high complexity and lack sequential processing capability making them ill-suited for many streaming applications at the edge where devices are heavily resource-constrained. Thus motivated, many researchers have proposed reformulating the transformer models as RNN modules which modify the self-attention computation with explicit states. However, these approaches often incur significant performance degradation. The ultimate goal is to develop a model that has the following properties: parallel training, streaming and low-cost inference, and SOTA performance. In this paper, we propose a new direction to achieve this goal. We show how architectural modifications to a recurrent model can help push its performance toward Transformer models while retaining its sequential processing capability. Specifically, inspired by the recent success of Legendre Memory Units (LMU) in sequence learning tasks, we propose LMUFormer, which augments the LMU with convolutional patch embedding and convolutional channel mixer. Moreover, we present a spiking version of this architecture, which introduces the benefit of states within the patch embedding and channel mixer modules while simultaneously reducing the computing complexity. We evaluated our architectures on multiple sequence datasets. In comparison to SOTA transformer-based models within the ANN domain on the SCv2 dataset, our LMUFormer demonstrates comparable performance while necessitating a remarkable 53 times reduction in parameters and a substantial 65 times decrement in FLOPs. Additionally, owing to our model's proficiency in real-time data processing, we can achieve a 32.03% reduction in sequence length, all while incurring an inconsequential decline in performance. Our code is publicly available at https://github.com/zeyuliu1037/LMUFormer.git.

Transformers, which are popular for language modeling, have been explored for solving vision tasks recently, e.g., the Vision Transformer (ViT) for image classification. The ViT model splits each image into a sequence of tokens with fixed length and then applies multiple Transformer layers to model their global relation for classification. However, ViT achieves inferior performance to CNNs when trained from scratch on a midsize dataset like ImageNet. We find it is because: 1) the simple tokenization of input images fails to model the important local structure such as edges and lines among neighboring pixels, leading to low training sample efficiency; 2) the redundant attention backbone design of ViT leads to limited feature richness for fixed computation budgets and limited training samples. To overcome such limitations, we propose a new Tokens-To-Token Vision Transformer (T2T-ViT), which incorporates 1) a layer-wise Tokens-to-Token (T2T) transformation to progressively structurize the image to tokens by recursively aggregating neighboring Tokens into one Token (Tokens-to-Token), such that local structure represented by surrounding tokens can be modeled and tokens length can be reduced; 2) an efficient backbone with a deep-narrow structure for vision transformer motivated by CNN architecture design after empirical study. Notably, T2T-ViT reduces the parameter count and MACs of vanilla ViT by half, while achieving more than 3.0\% improvement when trained from scratch on ImageNet. It also outperforms ResNets and achieves comparable performance with MobileNets by directly training on ImageNet. For example, T2T-ViT with comparable size to ResNet50 (21.5M parameters) can achieve 83.3\% top1 accuracy in image resolution 384times384 on ImageNet. (Code: https://github.com/yitu-opensource/T2T-ViT)

Transformer, composed of self-attention and Feed-Forward Network, has revolutionized the landscape of network design across various vision tasks. FFN is a versatile operator seamlessly integrated into nearly all AI models to effectively harness rich representations. Recent works also show that FFN functions like key-value memories. Thus, akin to the query-key-value mechanism within self-attention, FFN can be viewed as a memory network, where the input serves as query and the two projection weights operate as keys and values, respectively. We hypothesize that the importance lies in query-key-value framework itself rather than in self-attention. To verify this, we propose converting self-attention into a more FFN-like efficient token mixer with only convolutions while retaining query-key-value framework, namely FFNification. Specifically, FFNification replaces query-key and attention coefficient-value interactions with large kernel convolutions and adopts GELU activation function instead of softmax. The derived token mixer, FFNified attention, serves as key-value memories for detecting locally distributed spatial patterns, and operates in the opposite dimension to the ConvNeXt block within each corresponding sub-operation of the query-key-value framework. Building upon the above two modules, we present a family of Fast-Forward Networks. Our FFNet achieves remarkable performance improvements over previous state-of-the-art methods across a wide range of tasks. The strong and general performance of our proposed method validates our hypothesis and leads us to introduce MetaMixer, a general mixer architecture that does not specify sub-operations within the query-key-value framework. We show that using only simple operations like convolution and GELU in the MetaMixer can achieve superior performance.

Transformer training is notoriously difficult, requiring a careful design of optimizers and use of various heuristics. We make progress towards understanding the subtleties of training Transformers by carefully studying a simple yet canonical linearized shallow Transformer model. Specifically, we train linear Transformers to solve regression tasks, inspired by J.~von Oswald et al.~(ICML 2023), and K.~Ahn et al.~(NeurIPS 2023). Most importantly, we observe that our proposed linearized models can reproduce several prominent aspects of Transformer training dynamics. Consequently, the results obtained in this paper suggest that a simple linearized Transformer model could actually be a valuable, realistic abstraction for understanding Transformer optimization.

Large transformer models have shown extraordinary success in achieving state-of-the-art results in many natural language processing applications. However, training and deploying these models can be prohibitively costly for long sequences, as the standard self-attention mechanism of the Transformer uses O(n^2) time and space with respect to sequence length. In this paper, we demonstrate that the self-attention mechanism can be approximated by a low-rank matrix. We further exploit this finding to propose a new self-attention mechanism, which reduces the overall self-attention complexity from O(n^2) to O(n) in both time and space. The resulting linear transformer, the Linformer, performs on par with standard Transformer models, while being much more memory- and time-efficient.

We show that Transformer encoder architectures can be sped up, with limited accuracy costs, by replacing the self-attention sublayers with simple linear transformations that "mix" input tokens. These linear mixers, along with standard nonlinearities in feed-forward layers, prove competent at modeling semantic relationships in several text classification tasks. Most surprisingly, we find that replacing the self-attention sublayer in a Transformer encoder with a standard, unparameterized Fourier Transform achieves 92-97% of the accuracy of BERT counterparts on the GLUE benchmark, but trains 80% faster on GPUs and 70% faster on TPUs at standard 512 input lengths. At longer input lengths, our FNet model is significantly faster: when compared to the "efficient" Transformers on the Long Range Arena benchmark, FNet matches the accuracy of the most accurate models, while outpacing the fastest models across all sequence lengths on GPUs (and across relatively shorter lengths on TPUs). Finally, FNet has a light memory footprint and is particularly efficient at smaller model sizes; for a fixed speed and accuracy budget, small FNet models outperform Transformer counterparts.