Daily Papers

Blind face restoration is a highly ill-posed problem that often requires auxiliary guidance to 1) improve the mapping from degraded inputs to desired outputs, or 2) complement high-quality details lost in the inputs. In this paper, we demonstrate that a learned discrete codebook prior in a small proxy space largely reduces the uncertainty and ambiguity of restoration mapping by casting blind face restoration as a code prediction task, while providing rich visual atoms for generating high-quality faces. Under this paradigm, we propose a Transformer-based prediction network, named CodeFormer, to model the global composition and context of the low-quality faces for code prediction, enabling the discovery of natural faces that closely approximate the target faces even when the inputs are severely degraded. To enhance the adaptiveness for different degradation, we also propose a controllable feature transformation module that allows a flexible trade-off between fidelity and quality. Thanks to the expressive codebook prior and global modeling, CodeFormer outperforms the state of the arts in both quality and fidelity, showing superior robustness to degradation. Extensive experimental results on synthetic and real-world datasets verify the effectiveness of our method.

Video prediction is a complex time-series forecasting task with great potential in many use cases. However, conventional methods overemphasize accuracy while ignoring the slow prediction speed caused by complicated model structures that learn too much redundant information with excessive GPU memory consumption. Furthermore, conventional methods mostly predict frames sequentially (frame-by-frame) and thus are hard to accelerate. Consequently, valuable use cases such as real-time danger prediction and warning cannot achieve fast enough inference speed to be applicable in reality. Therefore, we propose a transformer-based keypoint prediction neural network (TKN), an unsupervised learning method that boost the prediction process via constrained information extraction and parallel prediction scheme. TKN is the first real-time video prediction solution to our best knowledge, while significantly reducing computation costs and maintaining other performance. Extensive experiments on KTH and Human3.6 datasets demonstrate that TKN predicts 11 times faster than existing methods while reducing memory consumption by 17.4% and achieving state-of-the-art prediction performance on average.

In the field of autonomous driving, there have been many excellent perception models for object detection, semantic segmentation, and other tasks, but how can we effectively use the perception models for vehicle planning? Traditional autonomous vehicle trajectory prediction methods not only need to obey traffic rules to avoid collisions, but also need to follow the prescribed route to reach the destination. In this paper, we propose a Transformer-based trajectory prediction network for end-to-end autonomous driving without rules called Target-point Attention Transformer network (TAT). We use the attention mechanism to realize the interaction between the predicted trajectory and the perception features as well as target-points. We demonstrate that our proposed method outperforms existing conditional imitation learning and GRU-based methods, significantly reducing the occurrence of accidents and improving route completion. We evaluate our approach in complex closed loop driving scenarios in cities using the CARLA simulator and achieve state-of-the-art performance.

Detecting abnormal activities in real-world surveillance videos is an important yet challenging task as the prior knowledge about video anomalies is usually limited or unavailable. Despite that many approaches have been developed to resolve this problem, few of them can capture the normal spatio-temporal patterns effectively and efficiently. Moreover, existing works seldom explicitly consider the local consistency at frame level and global coherence of temporal dynamics in video sequences. To this end, we propose Convolutional Transformer based Dual Discriminator Generative Adversarial Networks (CT-D2GAN) to perform unsupervised video anomaly detection. Specifically, we first present a convolutional transformer to perform future frame prediction. It contains three key components, i.e., a convolutional encoder to capture the spatial information of the input video clips, a temporal self-attention module to encode the temporal dynamics, and a convolutional decoder to integrate spatio-temporal features and predict the future frame. Next, a dual discriminator based adversarial training procedure, which jointly considers an image discriminator that can maintain the local consistency at frame-level and a video discriminator that can enforce the global coherence of temporal dynamics, is employed to enhance the future frame prediction. Finally, the prediction error is used to identify abnormal video frames. Thoroughly empirical studies on three public video anomaly detection datasets, i.e., UCSD Ped2, CUHK Avenue, and Shanghai Tech Campus, demonstrate the effectiveness of the proposed adversarial spatio-temporal modeling framework.

Hyperspectral target detection (HTD) aims to identify specific materials based on spectral information in hyperspectral imagery and can detect extremely small objects, some of which occupy a smaller than one-pixel area. However, existing HTD methods are developed based on per-pixel binary classification, which limits the feature representation capability for instance-level objects. In this paper, we rethink the hyperspectral target detection from the point object detection perspective, and propose the first specialized network for hyperspectral multi-class point object detection, SpecDETR. Without the visual foundation model of the current object detection framework, SpecDETR treats each pixel in input images as a token and uses a multi-layer Transformer encoder with self-excited subpixel-scale attention modules to directly extract joint spatial-spectral features from images. During feature extraction, we introduce a self-excited mechanism to enhance object features through self-excited amplification, thereby accelerating network convergence. Additionally, SpecDETR regards point object detection as a one-to-many set prediction problem, thereby achieving a concise and efficient DETR decoder that surpasses the state-of-the-art (SOTA) DETR decoder. We develop a simulated hyperSpectral Point Object Detection benchmark termed SPOD, and for the first time, evaluate and compare the performance of current object detection networks and HTD methods on hyperspectral point object detection. Extensive experiments demonstrate that our proposed SpecDETR outperforms SOTA object detection networks and HTD methods. Our code and dataset are available at https://github.com/ZhaoxuLi123/SpecDETR.

Predicting the motion of multiple traffic participants has always been one of the most challenging tasks in autonomous driving. The recently proposed occupancy flow field prediction method has shown to be a more effective and scalable representation compared to general trajectory prediction methods. However, in complex multi-agent traffic scenarios, it remains difficult to model the interactions among various factors and the dependencies among prediction outputs at different time steps. In view of this, we propose a transformer-based hierarchical feature guided network (HGNET), which can efficiently extract features of agents and map information from visual and vectorized inputs, modeling multimodal interaction relationships. Second, we design the Feature-Guided Attention (FGAT) module to leverage the potential guiding effects between different prediction targets, thereby improving prediction accuracy. Additionally, to enhance the temporal consistency and causal relationships of the predictions, we propose a Time Series Memory framework to learn the conditional distribution models of the prediction outputs at future time steps from multivariate time series. The results demonstrate that our model exhibits competitive performance, which ranks 3rd in the 2024 Waymo Occupancy and Flow Prediction Challenge.

Graph-structured scene descriptions can be efficiently used in generative models to control the composition of the generated image. Previous approaches are based on the combination of graph convolutional networks and adversarial methods for layout prediction and image generation, respectively. In this work, we show how employing multi-head attention to encode the graph information, as well as using a transformer-based model in the latent space for image generation can improve the quality of the sampled data, without the need to employ adversarial models with the subsequent advantage in terms of training stability. The proposed approach, specifically, is entirely based on transformer architectures both for encoding scene graphs into intermediate object layouts and for decoding these layouts into images, passing through a lower dimensional space learned by a vector-quantized variational autoencoder. Our approach shows an improved image quality with respect to state-of-the-art methods as well as a higher degree of diversity among multiple generations from the same scene graph. We evaluate our approach on three public datasets: Visual Genome, COCO, and CLEVR. We achieve an Inception Score of 13.7 and 12.8, and an FID of 52.3 and 60.3, on COCO and Visual Genome, respectively. We perform ablation studies on our contributions to assess the impact of each component. Code is available at https://github.com/perceivelab/trf-sg2im

Neural painting refers to the procedure of producing a series of strokes for a given image and non-photo-realistically recreating it using neural networks. While reinforcement learning (RL) based agents can generate a stroke sequence step by step for this task, it is not easy to train a stable RL agent. On the other hand, stroke optimization methods search for a set of stroke parameters iteratively in a large search space; such low efficiency significantly limits their prevalence and practicality. Different from previous methods, in this paper, we formulate the task as a set prediction problem and propose a novel Transformer-based framework, dubbed Paint Transformer, to predict the parameters of a stroke set with a feed forward network. This way, our model can generate a set of strokes in parallel and obtain the final painting of size 512 * 512 in near real time. More importantly, since there is no dataset available for training the Paint Transformer, we devise a self-training pipeline such that it can be trained without any off-the-shelf dataset while still achieving excellent generalization capability. Experiments demonstrate that our method achieves better painting performance than previous ones with cheaper training and inference costs. Codes and models are available.

Stock markets play an important role in the global economy, where accurate stock price predictions can lead to significant financial returns. While existing transformer-based models have outperformed long short-term memory networks and convolutional neural networks in financial time series prediction, their high computational complexity and memory requirements limit their practicality for real-time trading and long-sequence data processing. To address these challenges, we propose SAMBA, an innovative framework for stock return prediction that builds on the Mamba architecture and integrates graph neural networks. SAMBA achieves near-linear computational complexity by utilizing a bidirectional Mamba block to capture long-term dependencies in historical price data and employing adaptive graph convolution to model dependencies between daily stock features. Our experimental results demonstrate that SAMBA significantly outperforms state-of-the-art baseline models in prediction accuracy, maintaining low computational complexity. The code and datasets are available at github.com/Ali-Meh619/SAMBA.

Training deep learning models for semantic occupancy prediction is challenging due to factors such as a large number of occupancy cells, severe occlusion, limited visual cues, complicated driving scenarios, etc. Recent methods often adopt transformer-based architectures given their strong capability in learning input-conditioned weights and long-range relationships. However, transformer-based networks are notorious for their quadratic computation complexity, seriously undermining their efficacy and deployment in semantic occupancy prediction. Inspired by the global modeling and linear computation complexity of the Mamba architecture, we present the first Mamba-based network for semantic occupancy prediction, termed OccMamba. Specifically, we first design the hierarchical Mamba module and local context processor to better aggregate global and local contextual information, respectively. Besides, to relieve the inherent domain gap between the linguistic and 3D domains, we present a simple yet effective 3D-to-1D reordering scheme, i.e., height-prioritized 2D Hilbert expansion. It can maximally retain the spatial structure of 3D voxels as well as facilitate the processing of Mamba blocks. Endowed with the aforementioned designs, our OccMamba is capable of directly and efficiently processing large volumes of dense scene grids, achieving state-of-the-art performance across three prevalent occupancy prediction benchmarks, including OpenOccupancy, SemanticKITTI, and SemanticPOSS. Notably, on OpenOccupancy, our OccMamba outperforms the previous state-of-the-art Co-Occ by 5.1% IoU and 4.3% mIoU, respectively. Our implementation is open-sourced and available at: https://github.com/USTCLH/OccMamba.

Transformers have recently been popular for learning and inference in the spatial-temporal domain. However, their performance relies on storing and applying attention to the feature tensor of each frame in video. Hence, their space and time complexity increase linearly as the length of video grows, which could be very costly for long videos. We propose a novel visual memory network architecture for the learning and inference problem in the spatial-temporal domain. We maintain a fixed set of memory slots in our memory network and propose an algorithm based on Gumbel-Softmax to learn an adaptive strategy to update this memory. Finally, this architecture is benchmarked on the video object segmentation (VOS) and video prediction problems. We demonstrate that our memory architecture achieves state-of-the-art results, outperforming transformer-based methods on VOS and other recent methods on video prediction while maintaining constant memory capacity independent of the sequence length.

Spatio-temporal modeling is foundational for smart city applications, yet it is often hindered by data scarcity in many cities and regions. To bridge this gap, we propose a novel generative pre-training framework, GPD, for spatio-temporal few-shot learning with urban knowledge transfer. Unlike conventional approaches that heavily rely on common feature extraction or intricate few-shot learning designs, our solution takes a novel approach by performing generative pre-training on a collection of neural network parameters optimized with data from source cities. We recast spatio-temporal few-shot learning as pre-training a generative diffusion model, which generates tailored neural networks guided by prompts, allowing for adaptability to diverse data distributions and city-specific characteristics. GPD employs a Transformer-based denoising diffusion model, which is model-agnostic to integrate with powerful spatio-temporal neural networks. By addressing challenges arising from data gaps and the complexity of generalizing knowledge across cities, our framework consistently outperforms state-of-the-art baselines on multiple real-world datasets for tasks such as traffic speed prediction and crowd flow prediction. The implementation of our approach is available: https://github.com/tsinghua-fib-lab/GPD.

Non-Fungible Tokens (NFTs) represent deeds of ownership, based on blockchain technologies and smart contracts, of unique crypto assets on digital art forms (e.g., artworks or collectibles). In the spotlight after skyrocketing in 2021, NFTs have attracted the attention of crypto enthusiasts and investors intent on placing promising investments in this profitable market. However, the NFT financial performance prediction has not been widely explored to date. In this work, we address the above problem based on the hypothesis that NFT images and their textual descriptions are essential proxies to predict the NFT selling prices. To this purpose, we propose MERLIN, a novel multimodal deep learning framework designed to train Transformer-based language and visual models, along with graph neural network models, on collections of NFTs' images and texts. A key aspect in MERLIN is its independence on financial features, as it exploits only the primary data a user interested in NFT trading would like to deal with, i.e., NFT images and textual descriptions. By learning dense representations of such data, a price-category classification task is performed by MERLIN models, which can also be tuned according to user preferences in the inference phase to mimic different risk-return investment profiles. Experimental evaluation on a publicly available dataset has shown that MERLIN models achieve significant performances according to several financial assessment criteria, fostering profitable investments, and also beating baseline machine-learning classifiers based on financial features.

Transformer-based deep neural networks have revolutionized the field of molecular-related prediction tasks by treating molecules as symbolic sequences. These models have been successfully applied in various organic chemical applications by pretraining them with extensive compound libraries and subsequently fine-tuning them with smaller in-house datasets for specific tasks. However, many conventional methods primarily focus on single molecules, with limited exploration of pretraining for reactions involving multiple molecules. In this paper, we propose ReactionT5, a novel model that leverages pretraining on the Open Reaction Database (ORD), a publicly available large-scale resource. We further fine-tune this model for yield prediction and product prediction tasks, demonstrating its impressive performance even with limited fine-tuning data compared to traditional models. The pre-trained ReactionT5 model is publicly accessible on the Hugging Face platform.

In this study, we tackle the challenging fine-grained edge detection task, which refers to predicting specific edges caused by reflectance, illumination, normal, and depth changes, respectively. Prior methods exploit multi-scale convolutional networks, which are limited in three aspects: (1) Convolutions are local operators while identifying the cause of edge formation requires looking at far away pixels. (2) Priors specific to edge cause are fixed in prediction heads. (3) Using separate networks for generic and fine-grained edge detection, and the constraint between them may be violated. To address these three issues, we propose a two-stage transformer-based network sequentially predicting generic edges and fine-grained edges, which has a global receptive field thanks to the attention mechanism. The prior knowledge of edge causes is formulated as four learnable cause tokens in a cause-aware decoder design. Furthermore, to encourage the consistency between generic edges and fine-grained edges, an edge aggregation and alignment loss is exploited. We evaluate our method on the public benchmark BSDS-RIND and several newly derived benchmarks, and achieve new state-of-the-art results. Our code, data, and models are publicly available at https://github.com/Daniellli/ECT.git.

The vision-based perception for autonomous driving has undergone a transformation from the bird-eye-view (BEV) representations to the 3D semantic occupancy. Compared with the BEV planes, the 3D semantic occupancy further provides structural information along the vertical direction. This paper presents OccFormer, a dual-path transformer network to effectively process the 3D volume for semantic occupancy prediction. OccFormer achieves a long-range, dynamic, and efficient encoding of the camera-generated 3D voxel features. It is obtained by decomposing the heavy 3D processing into the local and global transformer pathways along the horizontal plane. For the occupancy decoder, we adapt the vanilla Mask2Former for 3D semantic occupancy by proposing preserve-pooling and class-guided sampling, which notably mitigate the sparsity and class imbalance. Experimental results demonstrate that OccFormer significantly outperforms existing methods for semantic scene completion on SemanticKITTI dataset and for LiDAR semantic segmentation on nuScenes dataset. Code is available at https://github.com/zhangyp15/OccFormer.

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively explored, translating protein structure to function continues to present substantial challenges. Various models, particularly, CNN and graph-based deep learning approaches that integrate structural and functional data, have been proposed to address these challenges. However, these methods often fall short in elucidating the functional significance of key residues essential for protein functionality, as they predominantly adopt a retrospective perspective, leading to suboptimal performance. Inspired by region proposal networks in computer vision, we introduce the Protein Region Proposal Network (ProteinRPN) for accurate protein function prediction. Specifically, the region proposal module component of ProteinRPN identifies potential functional regions (anchors) which are refined through the hierarchy-aware node drop pooling layer favoring nodes with defined secondary structures and spatial proximity. The representations of the predicted functional nodes are enriched using attention mechanisms and subsequently fed into a Graph Multiset Transformer, which is trained with supervised contrastive (SupCon) and InfoNCE losses on perturbed protein structures. Our model demonstrates significant improvements in predicting Gene Ontology (GO) terms, effectively localizing functional residues within protein structures. The proposed framework provides a robust, scalable solution for protein function annotation, advancing the understanding of protein structure-function relationships in computational biology.

To achieve seamless collaboration between robots and humans in a shared environment, accurately predicting future human movements is essential. Human motion prediction has traditionally been approached as a sequence prediction problem, leveraging historical human motion data to estimate future poses. Beginning with vanilla recurrent networks, the research community has investigated a variety of methods for learning human motion dynamics, encompassing graph-based and generative approaches. Despite these efforts, achieving accurate long-term predictions continues to be a significant challenge. In this regard, we present the Adversarial Motion Transformer (AdvMT), a novel model that integrates a transformer-based motion encoder and a temporal continuity discriminator. This combination effectively captures spatial and temporal dependencies simultaneously within frames. With adversarial training, our method effectively reduces the unwanted artifacts in predictions, thereby ensuring the learning of more realistic and fluid human motions. The evaluation results indicate that AdvMT greatly enhances the accuracy of long-term predictions while also delivering robust short-term predictions

Various XAI attribution methods have been recently proposed for the transformer architecture, allowing for insights into the decision-making process of large language models by assigning importance scores to input tokens and intermediate representations. One class of methods that seems very promising in this direction includes decomposition-based approaches, i.e., XAI-methods that redistribute the model's prediction logit through the network, as this value is directly related to the prediction. In the previous literature we note though that two prominent methods of this category, namely ALTI-Logit and LRP, have not yet been analyzed in juxtaposition and hence we propose to close this gap by conducting a careful quantitative evaluation w.r.t. ground truth annotations on a subject-verb agreement task, as well as various qualitative inspections, using BERT, GPT-2 and LLaMA-3 as a testbed. Along the way we compare and extend the ALTI-Logit and LRP methods, including the recently proposed AttnLRP variant, from an algorithmic and implementation perspective. We further incorporate in our benchmark two widely-used gradient-based attribution techniques. Finally, we make our carefullly constructed benchmark dataset for evaluating attributions on language models, as well as our code, publicly available in order to foster evaluation of XAI-methods on a well-defined common ground.

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer architectures, we demonstrate a flexible framework to capture complex chemical structures. First trained on the QM9 dataset and a series of quantum mechanical properties (e.g. homo, lumo, free energy, heat capacity, etc.), we then generalize the model to study and design key properties of deep eutectic solvents. In addition to separate forward and inverse models, we also report an integrated fully prompt-based multi-task generative pretrained transformer model that solves multiple forward, inverse design, and prediction tasks, flexibly and within one model. We show that the multi-task generative model has the overall best performance and allows for flexible integration of multiple objectives, within one model, and for distinct chemistries, suggesting that synergies emerge during training of this large language model. Trained jointly in tasks related to the QM9 dataset and deep eutectic solvents (DESs), the model can predict various quantum mechanical properties and critical properties to achieve deep eutectic solvent behavior. Several novel combinations of DESs are proposed based on this framework.

Machine learning-based weather forecasting models have quickly emerged as a promising methodology for accurate medium-range global weather forecasting. Here, we introduce the Artificial Intelligence Forecasting System (AIFS), a data driven forecast model developed by the European Centre for Medium-Range Weather Forecasts (ECMWF). AIFS is based on a graph neural network (GNN) encoder and decoder, and a sliding window transformer processor, and is trained on ECMWF's ERA5 re-analysis and ECMWF's operational numerical weather prediction (NWP) analyses. It has a flexible and modular design and supports several levels of parallelism to enable training on high-resolution input data. AIFS forecast skill is assessed by comparing its forecasts to NWP analyses and direct observational data. We show that AIFS produces highly skilled forecasts for upper-air variables, surface weather parameters and tropical cyclone tracks. AIFS is run four times daily alongside ECMWF's physics-based NWP model and forecasts are available to the public under ECMWF's open data policy.

Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, have been developed with the purpose of picking completely new samples from a partially known space. Generative models offer high potential for designing de novo molecules; however, in order for them to be useful in real-life drug development pipelines, these models should be able to design target-specific molecules, which is the next step in this field. In this study, we propose DrugGEN, for the de novo design of drug candidate molecules that interact with selected target proteins. The proposed system represents compounds and protein structures as graphs and processes them via serially connected two generative adversarial networks comprising graph transformers. DrugGEN is trained using a large dataset of compounds from ChEMBL and target-specific bioactive molecules, to design effective and specific inhibitory molecules against the AKT1 protein, which has critical importance for developing treatments against various types of cancer. On fundamental benchmarks, DrugGEN models have either competitive or better performance against other methods. To assess the target-specific generation performance, we conducted further in silico analysis with molecular docking and deep learning-based bioactivity prediction. Results indicate that de novo molecules have high potential for interacting with the AKT1 protein structure in the level of its native ligand. DrugGEN can be used to design completely novel and effective target-specific drug candidate molecules for any druggable protein, given target features and a dataset of experimental bioactivities. Code base, datasets, results and trained models of DrugGEN are available at https://github.com/HUBioDataLab/DrugGEN

Based on the WASSA 2022 Shared Task on Empathy Detection and Emotion Classification, we predict the level of empathic concern and personal distress displayed in essays. For the first stage of this project we implemented a Feed-Forward Neural Network using sentence-level embeddings as features. We experimented with four different embedding models for generating the inputs to the neural network. The subsequent stage builds upon the previous work and we have implemented three types of revisions. The first revision focuses on the enhancements to the model architecture and the training approach. The second revision focuses on handling class imbalance using stratified data sampling. The third revision focuses on leveraging lexical resources, where we apply four different resources to enrich the features associated with the dataset. During the final stage of this project, we have created the final end-to-end system for the primary task using an ensemble of models to revise primary task performance. Additionally, as part of the final stage, these approaches have been adapted to the WASSA 2023 Shared Task on Empathy Emotion and Personality Detection in Interactions, in which the empathic concern, emotion polarity, and emotion intensity in dyadic text conversations are predicted.

The Multiplane Image (MPI), containing a set of fronto-parallel RGBA layers, is an effective and efficient representation for view synthesis from sparse inputs. Yet, its fixed structure limits the performance, especially for surfaces imaged at oblique angles. We introduce the Structural MPI (S-MPI), where the plane structure approximates 3D scenes concisely. Conveying RGBA contexts with geometrically-faithful structures, the S-MPI directly bridges view synthesis and 3D reconstruction. It can not only overcome the critical limitations of MPI, i.e., discretization artifacts from sloped surfaces and abuse of redundant layers, and can also acquire planar 3D reconstruction. Despite the intuition and demand of applying S-MPI, great challenges are introduced, e.g., high-fidelity approximation for both RGBA layers and plane poses, multi-view consistency, non-planar regions modeling, and efficient rendering with intersected planes. Accordingly, we propose a transformer-based network based on a segmentation model. It predicts compact and expressive S-MPI layers with their corresponding masks, poses, and RGBA contexts. Non-planar regions are inclusively handled as a special case in our unified framework. Multi-view consistency is ensured by sharing global proxy embeddings, which encode plane-level features covering the complete 3D scenes with aligned coordinates. Intensive experiments show that our method outperforms both previous state-of-the-art MPI-based view synthesis methods and planar reconstruction methods.

Humans' internal states play a key role in human-machine interaction, leading to the rise of human state estimation as a prominent field. Compared to swift state changes such as surprise and irritation, modeling gradual states like trust and satisfaction are further challenged by label sparsity: long time-series signals are usually associated with a single label, making it difficult to identify the critical span of state shifts. Windowing has been one widely-used technique to enable localized analysis of long time-series data. However, the performance of downstream models can be sensitive to the window size, and determining the optimal window size demands domain expertise and extensive search. To address this challenge, we propose a Selective Windowing Attention Network (SWAN), which employs window prompts and masked attention transformation to enable the selection of attended intervals with flexible lengths. We evaluate SWAN on the task of trust prediction on a new multimodal driving simulation dataset. Experiments show that SWAN significantly outperforms an existing empirical window selection baseline and neural network baselines including CNN-LSTM and Transformer. Furthermore, it shows robustness across a wide span of windowing ranges, compared to the traditional windowing approach.

Lane detection, the process of identifying lane markings as approximated curves, is widely used for lane departure warning and adaptive cruise control in autonomous vehicles. The popular pipeline that solves it in two steps -- feature extraction plus post-processing, while useful, is too inefficient and flawed in learning the global context and lanes' long and thin structures. To tackle these issues, we propose an end-to-end method that directly outputs parameters of a lane shape model, using a network built with a transformer to learn richer structures and context. The lane shape model is formulated based on road structures and camera pose, providing physical interpretation for parameters of network output. The transformer models non-local interactions with a self-attention mechanism to capture slender structures and global context. The proposed method is validated on the TuSimple benchmark and shows state-of-the-art accuracy with the most lightweight model size and fastest speed. Additionally, our method shows excellent adaptability to a challenging self-collected lane detection dataset, showing its powerful deployment potential in real applications. Codes are available at https://github.com/liuruijin17/LSTR.

We present a new table structure recognition (TSR) approach, called TSRFormer, to robustly recognizing the structures of complex tables with geometrical distortions from various table images. Unlike previous methods, we formulate table separation line prediction as a line regression problem instead of an image segmentation problem and propose a new two-stage DETR based separator prediction approach, dubbed Separator REgression TRansformer (SepRETR), to predict separation lines from table images directly. To make the two-stage DETR framework work efficiently and effectively for the separation line prediction task, we propose two improvements: 1) A prior-enhanced matching strategy to solve the slow convergence issue of DETR; 2) A new cross attention module to sample features from a high-resolution convolutional feature map directly so that high localization accuracy is achieved with low computational cost. After separation line prediction, a simple relation network based cell merging module is used to recover spanning cells. With these new techniques, our TSRFormer achieves state-of-the-art performance on several benchmark datasets, including SciTSR, PubTabNet and WTW. Furthermore, we have validated the robustness of our approach to tables with complex structures, borderless cells, large blank spaces, empty or spanning cells as well as distorted or even curved shapes on a more challenging real-world in-house dataset.

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.

The transformer is a neural network component that can be used to learn useful representations of sequences or sets of data-points. The transformer has driven recent advances in natural language processing, computer vision, and spatio-temporal modelling. There are many introductions to transformers, but most do not contain precise mathematical descriptions of the architecture and the intuitions behind the design choices are often also missing. Moreover, as research takes a winding path, the explanations for the components of the transformer can be idiosyncratic. In this note we aim for a mathematically precise, intuitive, and clean description of the transformer architecture. We will not discuss training as this is rather standard. We assume that the reader is familiar with fundamental topics in machine learning including multi-layer perceptrons, linear transformations, softmax functions and basic probability.

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

Short-term action anticipation (STA) in first-person videos is a challenging task that involves understanding the next active object interactions and predicting future actions. Existing action anticipation methods have primarily focused on utilizing features extracted from video clips, but often overlooked the importance of objects and their interactions. To this end, we propose a novel approach that applies a guided attention mechanism between the objects, and the spatiotemporal features extracted from video clips, enhancing the motion and contextual information, and further decoding the object-centric and motion-centric information to address the problem of STA in egocentric videos. Our method, GANO (Guided Attention for Next active Objects) is a multi-modal, end-to-end, single transformer-based network. The experimental results performed on the largest egocentric dataset demonstrate that GANO outperforms the existing state-of-the-art methods for the prediction of the next active object label, its bounding box location, the corresponding future action, and the time to contact the object. The ablation study shows the positive contribution of the guided attention mechanism compared to other fusion methods. Moreover, it is possible to improve the next active object location and class label prediction results of GANO by just appending the learnable object tokens with the region of interest embeddings.

Recent advances in interpretability suggest we can project weights and hidden states of transformer-based language models (LMs) to their vocabulary, a transformation that makes them human interpretable and enables us to assign semantics to what was seen only as numerical vectors. In this paper, we interpret LM attention heads and memory values, the vectors the models dynamically create and recall while processing a given input. By analyzing the tokens they represent through this projection, we identify patterns in the information flow inside the attention mechanism. Based on these discoveries, we create a tool to visualize a forward pass of Generative Pre-trained Transformers (GPTs) as an interactive flow graph, with nodes representing neurons or hidden states and edges representing the interactions between them. Our visualization simplifies huge amounts of data into easy-to-read plots that reflect why models output their results. We demonstrate the utility of our modeling by identifying the effect LM components have on the intermediate processing in the model before outputting a prediction. For instance, we discover that layer norms are used as semantic filters and find neurons that act as regularization vectors.

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.

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.

This paper presents a novel Region-Aware Face Swapping (RAFSwap) network to achieve identity-consistent harmonious high-resolution face generation in a local-global manner: 1) Local Facial Region-Aware (FRA) branch augments local identity-relevant features by introducing the Transformer to effectively model misaligned cross-scale semantic interaction. 2) Global Source Feature-Adaptive (SFA) branch further complements global identity-relevant cues for generating identity-consistent swapped faces. Besides, we propose a Face Mask Predictor (FMP) module incorporated with StyleGAN2 to predict identity-relevant soft facial masks in an unsupervised manner that is more practical for generating harmonious high-resolution faces. Abundant experiments qualitatively and quantitatively demonstrate the superiority of our method for generating more identity-consistent high-resolution swapped faces over SOTA methods, \eg, obtaining 96.70 ID retrieval that outperforms SOTA MegaFS by 5.87uparrow.

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.

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.

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.

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.

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.

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.

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

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

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.

Transformers, currently the state-of-the-art in natural language understanding (NLU) tasks, are prone to generate uncalibrated predictions or extreme probabilities, making the process of taking different decisions based on their output relatively difficult. In this paper we propose to build several inductive Venn--ABERS predictors (IVAP), which are guaranteed to be well calibrated under minimal assumptions, based on a selection of pre-trained transformers. We test their performance over a set of diverse NLU tasks and show that they are capable of producing well-calibrated probabilistic predictions that are uniformly spread over the [0,1] interval -- all while retaining the original model's predictive accuracy.

As the Chinese stock market continues to evolve and its market structure grows increasingly complex, traditional quantitative trading methods are facing escalating challenges. Particularly, due to policy uncertainty and the frequent market fluctuations triggered by sudden economic events, existing models often struggle to accurately predict market dynamics. To address these challenges, this paper introduces Stockformer, a price-volume factor stock selection model that integrates wavelet transformation and a multitask self-attention network, aimed at enhancing responsiveness and predictive accuracy regarding market instabilities. Through discrete wavelet transform, Stockformer decomposes stock returns into high and low frequencies, meticulously capturing long-term market trends and short-term fluctuations, including abrupt events. Moreover, the model incorporates a Dual-Frequency Spatiotemporal Encoder and graph embedding techniques to effectively capture complex temporal and spatial relationships among stocks. Employing a multitask learning strategy, it simultaneously predicts stock returns and directional trends. Experimental results show that Stockformer outperforms existing advanced methods on multiple real stock market datasets. In strategy backtesting, Stockformer consistently demonstrates exceptional stability and reliability across market conditions-whether rising, falling, or fluctuating-particularly maintaining high performance during downturns or volatile periods, indicating a high adaptability to market fluctuations. To foster innovation and collaboration in the financial analysis sector, the Stockformer model's code has been open-sourced and is available on the GitHub repository: https://github.com/Eric991005/Multitask-Stockformer.

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.

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.

Attention-based neural networks such as transformers have demonstrated a remarkable ability to exhibit in-context learning (ICL): Given a short prompt sequence of tokens from an unseen task, they can formulate relevant per-token and next-token predictions without any parameter updates. By embedding a sequence of labeled training data and unlabeled test data as a prompt, this allows for transformers to behave like supervised learning algorithms. Indeed, recent work has shown that when training transformer architectures over random instances of linear regression problems, these models' predictions mimic those of ordinary least squares. Towards understanding the mechanisms underlying this phenomenon, we investigate the dynamics of ICL in transformers with a single linear self-attention layer trained by gradient flow on linear regression tasks. We show that despite non-convexity, gradient flow with a suitable random initialization finds a global minimum of the objective function. At this global minimum, when given a test prompt of labeled examples from a new prediction task, the transformer achieves prediction error competitive with the best linear predictor over the test prompt distribution. We additionally characterize the robustness of the trained transformer to a variety of distribution shifts and show that although a number of shifts are tolerated, shifts in the covariate distribution of the prompts are not. Motivated by this, we consider a generalized ICL setting where the covariate distributions can vary across prompts. We show that although gradient flow succeeds at finding a global minimum in this setting, the trained transformer is still brittle under mild covariate shifts. We complement this finding with experiments on large, nonlinear transformer architectures which we show are more robust under covariate shifts.

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.

Research at the intersection of personality psychology, computer science, and linguistics has recently focused increasingly on modeling and predicting personality from language use. We report two major improvements in predicting personality traits from text data: (1) to our knowledge, the most comprehensive set of theory-based psycholinguistic features and (2) hybrid models that integrate a pre-trained Transformer Language Model BERT and Bidirectional Long Short-Term Memory (BLSTM) networks trained on within-text distributions ('text contours') of psycholinguistic features. We experiment with BLSTM models (with and without Attention) and with two techniques for applying pre-trained language representations from the transformer model - 'feature-based' and 'fine-tuning'. We evaluate the performance of the models we built on two benchmark datasets that target the two dominant theoretical models of personality: the Big Five Essay dataset and the MBTI Kaggle dataset. Our results are encouraging as our models outperform existing work on the same datasets. More specifically, our models achieve improvement in classification accuracy by 2.9% on the Essay dataset and 8.28% on the Kaggle MBTI dataset. In addition, we perform ablation experiments to quantify the impact of different categories of psycholinguistic features in the respective personality prediction models.

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.

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.

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.

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.

We propose an efficient design of Transformer-based models for multivariate time series forecasting and self-supervised representation learning. It is based on two key components: (i) segmentation of time series into subseries-level patches which are served as input tokens to Transformer; (ii) channel-independence where each channel contains a single univariate time series that shares the same embedding and Transformer weights across all the series. Patching design naturally has three-fold benefit: local semantic information is retained in the embedding; computation and memory usage of the attention maps are quadratically reduced given the same look-back window; and the model can attend longer history. Our channel-independent patch time series Transformer (PatchTST) can improve the long-term forecasting accuracy significantly when compared with that of SOTA Transformer-based models. We also apply our model to self-supervised pre-training tasks and attain excellent fine-tuning performance, which outperforms supervised training on large datasets. Transferring of masked pre-trained representation on one dataset to others also produces SOTA forecasting accuracy. Code is available at: https://github.com/yuqinie98/PatchTST.

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.

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples (x, f(x)) presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding smaller models in their activations, and updating these implicit models as new examples appear in the context. Using linear regression as a prototypical problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form ridge regression. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary, and converging to Bayesian estimators for large widths and depths. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers non-linearly encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may rediscover standard estimation algorithms. Code and reference implementations are released at https://github.com/ekinakyurek/google-research/blob/master/incontext.

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.

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 recent years, Transformers have become the de-facto architecture for sequence modeling on text and a variety of multi-dimensional data, such as images and video. However, the use of self-attention layers in a Transformer incurs prohibitive compute and memory complexity that scales quadratically w.r.t. the sequence length. A recent architecture, Mamba, based on state space models has been shown to achieve comparable performance for modeling text sequences, while scaling linearly with the sequence length. In this work, we present Mamba-ND, a generalized design extending the Mamba architecture to arbitrary multi-dimensional data. Our design alternatively unravels the input data across different dimensions following row-major orderings. We provide a systematic comparison of Mamba-ND with several other alternatives, based on prior multi-dimensional extensions such as Bi-directional LSTMs and S4ND. Empirically, we show that Mamba-ND demonstrates performance competitive with the state-of-the-art on a variety of multi-dimensional benchmarks, including ImageNet-1K classification, HMDB-51 action recognition, and ERA5 weather forecasting.

In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can learn gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a teaching sequence, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement two distinct algorithms to solve a single task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.

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

Many real-world applications require the prediction of long sequence time-series, such as electricity consumption planning. Long sequence time-series forecasting (LSTF) demands a high prediction capacity of the model, which is the ability to capture precise long-range dependency coupling between output and input efficiently. Recent studies have shown the potential of Transformer to increase the prediction capacity. However, there are several severe issues with Transformer that prevent it from being directly applicable to LSTF, including quadratic time complexity, high memory usage, and inherent limitation of the encoder-decoder architecture. To address these issues, we design an efficient transformer-based model for LSTF, named Informer, with three distinctive characteristics: (i) a ProbSparse self-attention mechanism, which achieves O(L log L) in time complexity and memory usage, and has comparable performance on sequences' dependency alignment. (ii) the self-attention distilling highlights dominating attention by halving cascading layer input, and efficiently handles extreme long input sequences. (iii) the generative style decoder, while conceptually simple, predicts the long time-series sequences at one forward operation rather than a step-by-step way, which drastically improves the inference speed of long-sequence predictions. Extensive experiments on four large-scale datasets demonstrate that Informer significantly outperforms existing methods and provides a new solution to the LSTF problem.

Increasing the size of a Transformer model does not always lead to enhanced performance. This phenomenon cannot be explained by the empirical scaling laws. Furthermore, improved generalization ability occurs as the model memorizes the training samples. We present a theoretical framework that sheds light on the memorization process and performance dynamics of transformer-based language models. We model the behavior of Transformers with associative memories using Hopfield networks, such that each transformer block effectively conducts an approximate nearest-neighbor search. Based on this, we design an energy function analogous to that in the modern continuous Hopfield network which provides an insightful explanation for the attention mechanism. Using the majorization-minimization technique, we construct a global energy function that captures the layered architecture of the Transformer. Under specific conditions, we show that the minimum achievable cross-entropy loss is bounded from below by a constant approximately equal to 1. We substantiate our theoretical results by conducting experiments with GPT-2 on various data sizes, as well as training vanilla Transformers on a dataset of 2M tokens.

Transformers for time series forecasting mainly model time series from limited or fixed scales, making it challenging to capture different characteristics spanning various scales. We propose Pathformer, a multi-scale Transformer with adaptive pathways. It integrates both temporal resolution and temporal distance for multi-scale modeling. Multi-scale division divides the time series into different temporal resolutions using patches of various sizes. Based on the division of each scale, dual attention is performed over these patches to capture global correlations and local details as temporal dependencies. We further enrich the multi-scale Transformer with adaptive pathways, which adaptively adjust the multi-scale modeling process based on the varying temporal dynamics of the input, improving the accuracy and generalization of Pathformer. Extensive experiments on eleven real-world datasets demonstrate that Pathformer not only achieves state-of-the-art performance by surpassing all current models but also exhibits stronger generalization abilities under various transfer scenarios. The code is made available at https://github.com/decisionintelligence/pathformer.

Feed-forward layers constitute two-thirds of a transformer model's parameters, yet their role in the network remains under-explored. We show that feed-forward layers in transformer-based language models operate as key-value memories, where each key correlates with textual patterns in the training examples, and each value induces a distribution over the output vocabulary. Our experiments show that the learned patterns are human-interpretable, and that lower layers tend to capture shallow patterns, while upper layers learn more semantic ones. The values complement the keys' input patterns by inducing output distributions that concentrate probability mass on tokens likely to appear immediately after each pattern, particularly in the upper layers. Finally, we demonstrate that the output of a feed-forward layer is a composition of its memories, which is subsequently refined throughout the model's layers via residual connections to produce the final output distribution.

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.

In spite of their huge success, transformer models remain difficult to scale in depth. In this work, we develop a unified signal propagation theory and provide formulae that govern the moments of the forward and backward signal through the transformer model. Our framework can be used to understand and mitigate vanishing/exploding gradients, rank collapse, and instability associated with high attention scores. We also propose DeepScaleLM, an initialization and scaling scheme that conserves unit output/gradient moments throughout the model, enabling the training of very deep models with 100s of layers. We find that transformer models could be much deeper - our deep models with fewer parameters outperform shallow models in Language Modeling, Speech Translation, and Image Classification, across Encoder-only, Decoder-only and Encoder-Decoder variants, for both Pre-LN and Post-LN transformers, for multiple datasets and model sizes. These improvements also translate into improved performance on downstream Question Answering tasks and improved robustness for image classification.

Transformers have been established as the most popular backbones in sequence modeling, mainly due to their effectiveness in in-context retrieval tasks and the ability to learn at scale. Their quadratic memory and time complexity, however, bound their applicability in longer sequences and so has motivated researchers to explore effective alternative architectures such as modern recurrent neural networks (a.k.a long-term recurrent memory module). Despite their recent success in diverse downstream tasks, they struggle in tasks that requires long context understanding and extrapolation to longer sequences. We observe that these shortcomings come from three disjoint aspects in their design: (1) limited memory capacity that is bounded by the architecture of memory and feature mapping of the input; (2) online nature of update, i.e., optimizing the memory only with respect to the last input; and (3) less expressive management of their fixed-size memory. To enhance all these three aspects, we present ATLAS, a long-term memory module with high capacity that learns to memorize the context by optimizing the memory based on the current and past tokens, overcoming the online nature of long-term memory models. Building on this insight, we present a new family of Transformer-like architectures, called DeepTransformers, that are strict generalizations of the original Transformer architecture. Our experimental results on language modeling, common-sense reasoning, recall-intensive, and long-context understanding tasks show that ATLAS surpasses the performance of Transformers and recent linear recurrent models. ATLAS further improves the long context performance of Titans, achieving +80\% accuracy in 10M context length of BABILong benchmark.

The advent of Transformers marked a significant breakthrough in sequence modelling, providing a highly performant architecture capable of leveraging GPU parallelism. However, Transformers are computationally expensive at inference time, limiting their applications, particularly in low-resource settings (e.g., mobile and embedded devices). Addressing this, we (1) begin by showing that attention can be viewed as a special Recurrent Neural Network (RNN) with the ability to compute its many-to-one RNN output efficiently. We then (2) show that popular attention-based models such as Transformers can be viewed as RNN variants. However, unlike traditional RNNs (e.g., LSTMs), these models cannot be updated efficiently with new tokens, an important property in sequence modelling. Tackling this, we (3) introduce a new efficient method of computing attention's many-to-many RNN output based on the parallel prefix scan algorithm. Building on the new attention formulation, we (4) introduce Aaren, an attention-based module that can not only (i) be trained in parallel (like Transformers) but also (ii) be updated efficiently with new tokens, requiring only constant memory for inferences (like traditional RNNs). Empirically, we show Aarens achieve comparable performance to Transformers on 38 datasets spread across four popular sequential problem settings: reinforcement learning, event forecasting, time series classification, and time series forecasting tasks while being more time and memory-efficient.

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.

Transformers have greatly advanced the state-of-the-art in Natural Language Processing (NLP) in recent years, but present very large computation and storage requirements. We observe that the design process of Transformers (pre-train a foundation model on a large dataset in a self-supervised manner, and subsequently fine-tune it for different downstream tasks) leads to task-specific models that are highly over-parameterized, adversely impacting both accuracy and inference efficiency. We propose AxFormer, a systematic framework that applies accuracy-driven approximations to create optimized transformer models for a given downstream task. AxFormer combines two key optimizations -- accuracy-driven pruning and selective hard attention. Accuracy-driven pruning identifies and removes parts of the fine-tuned transformer that hinder performance on the given downstream task. Sparse hard-attention optimizes attention blocks in selected layers by eliminating irrelevant word aggregations, thereby helping the model focus only on the relevant parts of the input. In effect, AxFormer leads to models that are more accurate, while also being faster and smaller. Our experiments on GLUE and SQUAD tasks show that AxFormer models are up to 4.5% more accurate, while also being up to 2.5X faster and up to 3.2X smaller than conventional fine-tuned models. In addition, we demonstrate that AxFormer can be combined with previous efforts such as distillation or quantization to achieve further efficiency gains.

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

Transformers provide a class of expressive architectures that are extremely effective for sequence modeling. However, the key limitation of transformers is their quadratic memory and time complexity O(L^2) with respect to the sequence length in attention layers, which restricts application in extremely long sequences. Most existing approaches leverage sparsity or low-rank assumptions in the attention matrix to reduce cost, but sacrifice expressiveness. Instead, we propose Combiner, which provides full attention capability in each attention head while maintaining low computation and memory complexity. The key idea is to treat the self-attention mechanism as a conditional expectation over embeddings at each location, and approximate the conditional distribution with a structured factorization. Each location can attend to all other locations, either via direct attention, or through indirect attention to abstractions, which are again conditional expectations of embeddings from corresponding local regions. We show that most sparse attention patterns used in existing sparse transformers are able to inspire the design of such factorization for full attention, resulting in the same sub-quadratic cost (O(Llog(L)) or O(LL)). Combiner is a drop-in replacement for attention layers in existing transformers and can be easily implemented in common frameworks. An experimental evaluation on both autoregressive and bidirectional sequence tasks demonstrates the effectiveness of this approach, yielding state-of-the-art results on several image and text modeling tasks.

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.

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.

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.

Humans can easily understand a single image as depicting multiple potential objects permitting interaction. We use this skill to plan our interactions with the world and accelerate understanding new objects without engaging in interaction. In this paper, we would like to endow machines with the similar ability, so that intelligent agents can better explore the 3D scene or manipulate objects. Our approach is a transformer-based model that predicts the 3D location, physical properties and affordance of objects. To power this model, we collect a dataset with Internet videos, egocentric videos and indoor images to train and validate our approach. Our model yields strong performance on our data, and generalizes well to robotics data.

Pre-trained Large Language Models (LLMs) encapsulate large amounts of knowledge and take enormous amounts of compute to train. We make use of this resource, together with the observation that LLMs are able to transfer knowledge and performance from one domain or even modality to another seemingly-unrelated area, to help with multivariate demand time series forecasting. Attention in transformer-based methods requires something worth attending to -- more than just samples of a time-series. We explore different methods to map multivariate input time series into the LLM token embedding space. In particular, our novel multivariate patching strategy to embed time series features into decoder-only pre-trained Transformers produces results competitive with state-of-the-art time series forecasting models. We also use recently-developed weight-based diagnostics to validate our findings.

Large models based on the Transformer architecture play increasingly vital roles in artificial intelligence, particularly within the realms of natural language processing (NLP) and computer vision (CV). Model compression methods reduce their memory and computational cost, which is a necessary step to implement the transformer models on practical devices. Given the unique architecture of transformer, featuring alternative attention and Feedforward Neural Network (FFN) modules, specific compression techniques are required. The efficiency of these compression methods is also paramount, as it is usually impractical to retrain large models on the entire training dataset.This survey provides a comprehensive review of recent compression methods, with a specific focus on their application to transformer models. The compression methods are primarily categorized into pruning, quantization, knowledge distillation, and efficient architecture design. In each category, we discuss compression methods for both CV and NLP tasks, highlighting common underlying principles. At last, we delve into the relation between various compression methods, and discuss the further directions in this domain.

We introduce Attention Free Transformer (AFT), an efficient variant of Transformers that eliminates the need for dot product self attention. In an AFT layer, the key and value are first combined with a set of learned position biases, the result of which is multiplied with the query in an element-wise fashion. This new operation has a memory complexity linear w.r.t. both the context size and the dimension of features, making it compatible to both large input and model sizes. We also introduce AFT-local and AFT-conv, two model variants that take advantage of the idea of locality and spatial weight sharing while maintaining global connectivity. We conduct extensive experiments on two autoregressive modeling tasks (CIFAR10 and Enwik8) as well as an image recognition task (ImageNet-1K classification). We show that AFT demonstrates competitive performance on all the benchmarks, while providing excellent efficiency at the same time.

Self-attention techniques, and specifically Transformers, are dominating the field of text processing and are becoming increasingly popular in computer vision classification tasks. In order to visualize the parts of the image that led to a certain classification, existing methods either rely on the obtained attention maps or employ heuristic propagation along the attention graph. In this work, we propose a novel way to compute relevancy for Transformer networks. The method assigns local relevance based on the Deep Taylor Decomposition principle and then propagates these relevancy scores through the layers. This propagation involves attention layers and skip connections, which challenge existing methods. Our solution is based on a specific formulation that is shown to maintain the total relevancy across layers. We benchmark our method on very recent visual Transformer networks, as well as on a text classification problem, and demonstrate a clear advantage over the existing explainability methods.

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.

Transformers have achieved superior performances in many tasks in natural language processing and computer vision, which also triggered great interest in the time series community. Among multiple advantages of Transformers, the ability to capture long-range dependencies and interactions is especially attractive for time series modeling, leading to exciting progress in various time series applications. In this paper, we systematically review Transformer schemes for time series modeling by highlighting their strengths as well as limitations. In particular, we examine the development of time series Transformers in two perspectives. From the perspective of network structure, we summarize the adaptations and modifications that have been made to Transformers in order to accommodate the challenges in time series analysis. From the perspective of applications, we categorize time series Transformers based on common tasks including forecasting, anomaly detection, and classification. Empirically, we perform robust analysis, model size analysis, and seasonal-trend decomposition analysis to study how Transformers perform in time series. Finally, we discuss and suggest future directions to provide useful research guidance. To the best of our knowledge, this paper is the first work to comprehensively and systematically summarize the recent advances of Transformers for modeling time series data. We hope this survey will ignite further research interests in time series Transformers.

Transformer-based language models (LMs) are at the core of modern NLP, but their internal prediction construction process is opaque and largely not understood. In this work, we make a substantial step towards unveiling this underlying prediction process, by reverse-engineering the operation of the feed-forward network (FFN) layers, one of the building blocks of transformer models. We view the token representation as a changing distribution over the vocabulary, and the output from each FFN layer as an additive update to that distribution. Then, we analyze the FFN updates in the vocabulary space, showing that each update can be decomposed to sub-updates corresponding to single FFN parameter vectors, each promoting concepts that are often human-interpretable. We then leverage these findings for controlling LM predictions, where we reduce the toxicity of GPT2 by almost 50%, and for improving computation efficiency with a simple early exit rule, saving 20% of computation on average.

We present pure-transformer based models for video classification, drawing upon the recent success of such models in image classification. Our model extracts spatio-temporal tokens from the input video, which are then encoded by a series of transformer layers. In order to handle the long sequences of tokens encountered in video, we propose several, efficient variants of our model which factorise the spatial- and temporal-dimensions of the input. Although transformer-based models are known to only be effective when large training datasets are available, we show how we can effectively regularise the model during training and leverage pretrained image models to be able to train on comparatively small datasets. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple video classification benchmarks including Kinetics 400 and 600, Epic Kitchens, Something-Something v2 and Moments in Time, outperforming prior methods based on deep 3D convolutional networks. To facilitate further research, we release code at https://github.com/google-research/scenic/tree/main/scenic/projects/vivit

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.

Transformers have achieved remarkable success across diverse domains, but their monolithic architecture presents challenges in interpretability, adaptability, and scalability. This paper introduces a novel modular Transformer architecture that explicitly decouples knowledge and reasoning through a generalized cross-attention mechanism to a globally shared knowledge base with layer-specific transformations, specifically designed for effective knowledge retrieval. Critically, we provide a rigorous mathematical derivation demonstrating that the Feed-Forward Network (FFN) in a standard Transformer is a specialized case (a closure) of this generalized cross-attention, revealing its role in implicit knowledge retrieval and validating our design. This theoretical framework provides a new lens for understanding FFNs and lays the foundation for future research exploring enhanced interpretability, adaptability, and scalability, enabling richer interplay with external knowledge bases and other systems.

Syntactic structures used to play a vital role in natural language processing (NLP), but since the deep learning revolution, NLP has been gradually dominated by neural models that do not consider syntactic structures in their design. One vastly successful class of neural models is transformers. When used as an encoder, a transformer produces contextual representation of words in the input sentence. In this work, we propose a new model of contextual word representation, not from a neural perspective, but from a purely syntactic and probabilistic perspective. Specifically, we design a conditional random field that models discrete latent representations of all words in a sentence as well as dependency arcs between them; and we use mean field variational inference for approximate inference. Strikingly, we find that the computation graph of our model resembles transformers, with correspondences between dependencies and self-attention and between distributions over latent representations and contextual embeddings of words. Experiments show that our model performs competitively to transformers on small to medium sized datasets. We hope that our work could help bridge the gap between traditional syntactic and probabilistic approaches and cutting-edge neural approaches to NLP, and inspire more linguistically-principled neural approaches in the future.

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.

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.

Time series forecasting is important across various domains for decision-making. In particular, financial time series such as stock prices can be hard to predict as it is difficult to model short-term and long-term temporal dependencies between data points. Convolutional Neural Networks (CNN) are good at capturing local patterns for modeling short-term dependencies. However, CNNs cannot learn long-term dependencies due to the limited receptive field. Transformers on the other hand are capable of learning global context and long-term dependencies. In this paper, we propose to harness the power of CNNs and Transformers to model both short-term and long-term dependencies within a time series, and forecast if the price would go up, down or remain the same (flat) in the future. In our experiments, we demonstrated the success of the proposed method in comparison to commonly adopted statistical and deep learning methods on forecasting intraday stock price change of S&P 500 constituents.

Which transformer scaling regimes are able to perfectly solve different classes of algorithmic problems? While tremendous empirical advances have been attained by transformer-based neural networks, a theoretical understanding of their algorithmic reasoning capabilities in realistic parameter regimes is lacking. We investigate this question in terms of the network's depth, width, and number of extra tokens for algorithm execution. Our novel representational hierarchy separates 9 algorithmic reasoning problems into classes solvable by transformers in different realistic parameter scaling regimes. We prove that logarithmic depth is necessary and sufficient for tasks like graph connectivity, while single-layer transformers with small embedding dimensions can solve contextual retrieval tasks. We also support our theoretical analysis with ample empirical evidence using the GraphQA benchmark. These results show that transformers excel at many graph reasoning tasks, even outperforming specialized graph neural networks.

Transformers are widely used for solving tasks in natural language processing, computer vision, speech, and music domains. In this paper, we talk about the efficiency of transformers in terms of memory (the number of parameters), computation cost (number of floating points operations), and performance of models, including accuracy, the robustness of the model, and fair \& bias-free features. We mainly discuss the vision transformer for the image classification task. Our contribution is to introduce an efficient 360 framework, which includes various aspects of the vision transformer, to make it more efficient for industrial applications. By considering those applications, we categorize them into multiple dimensions such as privacy, robustness, transparency, fairness, inclusiveness, continual learning, probabilistic models, approximation, computational complexity, and spectral complexity. We compare various vision transformer models based on their performance, the number of parameters, and the number of floating point operations (FLOPs) on multiple datasets.

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.

TabPFN [Hollmann et al., 2023], a Transformer model pretrained to perform in-context learning on fresh tabular classification problems, was presented at the last ICLR conference. To better understand its behavior, we treat it as a black-box function approximator generator and observe its generated function approximations on a varied selection of training datasets. Exploring its learned inductive biases in this manner, we observe behavior that is at turns either brilliant or baffling. We conclude this post with thoughts on how these results might inform the development, evaluation, and application of prior-data fitted networks (PFNs) in the future.

Transformer architecture has widespread applications, particularly in Natural Language Processing and computer vision. Recently Transformers have been employed in various aspects of time-series analysis. This tutorial provides an overview of the Transformer architecture, its applications, and a collection of examples from recent research papers in time-series analysis. We delve into an explanation of the core components of the Transformer, including the self-attention mechanism, positional encoding, multi-head, and encoder/decoder. Several enhancements to the initial, Transformer architecture are highlighted to tackle time-series tasks. The tutorial also provides best practices and techniques to overcome the challenge of effectively training Transformers for time-series analysis.

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 have been recently adapted for large scale image classification, achieving high scores shaking up the long supremacy of convolutional neural networks. However the optimization of image transformers has been little studied so far. In this work, we build and optimize deeper transformer networks for image classification. In particular, we investigate the interplay of architecture and optimization of such dedicated transformers. We make two transformers architecture changes that significantly improve the accuracy of deep transformers. This leads us to produce models whose performance does not saturate early with more depth, for instance we obtain 86.5% top-1 accuracy on Imagenet when training with no external data, we thus attain the current SOTA with less FLOPs and parameters. Moreover, our best model establishes the new state of the art on Imagenet with Reassessed labels and Imagenet-V2 / match frequency, in the setting with no additional training data. We share our code and models.

Transformer-based pre-trained models with millions of parameters require large storage. Recent approaches tackle this shortcoming by training adapters, but these approaches still require a relatively large number of parameters. In this study, AdapterBias, a surprisingly simple yet effective adapter architecture, is proposed. AdapterBias adds a token-dependent shift to the hidden output of transformer layers to adapt to downstream tasks with only a vector and a linear layer. Extensive experiments are conducted to demonstrate the effectiveness of AdapterBias. The experiments show that our proposed method can dramatically reduce the trainable parameters compared to the previous works with a minimal decrease in task performances compared with fine-tuned pre-trained models. We further find that AdapterBias automatically learns to assign more significant representation shifts to the tokens related to the task in consideration.

The great success of transformer-based models in natural language processing (NLP) has led to various attempts at adapting these architectures to other domains such as vision and audio. Recent work has shown that transformers can outperform Convolutional Neural Networks (CNNs) on vision and audio tasks. However, one of the main shortcomings of transformer models, compared to the well-established CNNs, is the computational complexity. In transformers, the compute and memory complexity is known to grow quadratically with the input length. Therefore, there has been extensive work on optimizing transformers, but often at the cost of degrading predictive performance. In this work, we propose a novel method to optimize and regularize transformers on audio spectrograms. Our proposed models achieve a new state-of-the-art performance on Audioset and can be trained on a single consumer-grade GPU. Furthermore, we propose a transformer model that outperforms CNNs in terms of both performance and training speed. Source code: https://github.com/kkoutini/PaSST

Recently, neural networks purely based on attention were shown to address image understanding tasks such as image classification. However, these visual transformers are pre-trained with hundreds of millions of images using an expensive infrastructure, thereby limiting their adoption. In this work, we produce a competitive convolution-free transformer by training on Imagenet only. We train them on a single computer in less than 3 days. Our reference vision transformer (86M parameters) achieves top-1 accuracy of 83.1% (single-crop evaluation) on ImageNet with no external data. More importantly, we introduce a teacher-student strategy specific to transformers. It relies on a distillation token ensuring that the student learns from the teacher through attention. We show the interest of this token-based distillation, especially when using a convnet as a teacher. This leads us to report results competitive with convnets for both Imagenet (where we obtain up to 85.2% accuracy) and when transferring to other tasks. We share our code and models.

Understanding the inner workings of machine learning models like Transformers is vital for their safe and ethical use. This paper provides a comprehensive analysis of a one-layer Transformer model trained to perform n-digit integer addition. Our findings suggest that the model dissects the task into parallel streams dedicated to individual digits, employing varied algorithms tailored to different positions within the digits. Furthermore, we identify a rare scenario characterized by high loss, which we explain. By thoroughly elucidating the model's algorithm, we provide new insights into its functioning. These findings are validated through rigorous testing and mathematical modeling, thereby contributing to the broader fields of model understanding and interpretability. Our approach opens the door for analyzing more complex tasks and multi-layer Transformer models.

Transformer architectures rely on explicit position encodings in order to preserve a notion of word order. In this paper, we argue that existing work does not fully utilize position information. For example, the initial proposal of a sinusoid embedding is fixed and not learnable. In this paper, we first review absolute position embeddings and existing methods for relative position embeddings. We then propose new techniques that encourage increased interaction between query, key and relative position embeddings in the self-attention mechanism. Our most promising approach is a generalization of the absolute position embedding, improving results on SQuAD1.1 compared to previous position embeddings approaches. In addition, we address the inductive property of whether a position embedding can be robust enough to handle long sequences. We demonstrate empirically that our relative position embedding method is reasonably generalized and robust from the inductive perspective. Finally, we show that our proposed method can be adopted as a near drop-in replacement for improving the accuracy of large models with a small computational budget.

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

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.

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.

The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard architecture that improves the perplexity of the model without increasing its size -- adding a few thousand parameters for large-scale models in the 100B parameters range. Our approach relies on an additional averaging step after each transformer block, which computes a weighted average of current and past representations -- we refer to this operation as Depth-Weighted-Average (DWA). The learned DWA weights exhibit coherent patterns of information flow, revealing the strong and structured reuse of activations from distant layers. Experiments demonstrate that DenseFormer is more data efficient, reaching the same perplexity of much deeper transformer models, and that for the same perplexity, these new models outperform transformer baselines in terms of memory efficiency and inference time.

In recent years, transformer-based models have gained prominence in multivariate long-term time series forecasting (LTSF), demonstrating significant advancements despite facing challenges such as high computational demands, difficulty in capturing temporal dynamics, and managing long-term dependencies. The emergence of LTSF-Linear, with its straightforward linear architecture, has notably outperformed transformer-based counterparts, prompting a reevaluation of the transformer's utility in time series forecasting. In response, this paper presents an adaptation of a recent architecture termed extended LSTM (xLSTM) for LTSF. xLSTM incorporates exponential gating and a revised memory structure with higher capacity that has good potential for LTSF. Our adopted architecture for LTSF termed as xLSTMTime surpasses current approaches. We compare xLSTMTime's performance against various state-of-the-art models across multiple real-world da-tasets, demonstrating superior forecasting capabilities. Our findings suggest that refined recurrent architectures can offer competitive alternatives to transformer-based models in LTSF tasks, po-tentially redefining the landscape of time series forecasting.

Ever since their conception, Transformers have taken over traditional sequence models in many tasks, such as NLP, image classification, and video/audio processing, for their fast training and superior performance. Much of the merit is attributable to positional encoding and multi-head attention. However, Transformers fall short in learning long-range dependencies mainly due to the quadratic complexity scaled with context length, in terms of both time and space. Consequently, over the past five years, a myriad of methods has been proposed to make Transformers more efficient. In this work, we first take a step back, study and compare existing solutions to long-sequence modeling in terms of their pure mathematical formulation. Specifically, we summarize them using a unified template, given their shared nature of token mixing. Through benchmarks, we then demonstrate that long context length does yield better performance, albeit application-dependent, and traditional Transformer models fall short in taking advantage of long-range dependencies. Next, inspired by emerging sparse models of huge capacity, we propose a machine learning system for handling million-scale dependencies. As a proof of concept, we evaluate the performance of one essential component of this system, namely, the distributed multi-head attention. We show that our algorithm can scale up attention computation by almost 40times using four GeForce RTX 4090 GPUs, compared to vanilla multi-head attention mechanism. We believe this study is an instrumental step towards modeling million-scale dependencies.

Transformer language models are state of the art in a multitude of NLP tasks. Despite these successes, their opaqueness remains problematic. Recent methods aiming to provide interpretability and explainability to black-box models primarily focus on post-hoc explanations of (sometimes spurious) input-output correlations. Instead, we emphasize using prototype networks directly incorporated into the model architecture and hence explain the reasoning process behind the network's decisions. Our architecture performs on par with several language models and, moreover, enables learning from user interactions. This not only offers a better understanding of language models but uses human capabilities to incorporate knowledge outside of the rigid range of purely data-driven approaches.

Transformers have become keystone models in natural language processing over the past decade. They have achieved great popularity in deep learning applications, but the increasing sizes of the parameter spaces required by transformer models generate a commensurate need to accelerate performance. Natural language processing problems are also routinely faced with variable-length sequences, as word counts commonly vary among sentences. Existing deep learning frameworks pad variable-length sequences to a maximal length, which adds significant memory and computational overhead. In this paper, we present ByteTransformer, a high-performance transformer boosted for variable-length inputs. We propose a padding-free algorithm that liberates the entire transformer from redundant computations on zero padded tokens. In addition to algorithmic-level optimization, we provide architecture-aware optimizations for transformer functional modules, especially the performance-critical algorithm Multi-Head Attention (MHA). Experimental results on an NVIDIA A100 GPU with variable-length sequence inputs validate that our fused MHA outperforms PyTorch by 6.13x. The end-to-end performance of ByteTransformer for a forward BERT transformer surpasses state-of-the-art transformer frameworks, such as PyTorch JIT, TensorFlow XLA, Tencent TurboTransformer, Microsoft DeepSpeed-Inference and NVIDIA FasterTransformer, by 87\%, 131\%, 138\%, 74\% and 55\%, respectively. We also demonstrate the general applicability of our optimization methods to other BERT-like models, including ALBERT, DistilBERT, and DeBERTa.

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.

This paper explores the potential of recurrent neural networks (RNNs) and other subquadratic architectures as competitive alternatives to transformer-based models in low-resource language modeling scenarios. We utilize HGRN2 (Qin et al., 2024), a recently proposed RNN-based architecture, and comparatively evaluate its effectiveness against transformer-based baselines and other subquadratic architectures (LSTM, xLSTM, Mamba). Our experimental results show that BABYHGRN, our HGRN2 language model, outperforms transformer-based models in both the 10M and 100M word tracks of the challenge, as measured by their performance on the BLiMP, EWoK, GLUE and BEAR benchmarks. Further, we show the positive impact of knowledge distillation. Our findings challenge the prevailing focus on transformer architectures and indicate the viability of RNN-based models, particularly in resource-constrained environments.

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)

This paper describes the approach of the UniBuc - NLP team in tackling the SemEval 2024 Task 8: Multigenerator, Multidomain, and Multilingual Black-Box Machine-Generated Text Detection. We explored transformer-based and hybrid deep learning architectures. For subtask B, our transformer-based model achieved a strong second-place out of 77 teams with an accuracy of 86.95\%, demonstrating the architecture's suitability for this task. However, our models showed overfitting in subtask A which could potentially be fixed with less fine-tunning and increasing maximum sequence length. For subtask C (token-level classification), our hybrid model overfit during training, hindering its ability to detect transitions between human and machine-generated text.

We investigate the capability of a transformer pretrained on natural language to generalize to other modalities with minimal finetuning -- in particular, without finetuning of the self-attention and feedforward layers of the residual blocks. We consider such a model, which we call a Frozen Pretrained Transformer (FPT), and study finetuning it on a variety of sequence classification tasks spanning numerical computation, vision, and protein fold prediction. In contrast to prior works which investigate finetuning on the same modality as the pretraining dataset, we show that pretraining on natural language can improve performance and compute efficiency on non-language downstream tasks. Additionally, we perform an analysis of the architecture, comparing the performance of a random initialized transformer to a random LSTM. Combining the two insights, we find language-pretrained transformers can obtain strong performance on a variety of non-language tasks.

Deep pretrained transformer networks are effective at various ranking tasks, such as question answering and ad-hoc document ranking. However, their computational expenses deem them cost-prohibitive in practice. Our proposed approach, called PreTTR (Precomputing Transformer Term Representations), considerably reduces the query-time latency of deep transformer networks (up to a 42x speedup on web document ranking) making these networks more practical to use in a real-time ranking scenario. Specifically, we precompute part of the document term representations at indexing time (without a query), and merge them with the query representation at query time to compute the final ranking score. Due to the large size of the token representations, we also propose an effective approach to reduce the storage requirement by training a compression layer to match attention scores. Our compression technique reduces the storage required up to 95% and it can be applied without a substantial degradation in ranking performance.

Multi-horizon forecasting problems often contain a complex mix of inputs -- including static (i.e. time-invariant) covariates, known future inputs, and other exogenous time series that are only observed historically -- without any prior information on how they interact with the target. While several deep learning models have been proposed for multi-step prediction, they typically comprise black-box models which do not account for the full range of inputs present in common scenarios. In this paper, we introduce the Temporal Fusion Transformer (TFT) -- a novel attention-based architecture which combines high-performance multi-horizon forecasting with interpretable insights into temporal dynamics. To learn temporal relationships at different scales, the TFT utilizes recurrent layers for local processing and interpretable self-attention layers for learning long-term dependencies. The TFT also uses specialized components for the judicious selection of relevant features and a series of gating layers to suppress unnecessary components, enabling high performance in a wide range of regimes. On a variety of real-world datasets, we demonstrate significant performance improvements over existing benchmarks, and showcase three practical interpretability use-cases of TFT.

We introduce dense vision transformers, an architecture that leverages vision transformers in place of convolutional networks as a backbone for dense prediction tasks. We assemble tokens from various stages of the vision transformer into image-like representations at various resolutions and progressively combine them into full-resolution predictions using a convolutional decoder. The transformer backbone processes representations at a constant and relatively high resolution and has a global receptive field at every stage. These properties allow the dense vision transformer to provide finer-grained and more globally coherent predictions when compared to fully-convolutional networks. Our experiments show that this architecture yields substantial improvements on dense prediction tasks, especially when a large amount of training data is available. For monocular depth estimation, we observe an improvement of up to 28% in relative performance when compared to a state-of-the-art fully-convolutional network. When applied to semantic segmentation, dense vision transformers set a new state of the art on ADE20K with 49.02% mIoU. We further show that the architecture can be fine-tuned on smaller datasets such as NYUv2, KITTI, and Pascal Context where it also sets the new state of the art. Our models are available at https://github.com/intel-isl/DPT.

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.

Transformers, which were originally developed for natural language processing, have recently generated significant interest in the computer vision and audio communities due to their flexibility in learning long-range relationships. Constrained by the data hungry nature of transformers and the limited amount of labelled data, most transformer-based models for audio tasks are finetuned from ImageNet pretrained models, despite the huge gap between the domain of natural images and audio. This has motivated the research in self-supervised pretraining of audio transformers, which reduces the dependency on large amounts of labeled data and focuses on extracting concise representations of audio spectrograms. In this paper, we propose Local-Global Audio Spectrogram vIsion Transformer, namely ASiT, a novel self-supervised learning framework that captures local and global contextual information by employing group masked model learning and self-distillation. We evaluate our pretrained models on both audio and speech classification tasks, including audio event classification, keyword spotting, and speaker identification. We further conduct comprehensive ablation studies, including evaluations of different pretraining strategies. The proposed ASiT framework significantly boosts the performance on all tasks and sets a new state-of-the-art performance in five audio and speech classification tasks, outperforming recent methods, including the approaches that use additional datasets for pretraining.

Transformers have become an indispensable module for text generation models since their great success in machine translation. Previous works attribute the~success of transformers to the query-key-value dot-product attention, which provides a robust inductive bias by the fully connected token graphs. However, we found that self-attention has a severe limitation. When predicting the (i+1)-th token, self-attention only takes the i-th token as an information collector, and it tends to give a high attention weight to those tokens similar to itself. Therefore, most of the historical information that occurred before the i-th token is not taken into consideration. Based on this observation, in this paper, we propose a new architecture, called bird-eye transformer(BET), which goes one step further to improve the performance of transformers by reweighting self-attention to encourage it to focus more on important historical information. We have conducted experiments on multiple text generation tasks, including machine translation (2 datasets) and language models (3 datasets). These experimental~results show that our proposed model achieves a better performance than the baseline transformer architectures on~all~datasets. The code is released at: https://sites.google.com/view/bet-transformer/home.

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%.

A big convergence of model architectures across language, vision, speech, and multimodal is emerging. However, under the same name "Transformers", the above areas use different implementations for better performance, e.g., Post-LayerNorm for BERT, and Pre-LayerNorm for GPT and vision Transformers. We call for the development of Foundation Transformer for true general-purpose modeling, which serves as a go-to architecture for various tasks and modalities with guaranteed training stability. In this work, we introduce a Transformer variant, named Magneto, to fulfill the goal. Specifically, we propose Sub-LayerNorm for good expressivity, and the initialization strategy theoretically derived from DeepNet for stable scaling up. Extensive experiments demonstrate its superior performance and better stability than the de facto Transformer variants designed for various applications, including language modeling (i.e., BERT, and GPT), machine translation, vision pretraining (i.e., BEiT), speech recognition, and multimodal pretraining (i.e., BEiT-3).

Transformers have become one of the most important architectural innovations in deep learning and have enabled many breakthroughs over the past few years. Here we propose a simple network architecture, gMLP, based on MLPs with gating, and show that it can perform as well as Transformers in key language and vision applications. Our comparisons show that self-attention is not critical for Vision Transformers, as gMLP can achieve the same accuracy. For BERT, our model achieves parity with Transformers on pretraining perplexity and is better on some downstream NLP tasks. On finetuning tasks where gMLP performs worse, making the gMLP model substantially larger can close the gap with Transformers. In general, our experiments show that gMLP can scale as well as Transformers over increased data and compute.

Differentiable architecture search (DARTS) is successfully applied in many vision tasks. However, directly using DARTS for Transformers is memory-intensive, which renders the search process infeasible. To this end, we propose a multi-split reversible network and combine it with DARTS. Specifically, we devise a backpropagation-with-reconstruction algorithm so that we only need to store the last layer's outputs. By relieving the memory burden for DARTS, it allows us to search with larger hidden size and more candidate operations. We evaluate the searched architecture on three sequence-to-sequence datasets, i.e., WMT'14 English-German, WMT'14 English-French, and WMT'14 English-Czech. Experimental results show that our network consistently outperforms standard Transformers across the tasks. Moreover, our method compares favorably with big-size Evolved Transformers, reducing search computation by an order of magnitude.

Transformers have a potential of learning longer-term dependency, but are limited by a fixed-length context in the setting of language modeling. We propose a novel neural architecture Transformer-XL that enables learning dependency beyond a fixed length without disrupting temporal coherence. It consists of a segment-level recurrence mechanism and a novel positional encoding scheme. Our method not only enables capturing longer-term dependency, but also resolves the context fragmentation problem. As a result, Transformer-XL learns dependency that is 80% longer than RNNs and 450% longer than vanilla Transformers, achieves better performance on both short and long sequences, and is up to 1,800+ times faster than vanilla Transformers during evaluation. Notably, we improve the state-of-the-art results of bpc/perplexity to 0.99 on enwiki8, 1.08 on text8, 18.3 on WikiText-103, 21.8 on One Billion Word, and 54.5 on Penn Treebank (without finetuning). When trained only on WikiText-103, Transformer-XL manages to generate reasonably coherent, novel text articles with thousands of tokens. Our code, pretrained models, and hyperparameters are available in both Tensorflow and PyTorch.

After their initial success in natural language processing, transformer architectures have rapidly gained traction in computer vision, providing state-of-the-art results for tasks such as image classification, detection, segmentation, and video analysis. We offer three insights based on simple and easy to implement variants of vision transformers. (1) The residual layers of vision transformers, which are usually processed sequentially, can to some extent be processed efficiently in parallel without noticeably affecting the accuracy. (2) Fine-tuning the weights of the attention layers is sufficient to adapt vision transformers to a higher resolution and to other classification tasks. This saves compute, reduces the peak memory consumption at fine-tuning time, and allows sharing the majority of weights across tasks. (3) Adding MLP-based patch pre-processing layers improves Bert-like self-supervised training based on patch masking. We evaluate the impact of these design choices using the ImageNet-1k dataset, and confirm our findings on the ImageNet-v2 test set. Transfer performance is measured across six smaller datasets.

Transformers are central to recent successes in natural language processing and computer vision. Transformers have a mostly uniform backbone where layers alternate between feed-forward and self-attention in order to build a deep network. Here we investigate this design choice and find that more complex blocks that have different permutations of layer primitives can be more efficient. Using this insight, we develop a complex block, named Brainformer, that consists of a diverse sets of layers such as sparsely gated feed-forward layers, dense feed-forward layers, attention layers, and various forms of layer normalization and activation functions. Brainformer consistently outperforms the state-of-the-art dense and sparse Transformers, in terms of both quality and efficiency. A Brainformer model with 8 billion activated parameters per token demonstrates 2x faster training convergence and 5x faster step time compared to its GLaM counterpart. In downstream task evaluation, Brainformer also demonstrates a 3% higher SuperGLUE score with fine-tuning compared to GLaM with a similar number of activated parameters. Finally, Brainformer largely outperforms a Primer dense model derived with NAS with similar computation per token on fewshot evaluations.

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 have become one of the dominant architectures in deep learning, particularly as a powerful alternative to convolutional neural networks (CNNs) in computer vision. However, Transformer training and inference in previous works can be prohibitively expensive due to the quadratic complexity of self-attention over a long sequence of representations, especially for high-resolution dense prediction tasks. To this end, we present a novel Less attention vIsion Transformer (LIT), building upon the fact that the early self-attention layers in Transformers still focus on local patterns and bring minor benefits in recent hierarchical vision Transformers. Specifically, we propose a hierarchical Transformer where we use pure multi-layer perceptrons (MLPs) to encode rich local patterns in the early stages while applying self-attention modules to capture longer dependencies in deeper layers. Moreover, we further propose a learned deformable token merging module to adaptively fuse informative patches in a non-uniform manner. The proposed LIT achieves promising performance on image recognition tasks, including image classification, object detection and instance segmentation, serving as a strong backbone for many vision tasks. Code is available at: https://github.com/zhuang-group/LIT

Transformers have become the de-facto standard model in artificial intelligence since 2017 despite numerous shortcomings ranging from energy inefficiency to hallucinations. Research has made a lot of progress in improving elements of transformers, and, more generally, deep learning manifesting in many proposals for architectures, layers, optimization objectives, and optimization techniques. For researchers it is difficult to keep track of such developments on a broader level. We provide a comprehensive overview of the many important, recent works in these areas to those who already have a basic understanding of deep learning. Our focus differs from other works, as we target specifically novel, alternative potentially disruptive approaches to transformers as well as successful ideas of recent deep learning. We hope that such a holistic and unified treatment of influential, recent works and novel ideas helps researchers to form new connections between diverse areas of deep learning. We identify and discuss multiple patterns that summarize the key strategies for successful innovations over the last decade as well as works that can be seen as rising stars. Especially, we discuss attempts on how to improve on transformers covering (partially) proven methods such as state space models but also including far-out ideas in deep learning that seem promising despite not achieving state-of-the-art results. We also cover a discussion on recent state-of-the-art models such as OpenAI's GPT series and Meta's LLama models and, Google's Gemini model family.

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 with linear attention (i.e., linear transformers) and state-space models have recently been suggested as a viable linear-time alternative to transformers with softmax attention. However, these models still underperform transformers especially on tasks that require in-context retrieval. While more expressive variants of linear transformers which replace the additive outer-product update in linear transformers with the delta rule have been found to be more effective at associative recall, existing algorithms for training such models do not parallelize over sequence length and are thus inefficient to train on modern hardware. This work describes a hardware-efficient algorithm for training linear transformers with the delta rule, which exploits a memory-efficient representation for computing products of Householder matrices. This algorithm allows us to scale up DeltaNet to standard language modeling settings. We train a 1.3B model for 100B tokens and find that it outperforms recent linear-time baselines such as Mamba and GLA in terms of perplexity and zero-shot performance on downstream tasks (including on tasks that focus on recall). We also experiment with two hybrid models which combine DeltaNet layers with (1) sliding-window attention layers every other layer or (2) two global attention layers, and find that these hybrid models outperform strong transformer baselines.

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.

Transformers have gained increasing popularity in a wide range of applications, including Natural Language Processing (NLP), Computer Vision and Speech Recognition, because of their powerful representational capacity. However, harnessing this representational capacity effectively requires a large amount of data, strong regularization, or both, to mitigate overfitting. Recently, the power of the Transformer has been unlocked by self-supervised pretraining strategies based on masked autoencoders which rely on reconstructing masked inputs, directly, or contrastively from unmasked content. This pretraining strategy which has been used in BERT models in NLP, Wav2Vec models in Speech and, recently, in MAE models in Vision, forces the model to learn about relationships between the content in different parts of the input using autoencoding related objectives. In this paper, we propose a novel, but surprisingly simple alternative to content reconstruction~-- that of predicting locations from content, without providing positional information for it. Doing so requires the Transformer to understand the positional relationships between different parts of the input, from their content alone. This amounts to an efficient implementation where the pretext task is a classification problem among all possible positions for each input token. We experiment on both Vision and Speech benchmarks, where our approach brings improvements over strong supervised training baselines and is comparable to modern unsupervised/self-supervised pretraining methods. Our method also enables Transformers trained without position embeddings to outperform ones trained with full position information.

Transformer-based models dominate NLP tasks like sentiment analysis, machine translation, and claim verification. However, their massive computational demands and lack of interpretability pose challenges for real-world applications requiring efficiency and transparency. In this work, we explore Graph Neural Networks (GNNs) and Hyperbolic Graph Neural Networks (HGNNs) as lightweight yet effective alternatives for Environmental Claim Detection, reframing it as a graph classification problem. We construct dependency parsing graphs to explicitly model syntactic structures, using simple word embeddings (word2vec) for node features with dependency relations encoded as edge features. Our results demonstrate that these graph-based models achieve comparable or superior performance to state-of-the-art transformers while using 30x fewer parameters. This efficiency highlights the potential of structured, interpretable, and computationally efficient graph-based approaches.

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the computational feasibility of the global attention mechanism is possible. The next goal is to scale up these architectures to handle very large graphs on the scale of millions or even billions of nodes. With large-scale graphs, global attention learning is proven impractical due to its quadratic complexity w.r.t. the number of nodes. On the other hand, neighborhood sampling techniques become essential to manage large graph sizes, yet finding the optimal trade-off between speed and accuracy with sampling techniques remains challenging. This work advances representation learning on single large-scale graphs with a focus on identifying model characteristics and critical design constraints for developing scalable graph transformer (GT) architectures. We argue such GT requires layers that can adeptly learn both local and global graph representations while swiftly sampling the graph topology. As such, a key innovation of this work lies in the creation of a fast neighborhood sampling technique coupled with a local attention mechanism that encompasses a 4-hop reception field, but achieved through just 2-hop operations. This local node embedding is then integrated with a global node embedding, acquired via another self-attention layer with an approximate global codebook, before finally sent through a downstream layer for node predictions. The proposed GT framework, named LargeGT, overcomes previous computational bottlenecks and is validated on three large-scale node classification benchmarks. We report a 3x speedup and 16.8% performance gain on ogbn-products and snap-patents, while we also scale LargeGT on ogbn-papers100M with a 5.9% performance improvement.

The Transformer-based model have made significant strides in semantic matching tasks by capturing connections between phrase pairs. However, to assess the relevance of sentence pairs, it is insufficient to just examine the general similarity between the sentences. It is crucial to also consider the tiny subtleties that differentiate them from each other. Regrettably, attention softmax operations in transformers tend to miss these subtle differences. To this end, in this work, we propose a novel semantic sentence matching model named Combined Attention Network based on Transformer model (Comateformer). In Comateformer model, we design a novel transformer-based quasi-attention mechanism with compositional properties. Unlike traditional attention mechanisms that merely adjust the weights of input tokens, our proposed method learns how to combine, subtract, or resize specific vectors when building a representation. Moreover, our proposed approach builds on the intuition of similarity and dissimilarity (negative affinity) when calculating dual affinity scores. This allows for a more meaningful representation of relationships between sentences. To evaluate the performance of our proposed model, we conducted extensive experiments on ten public real-world datasets and robustness testing. Experimental results show that our method achieves consistent improvements.

Recently, there has been a surge of Transformer-based solutions for the long-term time series forecasting (LTSF) task. Despite the growing performance over the past few years, we question the validity of this line of research in this work. Specifically, Transformers is arguably the most successful solution to extract the semantic correlations among the elements in a long sequence. However, in time series modeling, we are to extract the temporal relations in an ordered set of continuous points. While employing positional encoding and using tokens to embed sub-series in Transformers facilitate preserving some ordering information, the nature of the permutation-invariant self-attention mechanism inevitably results in temporal information loss. To validate our claim, we introduce a set of embarrassingly simple one-layer linear models named LTSF-Linear for comparison. Experimental results on nine real-life datasets show that LTSF-Linear surprisingly outperforms existing sophisticated Transformer-based LTSF models in all cases, and often by a large margin. Moreover, we conduct comprehensive empirical studies to explore the impacts of various design elements of LTSF models on their temporal relation extraction capability. We hope this surprising finding opens up new research directions for the LTSF task. We also advocate revisiting the validity of Transformer-based solutions for other time series analysis tasks (e.g., anomaly detection) in the future. Code is available at: https://github.com/cure-lab/LTSF-Linear.

Large transformer-based language models have been shown to be very effective in many classification tasks. However, their computational complexity prevents their use in applications requiring the classification of a large set of candidates. While previous works have investigated approaches to reduce model size, relatively little attention has been paid to techniques to improve batch throughput during inference. In this paper, we introduce the Cascade Transformer, a simple yet effective technique to adapt transformer-based models into a cascade of rankers. Each ranker is used to prune a subset of candidates in a batch, thus dramatically increasing throughput at inference time. Partial encodings from the transformer model are shared among rerankers, providing further speed-up. When compared to a state-of-the-art transformer model, our approach reduces computation by 37% with almost no impact on accuracy, as measured on two English Question Answering datasets.

Decoder-only transformer networks have become incredibly popular for language modeling tasks. State-of-the-art models can have over a hundred transformer blocks, containing billions of trainable parameters, and are trained on trillions of tokens of text. Each transformer block typically consists of a multi-head attention (MHA) mechanism and a two-layer fully connected feedforward network (FFN). In this paper, we examine the importance of the FFN during the model pre-training process through a series of experiments, confirming that the FFN is important to model performance. Furthermore, we show that models using a transformer block configuration with three-layer FFNs with fewer such blocks outperform the standard two-layer configuration delivering lower training loss with fewer total parameters in less time.

In this work we propose for the first time a transformer-based framework for unsupervised representation learning of multivariate time series. Pre-trained models can be potentially used for downstream tasks such as regression and classification, forecasting and missing value imputation. By evaluating our models on several benchmark datasets for multivariate time series regression and classification, we show that not only does our modeling approach represent the most successful method employing unsupervised learning of multivariate time series presented to date, but also that it exceeds the current state-of-the-art performance of supervised methods; it does so even when the number of training samples is very limited, while offering computational efficiency. Finally, we demonstrate that unsupervised pre-training of our transformer models offers a substantial performance benefit over fully supervised learning, even without leveraging additional unlabeled data, i.e., by reusing the same data samples through the unsupervised objective.

Transformer-based models have achieved great success in various NLP, vision, and speech tasks. However, the core of Transformer, the self-attention mechanism, has a quadratic time and memory complexity with respect to the sequence length, which hinders applications of Transformer-based models to long sequences. Many approaches have been proposed to mitigate this problem, such as sparse attention mechanisms, low-rank matrix approximations and scalable kernels, and token mixing alternatives to self-attention. We propose a novel Pooling Network (PoNet) for token mixing in long sequences with linear complexity. We design multi-granularity pooling and pooling fusion to capture different levels of contextual information and combine their interactions with tokens. On the Long Range Arena benchmark, PoNet significantly outperforms Transformer and achieves competitive accuracy, while being only slightly slower than the fastest model, FNet, across all sequence lengths measured on GPUs. We also conduct systematic studies on the transfer learning capability of PoNet and observe that PoNet achieves 95.7% of the accuracy of BERT on the GLUE benchmark, outperforming FNet by 4.5% relative. Comprehensive ablation analysis demonstrates effectiveness of the designed multi-granularity pooling and pooling fusion for token mixing in long sequences and efficacy of the designed pre-training tasks for PoNet to learn transferable contextualized language representations.

The Transformer architecture has two main non-embedding components: Attention and the Feed Forward Network (FFN). Attention captures interdependencies between words regardless of their position, while the FFN non-linearly transforms each input token independently. In this work we explore the role of the FFN, and find that despite taking up a significant fraction of the model's parameters, it is highly redundant. Concretely, we are able to substantially reduce the number of parameters with only a modest drop in accuracy by removing the FFN on the decoder layers and sharing a single FFN across the encoder. Finally we scale this architecture back to its original size by increasing the hidden dimension of the shared FFN, achieving substantial gains in both accuracy and latency with respect to the original Transformer Big.

Attention based language models have become a critical component in state-of-the-art natural language processing systems. However, these models have significant computational requirements, due to long training times, dense operations and large parameter count. In this work we demonstrate a set of modifications to the structure of a Transformer layer, producing a more efficient architecture. First, we add a convolutional module to complement the self-attention module, decoupling the learning of local and global interactions. Secondly, we rely on grouped transformations to reduce the computational cost of dense feed-forward layers and convolutions, while preserving the expressivity of the model. We apply the resulting architecture to language representation learning and demonstrate its superior performance compared to BERT models of different scales. We further highlight its improved efficiency, both in terms of floating-point operations (FLOPs) and time-to-train.

The increasing size of large language models has posed challenges for deployment and raised concerns about environmental impact due to high energy consumption. In this work, we introduce BitNet, a scalable and stable 1-bit Transformer architecture designed for large language models. Specifically, we introduce BitLinear as a drop-in replacement of the nn.Linear layer in order to train 1-bit weights from scratch. Experimental results on language modeling show that BitNet achieves competitive performance while substantially reducing memory footprint and energy consumption, compared to state-of-the-art 8-bit quantization methods and FP16 Transformer baselines. Furthermore, BitNet exhibits a scaling law akin to full-precision Transformers, suggesting its potential for effective scaling to even larger language models while maintaining efficiency and performance benefits.

Transformers and their derivatives have achieved state-of-the-art performance across text, vision, and speech recognition tasks. However, minimal effort has been made to train transformers capable of evaluating the output quality of other models. This paper examines SwinV2-based reward models, called the Input-Output Transformer (IO Transformer) and the Output Transformer. These reward models can be leveraged for tasks such as inference quality evaluation, data categorization, and policy optimization. Our experiments demonstrate highly accurate model output quality assessment across domains where the output is entirely dependent on the input, with the IO Transformer achieving perfect evaluation accuracy on the Change Dataset 25 (CD25). We also explore modified Swin V2 architectures. Ultimately Swin V2 remains on top with a score of 95.41 % on the IO Segmentation Dataset, outperforming the IO Transformer in scenarios where the output is not entirely dependent on the input. Our work expands the application of transformer architectures to reward modeling in computer vision and provides critical insights into optimizing these models for various tasks.

While the Transformer architecture has become the de-facto standard for natural language processing tasks, its applications to computer vision remain limited. In vision, attention is either applied in conjunction with convolutional networks, or used to replace certain components of convolutional networks while keeping their overall structure in place. We show that this reliance on CNNs is not necessary and a pure transformer applied directly to sequences of image patches can perform very well on image classification tasks. When pre-trained on large amounts of data and transferred to multiple mid-sized or small image recognition benchmarks (ImageNet, CIFAR-100, VTAB, etc.), Vision Transformer (ViT) attains excellent results compared to state-of-the-art convolutional networks while requiring substantially fewer computational resources to train.

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.

What is the computational model behind a Transformer? Where recurrent neural networks have direct parallels in finite state machines, allowing clear discussion and thought around architecture variants or trained models, Transformers have no such familiar parallel. In this paper we aim to change that, proposing a computational model for the transformer-encoder in the form of a programming language. We map the basic components of a transformer-encoder -- attention and feed-forward computation -- into simple primitives, around which we form a programming language: the Restricted Access Sequence Processing Language (RASP). We show how RASP can be used to program solutions to tasks that could conceivably be learned by a Transformer, and how a Transformer can be trained to mimic a RASP solution. In particular, we provide RASP programs for histograms, sorting, and Dyck-languages. We further use our model to relate their difficulty in terms of the number of required layers and attention heads: analyzing a RASP program implies a maximum number of heads and layers necessary to encode a task in a transformer. Finally, we see how insights gained from our abstraction might be used to explain phenomena seen in recent works.

The use of deep pre-trained bidirectional transformers has led to remarkable progress in a number of applications (Devlin et al., 2018). For tasks that make pairwise comparisons between sequences, matching a given input with a corresponding label, two approaches are common: Cross-encoders performing full self-attention over the pair and Bi-encoders encoding the pair separately. The former often performs better, but is too slow for practical use. In this work, we develop a new transformer architecture, the Poly-encoder, that learns global rather than token level self-attention features. We perform a detailed comparison of all three approaches, including what pre-training and fine-tuning strategies work best. We show our models achieve state-of-the-art results on three existing tasks; that Poly-encoders are faster than Cross-encoders and more accurate than Bi-encoders; and that the best results are obtained by pre-training on large datasets similar to the downstream tasks.

Deep learning-based and lately Transformer-based language models have been dominating the studies of natural language processing in the last years. Thanks to their accurate and fast fine-tuning characteristics, they have outperformed traditional machine learning-based approaches and achieved state-of-the-art results for many challenging natural language understanding (NLU) problems. Recent studies showed that the Transformer-based models such as BERT, which is Bidirectional Encoder Representations from Transformers, have reached impressive achievements on many tasks. Moreover, thanks to their transfer learning capacity, these architectures allow us to transfer pre-built models and fine-tune them to specific NLU tasks such as question answering. In this study, we provide a Transformer-based model and a baseline benchmark for the Turkish Language. We successfully fine-tuned a Turkish BERT model, namely BERTurk that is trained with base settings, to many downstream tasks and evaluated with a the Turkish Benchmark dataset. We showed that our studies significantly outperformed other existing baseline approaches for Named-Entity Recognition, Sentiment Analysis, Question Answering and Text Classification in Turkish Language. We publicly released these four fine-tuned models and resources in reproducibility and with the view of supporting other Turkish researchers and applications.

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.

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.

Transformers have been widely applied in text classification. Unfortunately, real-world data contain anomalies and noisy labels that cause challenges for state-of-art Transformers. This paper proposes Protoformer, a novel self-learning framework for Transformers that can leverage problematic samples for text classification. Protoformer features a selection mechanism for embedding samples that allows us to efficiently extract and utilize anomalies prototypes and difficult class prototypes. We demonstrated such capabilities on datasets with diverse textual structures (e.g., Twitter, IMDB, ArXiv). We also applied the framework to several models. The results indicate that Protoformer can improve current Transformers in various empirical settings.

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

We introduce a hierarchical filtering procedure for generative models of sequences on trees, enabling control over the range of positional correlations in the data. Leveraging this controlled setting, we provide evidence that vanilla encoder-only transformer architectures can implement the optimal Belief Propagation algorithm on both root classification and masked language modeling tasks. Correlations at larger distances corresponding to increasing layers of the hierarchy are sequentially included as the network is trained. We analyze how the transformer layers succeed by focusing on attention maps from models trained with varying degrees of filtering. These attention maps show clear evidence for iterative hierarchical reconstruction of correlations, and we can relate these observations to a plausible implementation of the exact inference algorithm for the network sizes considered.

Transformer-based language models (LMs) create hidden representations of their inputs at every layer, but only use final-layer representations for prediction. This obscures the internal decision-making process of the model and the utility of its intermediate representations. One way to elucidate this is to cast the hidden representations as final representations, bypassing the transformer computation in-between. In this work, we suggest a simple method for such casting, by using linear transformations. We show that our approach produces more accurate approximations than the prevailing practice of inspecting hidden representations from all layers in the space of the final layer. Moreover, in the context of language modeling, our method allows "peeking" into early layer representations of GPT-2 and BERT, showing that often LMs already predict the final output in early layers. We then demonstrate the practicality of our method to recent early exit strategies, showing that when aiming, for example, at retention of 95% accuracy, our approach saves additional 7.9% layers for GPT-2 and 5.4% layers for BERT, on top of the savings of the original approach. Last, we extend our method to linearly approximate sub-modules, finding that attention is most tolerant to this change.

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.

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

Recent efforts have been dedicated to enhancing time series forecasting accuracy by introducing advanced network architectures and self-supervised pretraining strategies. Nevertheless, existing approaches still exhibit two critical drawbacks. Firstly, these methods often rely on a single dataset for training, limiting the model's generalizability due to the restricted scale of the training data. Secondly, the one-step generation schema is widely followed, which necessitates a customized forecasting head and overlooks the temporal dependencies in the output series, and also leads to increased training costs under different horizon length settings. To address these issues, we propose a novel generative pretrained hierarchical transformer architecture for forecasting, named GPHT. There are two aspects of key designs in GPHT. On the one hand, we advocate for constructing a mixed dataset for pretraining our model, comprising various datasets from diverse data scenarios. This approach significantly expands the scale of training data, allowing our model to uncover commonalities in time series data and facilitating improved transfer to specific datasets. On the other hand, GPHT employs an auto-regressive forecasting approach under the channel-independent assumption, effectively modeling temporal dependencies in the output series. Importantly, no customized forecasting head is required, enabling a single model to forecast at arbitrary horizon settings. We conduct sufficient experiments on eight datasets with mainstream self-supervised pretraining models and supervised models. The results demonstrated that GPHT surpasses the baseline models across various fine-tuning and zero/few-shot learning settings in the traditional long-term forecasting task, providing support for verifying the feasibility of pretrained time series large models.

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.

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.

Recently Transformer and Convolution neural network (CNN) based models have shown promising results in Automatic Speech Recognition (ASR), outperforming Recurrent neural networks (RNNs). Transformer models are good at capturing content-based global interactions, while CNNs exploit local features effectively. In this work, we achieve the best of both worlds by studying how to combine convolution neural networks and transformers to model both local and global dependencies of an audio sequence in a parameter-efficient way. To this regard, we propose the convolution-augmented transformer for speech recognition, named Conformer. Conformer significantly outperforms the previous Transformer and CNN based models achieving state-of-the-art accuracies. On the widely used LibriSpeech benchmark, our model achieves WER of 2.1%/4.3% without using a language model and 1.9%/3.9% with an external language model on test/testother. We also observe competitive performance of 2.7%/6.3% with a small model of only 10M parameters.

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.

We present a novel usage of Transformers to make image classification interpretable. Unlike mainstream classifiers that wait until the last fully-connected layer to incorporate class information to make predictions, we investigate a proactive approach, asking each class to search for itself in an image. We realize this idea via a Transformer encoder-decoder inspired by DEtection TRansformer (DETR). We learn ``class-specific'' queries (one for each class) as input to the decoder, enabling each class to localize its patterns in an image via cross-attention. We name our approach INterpretable TRansformer (INTR), which is fairly easy to implement and exhibits several compelling properties. We show that INTR intrinsically encourages each class to attend distinctively; the cross-attention weights thus provide a faithful interpretation of the prediction. Interestingly, via ``multi-head'' cross-attention, INTR could identify different ``attributes'' of a class, making it particularly suitable for fine-grained classification and analysis, which we demonstrate on eight datasets. Our code and pre-trained model are publicly accessible at https://github.com/Imageomics/INTR.

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.

With the tremendous success of large transformer models in natural language understanding, down-sizing them for cost-effective deployments has become critical. Recent studies have explored the low-rank weight factorization techniques which are efficient to train, and apply out-of-the-box to any transformer architecture. Unfortunately, the low-rank assumption tends to be over-restrictive and hinders the expressiveness of the compressed model. This paper proposes, DSFormer, a simple alternative factorization scheme which expresses a target weight matrix as the product of a small dense and a semi-structured sparse matrix. The resulting approximation is more faithful to the weight distribution in transformers and therefore achieves a stronger efficiency-accuracy trade-off. Another concern with existing factorizers is their dependence on a task-unaware initialization step which degrades the accuracy of the resulting model. DSFormer addresses this issue through a novel Straight-Through Factorizer (STF) algorithm that jointly learns all the weight factorizations to directly maximize the final task accuracy. Extensive experiments on multiple natural language understanding benchmarks demonstrate that DSFormer obtains up to 40% better compression than the state-of-the-art low-rank factorizers, leading semi-structured sparsity baselines and popular knowledge distillation approaches. Our approach is also orthogonal to mainstream compressors and offers up to 50% additional compression when added to popular distilled, layer-shared and quantized transformers. We empirically evaluate the benefits of STF over conventional optimization practices.

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

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.

Large language models based on transformers have achieved great empirical successes. However, as they are deployed more widely, there is a growing need to better understand their internal mechanisms in order to make them more reliable. These models appear to store vast amounts of knowledge from their training data, and to adapt quickly to new information provided in their context or prompt. We study how transformers balance these two types of knowledge by considering a synthetic setup where tokens are generated from either global or context-specific bigram distributions. By a careful empirical analysis of the training process on a simplified two-layer transformer, we illustrate the fast learning of global bigrams and the slower development of an "induction head" mechanism for the in-context bigrams. We highlight the role of weight matrices as associative memories, provide theoretical insights on how gradients enable their learning during training, and study the role of data-distributional properties.

Recent research has demonstrated that transformers, particularly linear attention models, implicitly execute gradient-descent-like algorithms on data provided in-context during their forward inference step. However, their capability in handling more complex problems remains unexplored. In this paper, we prove that any linear transformer maintains an implicit linear model and can be interpreted as performing a variant of preconditioned gradient descent. We also investigate the use of linear transformers in a challenging scenario where the training data is corrupted with different levels of noise. Remarkably, we demonstrate that for this problem linear transformers discover an intricate and highly effective optimization algorithm, surpassing or matching in performance many reasonable baselines. We reverse-engineer this algorithm and show that it is a novel approach incorporating momentum and adaptive rescaling based on noise levels. Our findings show that even linear transformers possess the surprising ability to discover sophisticated optimization strategies.

Search is an ability foundational in many important tasks, and recent studies have shown that large language models (LLMs) struggle to perform search robustly. It is unknown whether this inability is due to a lack of data, insufficient model parameters, or fundamental limitations of the transformer architecture. In this work, we use the foundational graph connectivity problem as a testbed to generate effectively limitless high-coverage data to train small transformers and test whether they can learn to perform search. We find that, when given the right training distribution, the transformer is able to learn to search. We analyze the algorithm that the transformer has learned through a novel mechanistic interpretability technique that enables us to extract the computation graph from the trained model. We find that for each vertex in the input graph, transformers compute the set of vertices reachable from that vertex. Each layer then progressively expands these sets, allowing the model to search over a number of vertices exponential in the number of layers. However, we find that as the input graph size increases, the transformer has greater difficulty in learning the task. This difficulty is not resolved even as the number of parameters is increased, suggesting that increasing model scale will not lead to robust search abilities. We also find that performing search in-context (i.e., chain-of-thought) does not resolve this inability to learn to search on larger graphs.

Transformers have achieved great success in many artificial intelligence fields, such as natural language processing, computer vision, and audio processing. Therefore, it is natural to attract lots of interest from academic and industry researchers. Up to the present, a great variety of Transformer variants (a.k.a. X-formers) have been proposed, however, a systematic and comprehensive literature review on these Transformer variants is still missing. In this survey, we provide a comprehensive review of various X-formers. We first briefly introduce the vanilla Transformer and then propose a new taxonomy of X-formers. Next, we introduce the various X-formers from three perspectives: architectural modification, pre-training, and applications. Finally, we outline some potential directions for future research.

Transformers have demonstrated effectiveness in in-context solving data-fitting problems from various (latent) models, as reported by Garg et al. However, the absence of an inherent iterative structure in the transformer architecture presents a challenge in emulating the iterative algorithms, which are commonly employed in traditional machine learning methods. To address this, we propose the utilization of looped transformer architecture and its associated training methodology, with the aim of incorporating iterative characteristics into the transformer architectures. Experimental results suggest that the looped transformer achieves performance comparable to the standard transformer in solving various data-fitting problems, while utilizing less than 10\% of the parameter count.

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.

Recent works suggest that transformer models are capable of multi-tasking on diverse NLP tasks and adapting to new tasks efficiently. However, the potential of these multi-task models may be limited as they use the same set of parameters for all tasks. In contrast, humans tackle tasks in a more flexible way, by making proper presumptions on what skills and knowledge are relevant and executing only the necessary computations. Inspired by this, we propose to use task-level mixture-of-expert models, which has a collection of transformer layers (i.e., experts) and a router component that chooses from these experts dynamically and flexibly. We find that these models help improve the average performance gain (ARG) metric by 2.6% when adapting to unseen tasks in the few-shot setting and by 5.6% in the zero-shot generalization setting. Further, we show that the learned routing decisions partly rediscover human categorization of NLP tasks -- certain experts are strongly associated with extractive tasks, some with classification tasks, and some with tasks requiring world knowledge.

Causal decoder-only transformer models used for generative language modelling, such as Generative Pre-trained Transformers (GPT), are trained to predict the next token in a sequence based only on its previous tokens. Despite this simple training objective, they have proved to be powerful AI tools. However, only predicting the next token results in top layer embedding vectors that are highly token-focused. There may be benefits in generating embedding vectors at each token position that better capture the overall meaning of longer sequences of future text. Recent studies matching brain scans with deep language models suggest that humans also predict upcoming words when listening or reading but consider multiple future tokens rather than just one. This research investigates a new pretraining method called Future Token Prediction (FTP). In FTP, a large transformer encoder generates top layer embedding vectors for each token position, which, instead of being passed to a language head, are linearly and expansively projected to a pseudo-sequence, which is cross attended to by a small transformer decoder to predict the next N tokens forward from that position in the sequence. The top layer embedding vectors from FTP models exhibit distinct properties compared to those from standard GPT models, varying smoothly along a text sequence as measured by cosine similarity between adjacent tokens. Text generated by FTP models show improved topic coherence compared to standard GPT-like models trained with the same prediction perplexity for the next single token. The vectors are shown to better represent the topic of text based on the results of text classification examples. On a toy, but complex, coding problem, FTP networks produce significantly better results than GPT networks.

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.

The recent success of Transformer in natural language processing has sparked its use in various domains. In offline reinforcement learning (RL), Decision Transformer (DT) is emerging as a promising model based on Transformer. However, we discovered that the attention module of DT is not appropriate to capture the inherent local dependence pattern in trajectories of RL modeled as a Markov decision process. To overcome the limitations of DT, we propose a novel action sequence predictor, named Decision ConvFormer (DC), based on the architecture of MetaFormer, which is a general structure to process multiple entities in parallel and understand the interrelationship among the multiple entities. DC employs local convolution filtering as the token mixer and can effectively capture the inherent local associations of the RL dataset. In extensive experiments, DC achieved state-of-the-art performance across various standard RL benchmarks while requiring fewer resources. Furthermore, we show that DC better understands the underlying meaning in data and exhibits enhanced generalization capability.

One of the predominant methods for training world models is autoregressive prediction in the output space of the next element of a sequence. In Natural Language Processing (NLP), this takes the form of Large Language Models (LLMs) predicting the next token; in Computer Vision (CV), this takes the form of autoregressive models predicting the next frame/token/pixel. However, this approach differs from human cognition in several respects. First, human predictions about the future actively influence internal cognitive processes. Second, humans naturally evaluate the plausibility of predictions regarding future states. Based on this capability, and third, by assessing when predictions are sufficient, humans allocate a dynamic amount of time to make a prediction. This adaptive process is analogous to System 2 thinking in psychology. All these capabilities are fundamental to the success of humans at high-level reasoning and planning. Therefore, to address the limitations of traditional autoregressive models lacking these human-like capabilities, we introduce Energy-Based World Models (EBWM). EBWM involves training an Energy-Based Model (EBM) to predict the compatibility of a given context and a predicted future state. In doing so, EBWM enables models to achieve all three facets of human cognition described. Moreover, we developed a variant of the traditional autoregressive transformer tailored for Energy-Based models, termed the Energy-Based Transformer (EBT). Our results demonstrate that EBWM scales better with data and GPU Hours than traditional autoregressive transformers in CV, and that EBWM offers promising early scaling in NLP. Consequently, this approach offers an exciting path toward training future models capable of System 2 thinking and intelligently searching across state spaces.

Transformer models are revolutionizing machine learning, but their inner workings remain mysterious. In this work, we present a new visualization technique designed to help researchers understand the self-attention mechanism in transformers that allows these models to learn rich, contextual relationships between elements of a sequence. The main idea behind our method is to visualize a joint embedding of the query and key vectors used by transformer models to compute attention. Unlike previous attention visualization techniques, our approach enables the analysis of global patterns across multiple input sequences. We create an interactive visualization tool, AttentionViz, based on these joint query-key embeddings, and use it to study attention mechanisms in both language and vision transformers. We demonstrate the utility of our approach in improving model understanding and offering new insights about query-key interactions through several application scenarios and expert feedback.

In order to reduce the computational complexity of large language models, great efforts have been made to to improve the efficiency of transformer models such as linear attention and flash-attention. However, the model size and corresponding computational complexity are constantly scaled up in pursuit of higher performance. In this work, we present MemoryFormer, a novel transformer architecture which significantly reduces the computational complexity (FLOPs) from a new perspective. We eliminate nearly all the computations of the transformer model except for the necessary computation required by the multi-head attention operation. This is made possible by utilizing an alternative method for feature transformation to replace the linear projection of fully-connected layers. Specifically, we first construct a group of in-memory lookup tables that store a large amount of discrete vectors to replace the weight matrix used in linear projection. We then use a hash algorithm to retrieve a correlated subset of vectors dynamically based on the input embedding. The retrieved vectors combined together will form the output embedding, which provides an estimation of the result of matrix multiplication operation in a fully-connected layer. Compared to conducting matrix multiplication, retrieving data blocks from memory is a much cheaper operation which requires little computations. We train MemoryFormer from scratch and conduct extensive experiments on various benchmarks to demonstrate the effectiveness of the proposed model.

Powerful foundation models, including large language models (LLMs), with Transformer architectures have ushered in a new era of Generative AI across various industries. Industry and research community have witnessed a large number of new applications, based on those foundation models. Such applications include question and answer, customer services, image and video generation, and code completions, among others. However, as the number of model parameters reaches to hundreds of billions, their deployment incurs prohibitive inference costs and high latency in real-world scenarios. As a result, the demand for cost-effective and fast inference using AI accelerators is ever more higher. To this end, our tutorial offers a comprehensive discussion on complementary inference optimization techniques using AI accelerators. Beginning with an overview of basic Transformer architectures and deep learning system frameworks, we deep dive into system optimization techniques for fast and memory-efficient attention computations and discuss how they can be implemented efficiently on AI accelerators. Next, we describe architectural elements that are key for fast transformer inference. Finally, we examine various model compression and fast decoding strategies in the same context.

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.

The recently developed vision transformer (ViT) has achieved promising results on image classification compared to convolutional neural networks. Inspired by this, in this paper, we study how to learn multi-scale feature representations in transformer models for image classification. To this end, we propose a dual-branch transformer to combine image patches (i.e., tokens in a transformer) of different sizes to produce stronger image features. Our approach processes small-patch and large-patch tokens with two separate branches of different computational complexity and these tokens are then fused purely by attention multiple times to complement each other. Furthermore, to reduce computation, we develop a simple yet effective token fusion module based on cross attention, which uses a single token for each branch as a query to exchange information with other branches. Our proposed cross-attention only requires linear time for both computational and memory complexity instead of quadratic time otherwise. Extensive experiments demonstrate that our approach performs better than or on par with several concurrent works on vision transformer, in addition to efficient CNN models. For example, on the ImageNet1K dataset, with some architectural changes, our approach outperforms the recent DeiT by a large margin of 2\% with a small to moderate increase in FLOPs and model parameters. Our source codes and models are available at https://github.com/IBM/CrossViT.

Transformer models cannot easily scale to long sequences due to their O(N^2) time and space complexity. This has led to Transformer variants seeking to lower computational complexity, such as Longformer and Performer. While such models have theoretically greater efficiency, their effectiveness on real NLP tasks has not been well studied. We benchmark 7 variants of Transformer models on 5 difficult NLP tasks and 7 datasets. We design experiments to isolate the effect of pretraining and hyperparameter settings, to focus on their capacity for long-range attention. Moreover, we present various methods to investigate attention behaviors to illuminate model details beyond metric scores. We find that the modified attention in long-range transformers has advantages on content selection and query-guided decoding, but they come with previously unrecognized drawbacks such as insufficient attention to distant tokens and accumulated approximation error.

We consider automatically identifying the defined term within a mathematical definition from the text of an academic article. Inspired by the development of transformer-based natural language processing applications, we pose the problem as (a) a token-level classification task using fine-tuned pre-trained transformers; and (b) a question-answering task using a generalist large language model (GPT). We also propose a rule-based approach to build a labeled dataset from the LATEX source of papers. Experimental results show that it is possible to reach high levels of precision and recall using either recent (and expensive) GPT 4 or simpler pre-trained models fine-tuned on our task.

The performance of transformers for time-series forecasting has improved significantly. Recent architectures learn complex temporal patterns by segmenting a time-series into patches and using the patches as tokens. The patch size controls the ability of transformers to learn the temporal patterns at different frequencies: shorter patches are effective for learning localized, high-frequency patterns, whereas mining long-term seasonalities and trends requires longer patches. Inspired by this observation, we propose a novel framework, Multi-resolution Time-Series Transformer (MTST), which consists of a multi-branch architecture for simultaneous modeling of diverse temporal patterns at different resolutions. In contrast to many existing time-series transformers, we employ relative positional encoding, which is better suited for extracting periodic components at different scales. Extensive experiments on several real-world datasets demonstrate the effectiveness of MTST in comparison to state-of-the-art forecasting techniques.

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.

Recent research in mechanistic interpretability has attempted to reverse-engineer Transformer models by carefully inspecting network weights and activations. However, these approaches require considerable manual effort and still fall short of providing complete, faithful descriptions of the underlying algorithms. In this work, we introduce a procedure for training Transformers that are mechanistically interpretable by design. We build on RASP [Weiss et al., 2021], a programming language that can be compiled into Transformer weights. Instead of compiling human-written programs into Transformers, we design a modified Transformer that can be trained using gradient-based optimization and then automatically converted into a discrete, human-readable program. We refer to these models as Transformer Programs. To validate our approach, we learn Transformer Programs for a variety of problems, including an in-context learning task, a suite of algorithmic problems (e.g. sorting, recognizing Dyck languages), and NLP tasks including named entity recognition and text classification. The Transformer Programs can automatically find reasonable solutions, performing on par with standard Transformers of comparable size; and, more importantly, they are easy to interpret. To demonstrate these advantages, we convert Transformers into Python programs and use off-the-shelf code analysis tools to debug model errors and identify the "circuits" used to solve different sub-problems. We hope that Transformer Programs open a new path toward the goal of intrinsically interpretable machine learning.

Transformer first appears in the field of natural language processing and is later migrated to the computer vision domain, where it demonstrates excellent performance in vision tasks. However, recently, Retentive Network (RetNet) has emerged as an architecture with the potential to replace Transformer, attracting widespread attention in the NLP community. Therefore, we raise the question of whether transferring RetNet's idea to vision can also bring outstanding performance to vision tasks. To address this, we combine RetNet and Transformer to propose RMT. Inspired by RetNet, RMT introduces explicit decay into the vision backbone, bringing prior knowledge related to spatial distances to the vision model. This distance-related spatial prior allows for explicit control of the range of tokens that each token can attend to. Additionally, to reduce the computational cost of global modeling, we decompose this modeling process along the two coordinate axes of the image. Abundant experiments have demonstrated that our RMT exhibits exceptional performance across various computer vision tasks. For example, RMT achieves 84.1% Top1-acc on ImageNet-1k using merely 4.5G FLOPs. To the best of our knowledge, among all models, RMT achieves the highest Top1-acc when models are of similar size and trained with the same strategy. Moreover, RMT significantly outperforms existing vision backbones in downstream tasks such as object detection, instance segmentation, and semantic segmentation. Our work is still in progress.

Besides natural language processing, transformers exhibit extraordinary performance in solving broader applications, including scientific computing and computer vision. Previous works try to explain this from the expressive power and capability perspectives that standard transformers are capable of performing some algorithms. To empower transformers with algorithmic capabilities and motivated by the recently proposed looped transformer (Yang et al., 2024; Giannou et al., 2023), we design a novel transformer block, dubbed Algorithm Transformer (abbreviated as AlgoFormer). Compared with the standard transformer and vanilla looped transformer, the proposed AlgoFormer can achieve significantly higher expressiveness in algorithm representation when using the same number of parameters. In particular, inspired by the structure of human-designed learning algorithms, our transformer block consists of a pre-transformer that is responsible for task pre-processing, a looped transformer for iterative optimization algorithms, and a post-transformer for producing the desired results after post-processing. We provide theoretical evidence of the expressive power of the AlgoFormer in solving some challenging problems, mirroring human-designed algorithms. Furthermore, some theoretical and empirical results are presented to show that the designed transformer has the potential to be smarter than human-designed algorithms. Experimental results demonstrate the empirical superiority of the proposed transformer in that it outperforms the standard transformer and vanilla looped transformer in some challenging tasks.

We investigate the training of sparse layers that use different parameters for different inputs based on hashing in large Transformer models. Specifically, we modify the feedforward layer to hash to different sets of weights depending on the current token, over all tokens in the sequence. We show that this procedure either outperforms or is competitive with learning-to-route mixture-of-expert methods such as Switch Transformers and BASE Layers, while requiring no routing parameters or extra terms in the objective function such as a load balancing loss, and no sophisticated assignment algorithm. We study the performance of different hashing techniques, hash sizes and input features, and show that balanced and random hashes focused on the most local features work best, compared to either learning clusters or using longer-range context. We show our approach works well both on large language modeling and dialogue tasks, and on downstream fine-tuning tasks.

State-of-the-art results in large language models (LLMs) often rely on scale, which becomes computationally expensive. This has sparked a research agenda to reduce these models' parameter counts and computational costs without significantly impacting their performance. Our study focuses on transformer-based LLMs, specifically targeting the computationally intensive feedforward networks (FFNs), which are less studied than attention blocks. We consider three structured linear parameterizations of the FFN using efficient low-rank and block-diagonal matrices. In contrast to many previous works that examined these approximations, our study i) explores these structures from a training-from-scratch perspective, ii) scales up to 1.3B parameters, and iii) is conducted within recent Transformer-based LLMs rather than convolutional architectures. We demonstrate that these structures can lead to actual computational gains in various scenarios, including online decoding when using a pre-merge technique. Additionally, we propose a novel training regime, called self-guided training, aimed at improving the poor training dynamics that these approximations exhibit when used from initialization. Interestingly, the scaling performance of structured matrices is explored, revealing steeper curves in scaling training FLOPs, along with a favorable scaling trend in the overtraining regime. Specifically, we show that wide and structured networks can utilize training FLOPs more efficiently, with fewer parameters and lower loss than dense models at their optimal trade-off. Our code is available at https://github.com/CLAIRE-Labo/StructuredFFN/tree/main.

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.

We investigate the transformer's capability for in-context learning (ICL) to simulate the training process of deep models. Our key contribution is providing a positive example of using a transformer to train a deep neural network by gradient descent in an implicit fashion via ICL. Specifically, we provide an explicit construction of a (2N+4)L-layer transformer capable of simulating L gradient descent steps of an N-layer ReLU network through ICL. We also give the theoretical guarantees for the approximation within any given error and the convergence of the ICL gradient descent. Additionally, we extend our analysis to the more practical setting using Softmax-based transformers. We validate our findings on synthetic datasets for 3-layer, 4-layer, and 6-layer neural networks. The results show that ICL performance matches that of direct training.

In-context learning is one of the surprising and useful features of large language models. How it works is an active area of research. Recently, stylized meta-learning-like setups have been devised that train these models on a sequence of input-output pairs (x, f(x)) from a function class using the language modeling loss and observe generalization to unseen functions from the same class. One of the main discoveries in this line of research has been that for several problems such as linear regression, trained transformers learn algorithms for learning functions in context. However, the inductive biases of these models resulting in this behavior are not clearly understood. A model with unlimited training data and compute is a Bayesian predictor: it learns the pretraining distribution. It has been shown that high-capacity transformers mimic the Bayesian predictor for linear regression. In this paper, we show empirical evidence of transformers exhibiting the behavior of this ideal learner across different linear and non-linear function classes. We also extend the previous setups to work in the multitask setting and verify that transformers can do in-context learning in this setup as well and the Bayesian perspective sheds light on this setting also. Finally, via the example of learning Fourier series, we study the inductive bias for in-context learning. We find that in-context learning may or may not have simplicity bias depending on the pretraining data distribution.

The Transformer architecture deeply changed the natural language processing, outperforming all previous state-of-the-art models. However, well-known Transformer models like BERT, RoBERTa, and GPT-2 require a huge compute budget to create a high quality contextualised representation. In this paper, we study several efficient pre-training objectives for Transformers-based models. By testing these objectives on different tasks, we determine which of the ELECTRA model's new features is the most relevant. We confirm that Transformers pre-training is improved when the input does not contain masked tokens and that the usage of the whole output to compute the loss reduces training time. Moreover, inspired by ELECTRA, we study a model composed of two blocks; a discriminator and a simple generator based on a statistical model with no impact on the computational performances. Besides, we prove that eliminating the MASK token and considering the whole output during the loss computation are essential choices to improve performance. Furthermore, we show that it is possible to efficiently train BERT-like models using a discriminative approach as in ELECTRA but without a complex generator, which is expensive. Finally, we show that ELECTRA benefits heavily from a state-of-the-art hyper-parameters search.

Transformer is a powerful model for text understanding. However, it is inefficient due to its quadratic complexity to input sequence length. Although there are many methods on Transformer acceleration, they are still either inefficient on long sequences or not effective enough. In this paper, we propose Fastformer, which is an efficient Transformer model based on additive attention. In Fastformer, instead of modeling the pair-wise interactions between tokens, we first use additive attention mechanism to model global contexts, and then further transform each token representation based on its interaction with global context representations. In this way, Fastformer can achieve effective context modeling with linear complexity. Extensive experiments on five datasets show that Fastformer is much more efficient than many existing Transformer models and can meanwhile achieve comparable or even better long text modeling performance.

Transformer-based language models are now widely used in Natural Language Processing (NLP). This statement is especially true for English language, in which many pre-trained models utilizing transformer-based architecture have been published in recent years. This has driven forward the state of the art for a variety of standard NLP tasks such as classification, regression, and sequence labeling, as well as text-to-text tasks, such as machine translation, question answering, or summarization. The situation have been different for low-resource languages, such as Polish, however. Although some transformer-based language models for Polish are available, none of them have come close to the scale, in terms of corpus size and the number of parameters, of the largest English-language models. In this study, we present two language models for Polish based on the popular BERT architecture. The larger model was trained on a dataset consisting of over 1 billion polish sentences, or 135GB of raw text. We describe our methodology for collecting the data, preparing the corpus, and pre-training the model. We then evaluate our models on thirteen Polish linguistic tasks, and demonstrate improvements over previous approaches in eleven of them.

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a variety of tasks. The pre-trained model is then used to infer class probabilities in-context on fresh training sets with arbitrary size and distribution. Empirically, PFNs achieve state-of-the-art performance on tasks with similar size to the ones used in pre-training. Surprisingly, their accuracy further improves when passed larger data sets during inference. This article establishes a theoretical foundation for PFNs and illuminates the statistical mechanisms governing their behavior. While PFNs are motivated by Bayesian ideas, a purely frequentistic interpretation of PFNs as pre-tuned, but untrained predictors explains their behavior. A predictor's variance vanishes if its sensitivity to individual training samples does and the bias vanishes only if it is appropriately localized around the test feature. The transformer architecture used in current PFN implementations ensures only the former. These findings shall prove useful for designing architectures with favorable empirical behavior.

Transformers achieve remarkable performance in several tasks but due to their quadratic complexity, with respect to the input's length, they are prohibitively slow for very long sequences. To address this limitation, we express the self-attention as a linear dot-product of kernel feature maps and make use of the associativity property of matrix products to reduce the complexity from Oleft(N^2right) to Oleft(Nright), where N is the sequence length. We show that this formulation permits an iterative implementation that dramatically accelerates autoregressive transformers and reveals their relationship to recurrent neural networks. Our linear transformers achieve similar performance to vanilla transformers and they are up to 4000x faster on autoregressive prediction of very long sequences.

We perform an effective-theory analysis of forward-backward signal propagation in wide and deep Transformers, i.e., residual neural networks with multi-head self-attention blocks and multilayer perceptron blocks. This analysis suggests particular width scalings of initialization and training hyperparameters for these models. We then take up such suggestions, training Vision and Language Transformers in practical setups.

At present, the mechanisms of in-context learning in Transformers are not well understood and remain mostly an intuition. In this paper, we suggest that training Transformers on auto-regressive objectives is closely related to gradient-based meta-learning formulations. We start by providing a simple weight construction that shows the equivalence of data transformations induced by 1) a single linear self-attention layer and by 2) gradient-descent (GD) on a regression loss. Motivated by that construction, we show empirically that when training self-attention-only Transformers on simple regression tasks either the models learned by GD and Transformers show great similarity or, remarkably, the weights found by optimization match the construction. Thus we show how trained Transformers become mesa-optimizers i.e. learn models by gradient descent in their forward pass. This allows us, at least in the domain of regression problems, to mechanistically understand the inner workings of in-context learning in optimized Transformers. Building on this insight, we furthermore identify how Transformers surpass the performance of plain gradient descent by learning an iterative curvature correction and learn linear models on deep data representations to solve non-linear regression tasks. Finally, we discuss intriguing parallels to a mechanism identified to be crucial for in-context learning termed induction-head (Olsson et al., 2022) and show how it could be understood as a specific case of in-context learning by gradient descent learning within Transformers. Code to reproduce the experiments can be found at https://github.com/google-research/self-organising-systems/tree/master/transformers_learn_icl_by_gd .

Transformers have emerged as the cornerstone of state-of-the-art natural language processing models, showcasing exceptional performance across a wide range of AI applications. However, the memory demands posed by the self-attention mechanism and the large feedforward network in Transformers limit their ability to handle long sequences, thereby creating challenges for tasks involving multiple long sequences or long-term dependencies. We present a distinct approach, Blockwise Parallel Transformer (BPT), that leverages blockwise computation of self-attention and feedforward network fusion to minimize memory costs. By processing longer input sequences while maintaining memory efficiency, BPT enables training sequences up to 32 times longer than vanilla Transformers and 2 to 4 times longer than previous memory-efficient methods. Extensive experiments on language modeling and reinforcement learning tasks demonstrate the effectiveness of BPT in reducing memory requirements and improving performance.

We present Banyan, a model that efficiently learns semantic representations by leveraging explicit hierarchical structure. While transformers excel at scale, they struggle in low-resource settings. Conversely recent structured models have shown promise as efficient learners, but lack performance. Banyan bridges this gap with two key innovations: an entangled hierarchical tree structure and diagonalized message passing, enabling it to outperform larger transformer models with just 14 non-embedding parameters. It excels in low-resource settings, offering a viable alternative for under-represented languages and highlighting its potential for efficient, interpretable NLP in resource-constrained environments.

As we show in this paper, the prediction for output token n+1 of Transformer architectures without one of the mechanisms of positional encodings and causal attention is invariant to permutations of input tokens 1, 2, ..., n-1. Usually, both mechanisms are employed and the symmetry with respect to the input tokens is broken. Recently, it has been shown that one can train Transformers without positional encodings. This must be enabled by the causal attention mechanism. In this paper, we elaborate on the argument that the causal connection mechanism must be responsible for the fact that Transformers are able to model input sequences where the order is important. Vertical "slices" of Transformers are all encouraged to represent the same location k in the input sequence. We hypothesize that residual connections contribute to this phenomenon, and demonstrate evidence for this.

The design choices in Transformer feed-forward neural networks have resulted in significant computational and parameter overhead. In this work, we emphasize the importance of hidden dimension in designing lightweight FFNs, a factor often overlooked in previous architectures. Guided by this principle, we introduce PartialFormer, a parameter-efficient Transformer architecture utilizing multiple smaller FFNs to reduce parameters and computation while maintaining essential hidden dimensions. These smaller FFNs are integrated into a multi-head attention system to enable effective collaboration. We also propose a tailored head scaling strategy to enhance PartialFormer's capabilities. Furthermore, we present a residual-like attention calculation to improve depth scaling within PartialFormer. Extensive experiments on 9 translation tasks and 1 abstractive summarization task validate the effectiveness of our PartialFormer approach. Our code would be available at: https://github.com/zhengkid/PartialFormer.

Recent work demonstrated Transformers' ability to efficiently copy strings of exponential sizes, distinguishing them from other architectures. We present the Causal Relation Network (CausalRN), an all-MLP sequence modeling architecture that can match Transformers on the copying task. Extending Relation Networks (RNs), we implemented key innovations to support autoregressive sequence modeling while maintaining computational feasibility. We discovered that exponentially-activated RNs are reducible to linear time complexity, and pre-activation normalization induces an infinitely growing memory pool, similar to a KV cache. In ablation study, we found both exponential activation and pre-activation normalization are indispensable for Transformer-level copying. Our findings provide new insights into what actually constitutes strong in-context retrieval.

The Transformer architecture is widely used in natural language processing. Despite its success, the design principle of the Transformer remains elusive. In this paper, we provide a novel perspective towards understanding the architecture: we show that the Transformer can be mathematically interpreted as a numerical Ordinary Differential Equation (ODE) solver for a convection-diffusion equation in a multi-particle dynamic system. In particular, how words in a sentence are abstracted into contexts by passing through the layers of the Transformer can be interpreted as approximating multiple particles' movement in the space using the Lie-Trotter splitting scheme and the Euler's method. Given this ODE's perspective, the rich literature of numerical analysis can be brought to guide us in designing effective structures beyond the Transformer. As an example, we propose to replace the Lie-Trotter splitting scheme by the Strang-Marchuk splitting scheme, a scheme that is more commonly used and with much lower local truncation errors. The Strang-Marchuk splitting scheme suggests that the self-attention and position-wise feed-forward network (FFN) sub-layers should not be treated equally. Instead, in each layer, two position-wise FFN sub-layers should be used, and the self-attention sub-layer is placed in between. This leads to a brand new architecture. Such an FFN-attention-FFN layer is "Macaron-like", and thus we call the network with this new architecture the Macaron Net. Through extensive experiments, we show that the Macaron Net is superior to the Transformer on both supervised and unsupervised learning tasks. The reproducible codes and pretrained models can be found at https://github.com/zhuohan123/macaron-net

We introduce PDE-Transformer, an improved transformer-based architecture for surrogate modeling of physics simulations on regular grids. We combine recent architectural improvements of diffusion transformers with adjustments specific for large-scale simulations to yield a more scalable and versatile general-purpose transformer architecture, which can be used as the backbone for building large-scale foundation models in physical sciences. We demonstrate that our proposed architecture outperforms state-of-the-art transformer architectures for computer vision on a large dataset of 16 different types of PDEs. We propose to embed different physical channels individually as spatio-temporal tokens, which interact via channel-wise self-attention. This helps to maintain a consistent information density of tokens when learning multiple types of PDEs simultaneously. We demonstrate that our pre-trained models achieve improved performance on several challenging downstream tasks compared to training from scratch and also beat other foundation model architectures for physics simulations.