Daily Papers

One of the roadblocks for training generalist robotic models today is heterogeneity. Previous robot learning methods often collect data to train with one specific embodiment for one task, which is expensive and prone to overfitting. This work studies the problem of learning policy representations through heterogeneous pre-training on robot data across different embodiments and tasks at scale. We propose Heterogeneous Pre-trained Transformers (HPT), which pre-train a large, shareable trunk of a policy neural network to learn a task and embodiment agnostic shared representation. This general architecture aligns the specific proprioception and vision inputs from distinct embodiments to a short sequence of tokens and then processes such tokens to map to control robots for different tasks. Leveraging the recent large-scale multi-embodiment real-world robotic datasets as well as simulation, deployed robots, and human video datasets, we investigate pre-training policies across heterogeneity. We conduct experiments to investigate the scaling behaviors of training objectives, to the extent of 52 datasets. HPTs outperform several baselines and enhance the fine-tuned policy performance by over 20% on unseen tasks in multiple simulator benchmarks and real-world settings. See the project website (https://liruiw.github.io/hpt/) for code and videos.

A central problem in building effective sound event detection systems is the lack of high-quality, strongly annotated sound event datasets. For this reason, Task 4 of the DCASE 2024 challenge proposes learning from two heterogeneous datasets, including audio clips labeled with varying annotation granularity and with different sets of possible events. We propose a multi-iteration, multi-stage procedure for fine-tuning Audio Spectrogram Transformers on the joint DESED and MAESTRO Real datasets. The first stage closely matches the baseline system setup and trains a CRNN model while keeping the pre-trained transformer model frozen. In the second stage, both CRNN and transformer are fine-tuned using heavily weighted self-supervised losses. After the second stage, we compute strong pseudo-labels for all audio clips in the training set using an ensemble of fine-tuned transformers. Then, in a second iteration, we repeat the two-stage training process and include a distillation loss based on the pseudo-labels, achieving a new single-model, state-of-the-art performance on the public evaluation set of DESED with a PSDS1 of 0.692. A single model and an ensemble, both based on our proposed training procedure, ranked first in Task 4 of the DCASE Challenge 2024.

Online Social Networks serve as fertile ground for harmful behavior, ranging from hate speech to the dissemination of disinformation. Malicious actors now have unprecedented freedom to misbehave, leading to severe societal unrest and dire consequences, as exemplified by events such as the Capitol assault during the US presidential election and the Antivaxx movement during the COVID-19 pandemic. Understanding online language has become more pressing than ever. While existing works predominantly focus on content analysis, we aim to shift the focus towards understanding harmful behaviors by relating content to their respective authors. Numerous novel approaches attempt to learn the stylistic features of authors in texts, but many of these approaches are constrained by small datasets or sub-optimal training losses. To overcome these limitations, we introduce the Style Transformer for Authorship Representations (STAR), trained on a large corpus derived from public sources of 4.5 x 10^6 authored texts involving 70k heterogeneous authors. Our model leverages Supervised Contrastive Loss to teach the model to minimize the distance between texts authored by the same individual. This author pretext pre-training task yields competitive performance at zero-shot with PAN challenges on attribution and clustering. Additionally, we attain promising results on PAN verification challenges using a single dense layer, with our model serving as an embedding encoder. Finally, we present results from our test partition on Reddit. Using a support base of 8 documents of 512 tokens, we can discern authors from sets of up to 1616 authors with at least 80\% accuracy. We share our pre-trained model at huggingface (https://huggingface.co/AIDA-UPM/star) and our code is available at (https://github.com/jahuerta92/star)

Soft object manipulation tasks in domestic scenes pose a significant challenge for existing robotic skill learning techniques due to their complex dynamics and variable shape characteristics. Since learning new manipulation skills from human demonstration is an effective way for robot applications, developing prior knowledge of the representation and dynamics of soft objects is necessary. In this regard, we propose a pre-trained soft object manipulation skill learning model, namely SoftGPT, that is trained using large amounts of exploration data, consisting of a three-dimensional heterogeneous graph representation and a GPT-based dynamics model. For each downstream task, a goal-oriented policy agent is trained to predict the subsequent actions, and SoftGPT generates the consequences of these actions. Integrating these two approaches establishes a thinking process in the robot's mind that provides rollout for facilitating policy learning. Our results demonstrate that leveraging prior knowledge through this thinking process can efficiently learn various soft object manipulation skills, with the potential for direct learning from human demonstrations.

Previous works on Treatment Effect Estimation (TEE) are not in widespread use because they are predominantly theoretical, where strong parametric assumptions are made but untractable for practical application. Recent work uses multilayer perceptron (MLP) for modeling casual relationships, however, MLPs lag far behind recent advances in ML methodology, which limits their applicability and generalizability. To extend beyond the single domain formulation and towards more realistic learning scenarios, we explore model design spaces beyond MLPs, i.e., transformer backbones, which provide flexibility where attention layers govern interactions among treatments and covariates to exploit structural similarities of potential outcomes for confounding control. Through careful model design, Transformers as Treatment Effect Estimators (TransTEE) is proposed. We show empirically that TransTEE can: (1) serve as a general purpose treatment effect estimator that significantly outperforms competitive baselines in a variety of challenging TEE problems (e.g., discrete, continuous, structured, or dosage-associated treatments) and is applicable to both when covariates are tabular and when they consist of structural data (e.g., texts, graphs); (2) yield multiple advantages: compatibility with propensity score modeling, parameter efficiency, robustness to continuous treatment value distribution shifts, explainable in covariate adjustment, and real-world utility in auditing pre-trained language models

We present SOLO, a single transformer for Scalable visiOn-Language mOdeling. Current large vision-language models (LVLMs) such as LLaVA mostly employ heterogeneous architectures that connect pre-trained visual encoders with large language models (LLMs) to facilitate visual recognition and complex reasoning. Although achieving remarkable performance with relatively lightweight training, we identify four primary scalability limitations: (1) The visual capacity is constrained by pre-trained visual encoders, which are typically an order of magnitude smaller than LLMs. (2) The heterogeneous architecture complicates the use of established hardware and software infrastructure. (3) Study of scaling laws on such architecture must consider three separate components - visual encoder, connector, and LLMs, which complicates the analysis. (4) The use of existing visual encoders typically requires following a pre-defined specification of image inputs pre-processing, for example, by reshaping inputs to fixed-resolution square images, which presents difficulties in processing and training on high-resolution images or those with unusual aspect ratio. A unified single Transformer architecture, like SOLO, effectively addresses these scalability concerns in LVLMs; however, its limited adoption in the modern context likely stems from the absence of reliable training recipes that balance both modalities and ensure stable training for billion-scale models. In this paper, we introduce the first open-source training recipe for developing SOLO, an open-source 7B LVLM using moderate academic resources. The training recipe involves initializing from LLMs, sequential pre-training on ImageNet and web-scale data, and instruction fine-tuning on our curated high-quality datasets. On extensive evaluation, SOLO demonstrates performance comparable to LLaVA-v1.5-7B, particularly excelling in visual mathematical reasoning.

We present a model that can perform multiple vision tasks and can be adapted to other downstream tasks efficiently. Despite considerable progress in multi-task learning, most efforts focus on learning from multi-label data: a single image set with multiple task labels. Such multi-label data sets are rare, small, and expensive. We say heterogeneous to refer to image sets with different task labels, or to combinations of single-task datasets. Few have explored training on such heterogeneous datasets. General-purpose vision models are still dominated by single-task pretraining, and it remains unclear how to scale up multi-task models by leveraging mainstream vision datasets designed for different purposes. The challenges lie in managing large intrinsic differences among vision tasks, including data distribution, architectures, task-specific modules, dataset scales, and sampling strategies. To address these challenges, we propose to modify and scale up mixture-of-experts (MoE) vision transformers, so that they can simultaneously learn classification, detection, and segmentation on diverse mainstream vision datasets including ImageNet, COCO, and ADE20K. Our approach achieves comparable results to single-task state-of-the-art models and demonstrates strong generalization on downstream tasks. Due to its emergent modularity, this general-purpose model decomposes into high-performing components, efficiently adapting to downstream tasks. We can fine-tune it with fewer training parameters, fewer model parameters, and less computation. Additionally, its modularity allows for easy expansion in continual-learning-without-forgetting scenarios. Finally, these functions can be controlled and combined to meet various demands of downstream tasks.

All data on the Internet are transferred by network traffic, thus accurately modeling network traffic can help improve network services quality and protect data privacy. Pretrained models for network traffic can utilize large-scale raw data to learn the essential characteristics of network traffic, and generate distinguishable results for input traffic without considering specific downstream tasks. Effective pretrained models can significantly optimize the training efficiency and effectiveness of downstream tasks, such as application classification, attack detection and traffic generation. Despite the great success of pretraining in natural language processing, there is no work in the network field. Considering the diverse demands and characteristics of network traffic and network tasks, it is non-trivial to build a pretrained model for network traffic and we face various challenges, especially the heterogeneous headers and payloads in the multi-pattern network traffic and the different dependencies for contexts of diverse downstream network tasks. To tackle these challenges, in this paper, we make the first attempt to provide a generative pretrained model NetGPT for both traffic understanding and generation tasks. We propose the multi-pattern network traffic modeling to construct unified text inputs and support both traffic understanding and generation tasks. We further optimize the adaptation effect of the pretrained model to diversified tasks by shuffling header fields, segmenting packets in flows, and incorporating diverse task labels with prompts. With diverse traffic datasets from encrypted software, DNS, private industrial protocols and cryptocurrency mining, expensive experiments demonstrate the effectiveness of our NetGPT in a range of traffic understanding and generation tasks on traffic datasets, and outperform state-of-the-art baselines by a wide margin.

Transformers pretrained on diverse tasks exhibit remarkable in-context learning (ICL) capabilities, enabling them to solve unseen tasks solely based on input contexts without adjusting model parameters. In this paper, we study ICL in one of its simplest setups: pretraining a linearly parameterized single-layer linear attention model for linear regression with a Gaussian prior. We establish a statistical task complexity bound for the attention model pretraining, showing that effective pretraining only requires a small number of independent tasks. Furthermore, we prove that the pretrained model closely matches the Bayes optimal algorithm, i.e., optimally tuned ridge regression, by achieving nearly Bayes optimal risk on unseen tasks under a fixed context length. These theoretical findings complement prior experimental research and shed light on the statistical foundations of ICL.

Pre-training a large transformer model on a massive amount of unlabeled data and fine-tuning it on labeled datasets for diverse downstream tasks has proven to be a successful strategy, for a variety of vision and natural language processing tasks. However, direct fine-tuning of the pre-trained model may be suboptimal if there exist large discrepancies across data domains for pre-training and fine-tuning. To tackle this issue, several previous studies have proposed further pre-training strategies, where we continue to pre-train the model on the target unlabeled dataset before fine-tuning. However, all of them solely focus on language models and we empirically find that a Vision Transformer is vulnerable to overfitting as we continue to pretrain the model on target unlabeled data. In order to tackle this limitation, we propose self-distillation as a regularization for a further pre-training stage. Specifically, we first further pre-train the initial pre-trained model on the target unlabeled data and then consider it as a teacher for self-distillation. Then we take the same initial pre-trained model as a student and enforce its hidden representations to be close to those of the teacher while optimizing the student with a masked auto-encoding objective. We empirically validate the efficacy of self-distillation on a variety of benchmark datasets for image and text classification tasks. Experimentally, we show that our proposed method outperforms all the relevant baselines. Theoretically, we analyze the proposed method with a simplified model to understand how self-distillation for further pre-training can potentially help improve the performance of the downstream tasks.

Transformer models, notably large language models (LLMs), have the remarkable ability to perform in-context learning (ICL) -- to perform new tasks when prompted with unseen input-output examples without any explicit model training. In this work, we study how effectively transformers can bridge between their pretraining data mixture, comprised of multiple distinct task families, to identify and learn new tasks in-context which are both inside and outside the pretraining distribution. Building on previous work, we investigate this question in a controlled setting, where we study transformer models trained on sequences of (x, f(x)) pairs rather than natural language. Our empirical results show transformers demonstrate near-optimal unsupervised model selection capabilities, in their ability to first in-context identify different task families and in-context learn within them when the task families are well-represented in their pretraining data. However when presented with tasks or functions which are out-of-domain of their pretraining data, we demonstrate various failure modes of transformers and degradation of their generalization for even simple extrapolation tasks. Together our results highlight that the impressive ICL abilities of high-capacity sequence models may be more closely tied to the coverage of their pretraining data mixtures than inductive biases that create fundamental generalization capabilities.

Learning feature interaction is the critical backbone to building recommender systems. In web-scale applications, learning feature interaction is extremely challenging due to the sparse and large input feature space; meanwhile, manually crafting effective feature interactions is infeasible because of the exponential solution space. We propose to leverage a Transformer-based architecture with attention layers to automatically capture feature interactions. Transformer architectures have witnessed great success in many domains, such as natural language processing and computer vision. However, there has not been much adoption of Transformer architecture for feature interaction modeling in industry. We aim at closing the gap. We identify two key challenges for applying the vanilla Transformer architecture to web-scale recommender systems: (1) Transformer architecture fails to capture the heterogeneous feature interactions in the self-attention layer; (2) The serving latency of Transformer architecture might be too high to be deployed in web-scale recommender systems. We first propose a heterogeneous self-attention layer, which is a simple yet effective modification to the self-attention layer in Transformer, to take into account the heterogeneity of feature interactions. We then introduce Hiformer (Heterogeneous Interaction Transformer) to further improve the model expressiveness. With low-rank approximation and model pruning, \hiformer enjoys fast inference for online deployment. Extensive offline experiment results corroborates the effectiveness and efficiency of the Hiformer model. We have successfully deployed the Hiformer model to a real world large scale App ranking model at Google Play, with significant improvement in key engagement metrics (up to +2.66\%).

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.

Pretrained transformers exhibit the remarkable ability of in-context learning (ICL): they can learn tasks from just a few examples provided in the prompt without updating any weights. This raises a foundational question: can ICL solve fundamentally new tasks that are very different from those seen during pretraining? To probe this question, we examine ICL's performance on linear regression while varying the diversity of tasks in the pretraining dataset. We empirically demonstrate a task diversity threshold for the emergence of ICL. Below this threshold, the pretrained transformer cannot solve unseen regression tasks, instead behaving like a Bayesian estimator with the non-diverse pretraining task distribution as the prior. Beyond this threshold, the transformer significantly outperforms this estimator; its behavior aligns with that of ridge regression, corresponding to a Gaussian prior over all tasks, including those not seen during pretraining. Thus, when pretrained on data with task diversity greater than the threshold, transformers can optimally solve fundamentally new tasks in-context. Importantly, this capability hinges on it deviating from the Bayes optimal estimator with the pretraining distribution as the prior. This study also explores the effect of regularization, model capacity and task structure and underscores, in a concrete example, the critical role of task diversity, alongside data and model scale, in the emergence of ICL. Code is available at https://github.com/mansheej/icl-task-diversity.

Cardiac biosignals, such as electrocardiograms (ECG) and photoplethysmograms (PPG), are of paramount importance for the diagnosis, prevention, and management of cardiovascular diseases, and have been extensively used in a variety of clinical tasks. Conventional deep learning approaches for analyzing these signals typically rely on homogeneous datasets and static bespoke models, limiting their robustness and generalizability across diverse clinical settings and acquisition protocols. In this study, we present a cardiac sensing foundation model (CSFM) that leverages advanced transformer architectures and a generative, masked pretraining strategy to learn unified representations from vast, heterogeneous health records. Our model is pretrained on an innovative multi-modal integration of data from multiple large-scale datasets (including MIMIC-III-WDB, MIMIC-IV-ECG, and CODE), comprising cardiac signals and the corresponding clinical or machine-generated text reports from approximately 1.7 million individuals. We demonstrate that the embeddings derived from our CSFM not only serve as effective feature extractors across diverse cardiac sensing scenarios, but also enable seamless transfer learning across varying input configurations and sensor modalities. Extensive evaluations across diagnostic tasks, demographic information recognition, vital sign measurement, clinical outcome prediction, and ECG question answering reveal that CSFM consistently outperforms traditional one-modal-one-task approaches. Notably, CSFM exhibits robust performance across multiple ECG lead configurations from standard 12-lead systems to single-lead setups, and in scenarios where only ECG, only PPG, or a combination thereof is available. These findings highlight the potential of CSFM as a versatile and scalable solution, for comprehensive cardiac monitoring.

We present a pre-training approach for vision and language transformer models, which is based on a mixture of diverse tasks. We explore both the use of image-text captioning data in pre-training, which does not need additional supervision, as well as object-aware strategies to pre-train the model. We evaluate the method on a number of textgenerative vision+language tasks, such as Visual Question Answering, visual entailment and captioning, and demonstrate large gains over standard pre-training methods.

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.

Pretrained Transformers achieve remarkable performance when training and test data are from the same distribution. However, in real-world scenarios, the model often faces out-of-distribution (OOD) instances that can cause severe semantic shift problems at inference time. Therefore, in practice, a reliable model should identify such instances, and then either reject them during inference or pass them over to models that handle another distribution. In this paper, we develop an unsupervised OOD detection method, in which only the in-distribution (ID) data are used in training. We propose to fine-tune the Transformers with a contrastive loss, which improves the compactness of representations, such that OOD instances can be better differentiated from ID ones. These OOD instances can then be accurately detected using the Mahalanobis distance in the model's penultimate layer. We experiment with comprehensive settings and achieve near-perfect OOD detection performance, outperforming baselines drastically. We further investigate the rationales behind the improvement, finding that more compact representations through margin-based contrastive learning bring the improvement. We release our code to the community for future research.

It is notoriously difficult to train Transformers on small datasets; typically, large pre-trained models are instead used as the starting point. We explore the weights of such pre-trained Transformers (particularly for vision) to attempt to find reasons for this discrepancy. Surprisingly, we find that simply initializing the weights of self-attention layers so that they "look" more like their pre-trained counterparts allows us to train vanilla Transformers faster and to higher final accuracies, particularly on vision tasks such as CIFAR-10 and ImageNet classification, where we see gains in accuracy of over 5% and 4%, respectively. Our initialization scheme is closed form, learning-free, and very simple: we set the product of the query and key weights to be approximately the identity, and the product of the value and projection weights to approximately the negative identity. As this mimics the patterns we saw in pre-trained Transformers, we call the technique "mimetic initialization".

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

Recently, diffusion transformers have gained wide attention with its excellent performance in text-to-image and text-to-vidoe models, emphasizing the need for transformers as backbone for diffusion models. Transformer-based models have shown better generalization capability compared to CNN-based models for general vision tasks. However, much less has been explored in the existing literature regarding the capabilities of transformer-based diffusion backbones and expanding their generative prowess to other datasets. This paper focuses on enabling a single pre-trained diffusion transformer model to scale across multiple datasets swiftly, allowing for the completion of diverse generative tasks using just one model. To this end, we propose DiffScaler, an efficient scaling strategy for diffusion models where we train a minimal amount of parameters to adapt to different tasks. In particular, we learn task-specific transformations at each layer by incorporating the ability to utilize the learned subspaces of the pre-trained model, as well as the ability to learn additional task-specific subspaces, which may be absent in the pre-training dataset. As these parameters are independent, a single diffusion model with these task-specific parameters can be used to perform multiple tasks simultaneously. Moreover, we find that transformer-based diffusion models significantly outperform CNN-based diffusion models methods while performing fine-tuning over smaller datasets. We perform experiments on four unconditional image generation datasets. We show that using our proposed method, a single pre-trained model can scale up to perform these conditional and unconditional tasks, respectively, with minimal parameter tuning while performing as close as fine-tuning an entire diffusion model for that particular task.

Although the Transformer is currently the best-performing architecture in the homogeneous configuration (self-attention only) in Neural Machine Translation, many State-of-the-Art models in Natural Language Processing are made of a combination of different Deep Learning approaches. However, these models often focus on combining a couple of techniques only and it is unclear why some methods are chosen over others. In this work, we investigate the effectiveness of integrating an increasing number of heterogeneous methods. Based on a simple combination strategy and performance-driven synergy criteria, we designed the Multi-Encoder Transformer, which consists of up to five diverse encoders. Results showcased that our approach can improve the quality of the translation across a variety of languages and dataset sizes and it is particularly effective in low-resource languages where we observed a maximum increase of 7.16 BLEU compared to the single-encoder model.

Large Language Models (LLMs) have so far impressed the world, with unprecedented capabilities that emerge in models at large scales. On the vision side, transformer models (i.e., ViT) are following the same trend, achieving the best performance on challenging benchmarks. With the abundance of such unimodal models, a natural question arises; do we need also to follow this trend to tackle multimodal tasks? In this work, we propose to rather direct effort to efficient adaptations of existing models, and propose to augment Language Models with perception. Existing approaches for adapting pretrained models for vision-language tasks still rely on several key components that hinder their efficiency. In particular, they still train a large number of parameters, rely on large multimodal pretraining, use encoders (e.g., CLIP) trained on huge image-text datasets, and add significant inference overhead. In addition, most of these approaches have focused on Zero-Shot and In Context Learning, with little to no effort on direct finetuning. We investigate the minimal computational effort needed to adapt unimodal models for multimodal tasks and propose a new challenging setup, alongside different approaches, that efficiently adapts unimodal pretrained models. We show that by freezing more than 99\% of total parameters, training only one linear projection layer, and prepending only one trainable token, our approach (dubbed eP-ALM) significantly outperforms other baselines on VQA and Captioning across Image, Video, and Audio modalities, following the proposed setup. The code will be available here: https://github.com/mshukor/eP-ALM.

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.

Transformers are arguably the preferred architecture for language generation. In this paper, inspired by continued fractions, we introduce a new function class for generative modeling. The architecture family implementing this function class is named CoFrGeNets - Continued Fraction Generative Networks. We design novel architectural components based on this function class that can replace Multi-head Attention and Feed-Forward Networks in Transformer blocks while requiring much fewer parameters. We derive custom gradient formulations to optimize the proposed components more accurately and efficiently than using standard PyTorch-based gradients. Our components are a plug-in replacement requiring little change in training or inference procedures that have already been put in place for Transformer-based models thus making our approach easy to incorporate in large industrial workflows. We experiment on two very different transformer architectures GPT2-xl (1.5B) and Llama3 (3.2B), where the former we pre-train on OpenWebText and GneissWeb, while the latter we pre-train on the docling data mix which consists of nine different datasets. Results show that the performance on downstream classification, Q\& A, reasoning and text understanding tasks of our models is competitive and sometimes even superior to the original models with 2{3} to 1{2} the parameters and shorter pre-training time. We believe that future implementations customized to hardware will further bring out the true potential of our architectures.

Large language models, which are often trained for hundreds of thousands of compute days, have shown remarkable capabilities for zero- and few-shot learning. Given their computational cost, these models are difficult to replicate without significant capital. For the few that are available through APIs, no access is granted to the full model weights, making them difficult to study. We present Open Pre-trained Transformers (OPT), a suite of decoder-only pre-trained transformers ranging from 125M to 175B parameters, which we aim to fully and responsibly share with interested researchers. We show that OPT-175B is comparable to GPT-3, while requiring only 1/7th the carbon footprint to develop. We are also releasing our logbook detailing the infrastructure challenges we faced, along with code for experimenting with all of the released models.

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.

Recently, the success of pre-training in text domain has been fully extended to vision, audio, and cross-modal scenarios. The proposed pre-training models of different modalities are showing a rising trend of homogeneity in their model structures, which brings the opportunity to implement different pre-training models within a uniform framework. In this paper, we present TencentPretrain, a toolkit supporting pre-training models of different modalities. The core feature of TencentPretrain is the modular design. The toolkit uniformly divides pre-training models into 5 components: embedding, encoder, target embedding, decoder, and target. As almost all of common modules are provided in each component, users can choose the desired modules from different components to build a complete pre-training model. The modular design enables users to efficiently reproduce existing pre-training models or build brand-new one. We test the toolkit on text, vision, and audio benchmarks and show that it can match the performance of the original implementations.

Heterogeneous Face Recognition (HFR) addresses the challenge of matching face images across different sensing modalities, such as thermal to visible or near-infrared to visible, expanding the applicability of face recognition systems in real-world, unconstrained environments. While recent HFR methods have shown promising results, many rely on computation-intensive architectures, limiting their practicality for deployment on resource-constrained edge devices. In this work, we present a lightweight yet effective HFR framework by adapting a hybrid CNN-Transformer architecture originally designed for face recognition. Our approach enables efficient end-to-end training with minimal paired heterogeneous data while preserving strong performance on standard RGB face recognition tasks. This makes it a compelling solution for both homogeneous and heterogeneous scenarios. Extensive experiments across multiple challenging HFR and face recognition benchmarks demonstrate that our method consistently outperforms state-of-the-art approaches while maintaining a low computational overhead.

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.

The ever-growing diversity of pre-training text corpora has equipped language models with generalization capabilities across various downstream tasks. However, such diverse datasets are often too large for academic budgets; hence, most research on Transformer architectures, training procedures, optimizers, etc. gets conducted on smaller, homogeneous datasets. To this end, we present The MiniPile Challenge, where one pre-trains a language model on a diverse text corpus containing at most 1M documents. MiniPile is a 6GB subset of the deduplicated 825GB The Pile corpus. To curate MiniPile, we perform a simple, three-step data filtering process: we (1) infer embeddings for all documents of the Pile, (2) cluster the embedding space using k-means, and (3) filter out low-quality clusters. To verify MiniPile's suitability for language model pre-training, we use it to pre-train a BERT and T5 model, yielding a performance drop of only 1.9%/2.5% on the GLUE and SNI benchmarks compared to the original pre-trained checkpoints trained on 2.6x/745x the amount of data. MiniPile is available at https://huggingface.co/datasets/JeanKaddour/minipile.

We study the pre-train + fine-tune strategy for data-to-text tasks. Our experiments indicate that text-to-text pre-training in the form of T5, enables simple, end-to-end transformer based models to outperform pipelined neural architectures tailored for data-to-text generation, as well as alternative language model based pre-training techniques such as BERT and GPT-2. Importantly, T5 pre-training leads to better generalization, as evidenced by large improvements on out-of-domain test sets. We hope our work serves as a useful baseline for future research, as transfer learning becomes ever more prevalent for data-to-text tasks.

Pre-trained encoder-decoder transformer architectures have become increasingly popular recently with the advent of T5 models. T5 has also become more favorable over other architectures like BERT due to the amount of data that it is pre-trained on, increased scale of model parameter sizes and easy applicability to a diverse set of tasks due to the generative nature of the model. While being able to generalize to a wide variety of tasks, it is not clear that encoder-decoder architectures are the most efficient for fine-tuning tasks that don't require auto-regressive decoding. In this work, we study fine-tuning pre-trained encoder-decoder models for tasks such as classification, multi-label classification, and structured prediction. We propose EncT5, a framework for these problems, and illustrate instantiations for these tasks. Our experiment results show that EncT5 has advantages over T5 such as efficiency and usability out performs BERT when evaluated on publicly available pre-trained checkpoints.

Vision-Language Models(VLMs) excel at autoregressive text generation, yet end-to-end autonomous driving requires multi-task learning with structured outputs and heterogeneous decoding behaviors, such as autoregressive language generation, parallel object detection and trajectory regression. To accommodate these differences, existing systems typically introduce separate or cascaded decoders, resulting in architectural fragmentation and limited backbone reuse. In this work, we present a unified autonomous driving framework built upon a pretrained VLM, where heterogeneous decoding behaviors are reconciled within a single transformer decoder. We demonstrate that pretrained VLM attention exhibits strong transferability beyond pure language modeling. By organizing visual and structured query tokens within a single causal decoder, structured queries can naturally condition on visual context through the original attention mechanism. Textual and structured outputs share a common attention backbone, enabling stable joint optimization across heterogeneous tasks. Trajectory planning is realized within the same causal LLM decoder by introducing structured trajectory queries. This unified formulation enables planning to share the pretrained attention backbone with images and perception tokens. Extensive experiments on end-to-end autonomous driving benchmarks demonstrate state-of-the-art performance, including 0.28 L2 and 0.18 collision rate on nuScenes open-loop evaluation and competitive results (86.8 PDMS) on NAVSIM closed-loop evaluation. The full model preserves multi-modal generation capability, while an efficient inference mode achieves approximately 40% lower latency. Code and models are available at https://github.com/Z1zyw/OneDrive

Pre-trained Transformers (\eg BERT) have been commonly used in existing dense retrieval methods for parameter initialization, and recent studies are exploring more effective pre-training tasks for further improving the quality of dense vectors. Although various novel and effective tasks have been proposed, their different input formats and learning objectives make them hard to be integrated for jointly improving the model performance. In this work, we aim to unify a variety of pre-training tasks into the bottlenecked masked autoencoder manner, and integrate them into a multi-task pre-trained model, namely MASTER. Concretely, MASTER utilizes a shared-encoder multi-decoder architecture that can construct a representation bottleneck to compress the abundant semantic information across tasks into dense vectors. Based on it, we integrate three types of representative pre-training tasks: corrupted passages recovering, related passages recovering and PLMs outputs recovering, to characterize the inner-passage information, inter-passage relations and PLMs knowledge. Extensive experiments have shown that our approach outperforms competitive dense retrieval methods. Our code and data are publicly released in https://github.com/microsoft/SimXNS.

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.

Transformer-based pre-trained language models are vocabulary-dependent, mapping by default each token to its corresponding embedding. This one-to-one mapping results into embedding matrices that occupy a lot of memory (i.e. millions of parameters) and grow linearly with the size of the vocabulary. Previous work on on-device transformers dynamically generate token embeddings on-the-fly without embedding matrices using locality-sensitive hashing over morphological information. These embeddings are subsequently fed into transformer layers for text classification. However, these methods are not pre-trained. Inspired by this line of work, we propose HashFormers, a new family of vocabulary-independent pre-trained transformers that support an unlimited vocabulary (i.e. all possible tokens in a corpus) given a substantially smaller fixed-sized embedding matrix. We achieve this by first introducing computationally cheap hashing functions that bucket together individual tokens to embeddings. We also propose three variants that do not require an embedding matrix at all, further reducing the memory requirements. We empirically demonstrate that HashFormers are more memory efficient compared to standard pre-trained transformers while achieving comparable predictive performance when fine-tuned on multiple text classification tasks. For example, our most efficient HashFormer variant has a negligible performance degradation (0.4\% on GLUE) using only 99.1K parameters for representing the embeddings compared to 12.3-38M parameters of state-of-the-art models.

Self-attention serves as the core foundation of large-scale transformer pretraining, but its quadratic token interaction cost makes inference expensive. Replacing attention with simpler sequential modules is appealing, yet naive substitution is often lossy, especially at larger scales. This paper revisits attention replacement through the lens of sparsity. Based on the observation of diverse sparsity patterns across transformer layers, we posit that pretrained transformers decompose the complex token dependency across tokens into various sequence-to-sequence mappings of diverse complexities, where some layer functionalities can be approximated and replaced with much simpler sequential modules without loss. We evaluate this premise using a plug-and-play layer-wise distillation framework to approximate and replace attention functionalities in pretrained vision transformer models. Controlled group-wise replacements under a fixed training budget reveal a clear pattern: substituting layers with sparser attention incurs substantially smaller accuracy drops than replacing denser ones. We further impose explicit attention sparsity on the pretrained ViT via AViT-style token retention and perform sparsity-guided distillation for sequential replacing models, where we see increasing teacher sparsity consistently reduces the student-teacher gap. The proposed method achieves efficient attention replacement for reduced parameter size and latency through the guidance of attention sparsity.

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.

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.

As transformer evolves, pre-trained models have advanced at a breakneck pace in recent years. They have dominated the mainstream techniques in natural language processing (NLP) and computer vision (CV). How to adapt pre-training to the field of Vision-and-Language (V-L) learning and improve downstream task performance becomes a focus of multimodal learning. In this paper, we review the recent progress in Vision-Language Pre-Trained Models (VL-PTMs). As the core content, we first briefly introduce several ways to encode raw images and texts to single-modal embeddings before pre-training. Then, we dive into the mainstream architectures of VL-PTMs in modeling the interaction between text and image representations. We further present widely-used pre-training tasks, and then we introduce some common downstream tasks. We finally conclude this paper and present some promising research directions. Our survey aims to provide researchers with synthesis and pointer to related research.

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.

Large-scale pre-trained transformers have demonstrated remarkable success in various computer vision tasks. However, it is still highly challenging to fully fine-tune these models for downstream tasks due to their high computational and storage costs. Recently, Parameter-Efficient Tuning (PETuning) techniques, e.g., Visual Prompt Tuning (VPT) and Low-Rank Adaptation (LoRA), have significantly reduced the computation and storage cost by inserting lightweight prompt modules into the pre-trained models and tuning these prompt modules with a small number of trainable parameters, while keeping the transformer backbone frozen. Although only a few parameters need to be adjusted, most PETuning methods still require a significant amount of downstream task training data to achieve good results. The performance is inadequate on low-data regimes, especially when there are only one or two examples per class. To this end, we first empirically identify the poor performance is mainly due to the inappropriate way of initializing prompt modules, which has also been verified in the pre-trained language models. Next, we propose a Pre-trained Visual Parameter-efficient (PVP) Tuning framework, which pre-trains the parameter-efficient tuning modules first and then leverages the pre-trained modules along with the pre-trained transformer backbone to perform parameter-efficient tuning on downstream tasks. Experiment results on five Fine-Grained Visual Classification (FGVC) and VTAB-1k datasets demonstrate that our proposed method significantly outperforms state-of-the-art PETuning methods.

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.

Predicting simple function classes has been widely used as a testbed for developing theory and understanding of the trained Transformer's in-context learning (ICL) ability. In this paper, we revisit the training of Transformers on linear regression tasks, and different from all the existing literature, we consider a bi-objective prediction task of predicting both the conditional expectation E[Y|X] and the conditional variance Var(Y|X). This additional uncertainty quantification objective provides a handle to (i) better design out-of-distribution experiments to distinguish ICL from in-weight learning (IWL) and (ii) make a better separation between the algorithms with and without using the prior information of the training distribution. Theoretically, we show that the trained Transformer reaches near Bayes-optimum, suggesting the usage of the information of the training distribution. Our method can be extended to other cases. Specifically, with the Transformer's context window S, we prove a generalization bound of mathcal{O}(min{S, T/(n T)}) on n tasks with sequences of length T, providing sharper analysis compared to previous results of mathcal{O}(1/n). Empirically, we illustrate that while the trained Transformer behaves as the Bayes-optimal solution as a natural consequence of supervised training in distribution, it does not necessarily perform a Bayesian inference when facing task shifts, in contrast to the equivalence between these two proposed in many existing literature. We also demonstrate the trained Transformer's ICL ability over covariates shift and prompt-length shift and interpret them as a generalization over a meta distribution.

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.

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.

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).

Training large transformer models from scratch for a target task requires lots of data and is computationally demanding. The usual practice of transfer learning overcomes this challenge by initializing the model with weights of a pretrained model of the same size and specification to increase the convergence and training speed. However, what if no pretrained model of the required size is available? In this paper, we introduce a simple yet effective technique to transfer the knowledge of a pretrained model to smaller variants. Our approach called weight subcloning expedites the training of scaled-down transformers by initializing their weights from larger pretrained models. Weight subcloning involves an operation on the pretrained model to obtain the equivalent initialized scaled-down model. It consists of two key steps: first, we introduce neuron importance ranking to decrease the embedding dimension per layer in the pretrained model. Then, we remove blocks from the transformer model to match the number of layers in the scaled-down network. The result is a network ready to undergo training, which gains significant improvements in training speed compared to random initialization. For instance, we achieve 4x faster training for vision transformers in image classification and language models designed for next token prediction.

Pre-training Transformers has shown promising results on open-domain and domain-specific downstream tasks. However, state-of-the-art Transformers require an unreasonably large amount of pre-training data and compute. In this paper, we propose FPDM (Fast Pre-training Technique using Document Level Metadata), a novel, compute-efficient framework that utilizes Document metadata and Domain-Specific Taxonomy as supervision signals to pre-train transformer encoder on a domain-specific corpus. The main innovation is that during domain-specific pretraining, an open-domain encoder is continually pre-trained using sentence-level embeddings as inputs (to accommodate long documents), however, fine-tuning is done with token-level embeddings as inputs to this encoder. We show that FPDM outperforms several transformer-based baselines in terms of character-level F1 scores and other automated metrics in the Customer Support, Scientific, and Legal Domains, and shows a negligible drop in performance on open-domain benchmarks. Importantly, the novel use of document-level supervision along with sentence-level embedding input for pre-training reduces pre-training compute by around 1,000, 4,500, and 500 times compared to MLM and/or NSP in Customer Support, Scientific, and Legal Domains, respectively. Code and datasets are available at https://bit.ly/FPDMCode.

SGD performs worse than Adam by a significant margin on Transformers, but the reason remains unclear. In this work, we provide an explanation of SGD's failure on Transformers through the lens of Hessian: (i) Transformers are ``heterogeneous'': the Hessian spectrum across parameter blocks vary dramatically, a phenomenon we call ``block heterogeneity"; (ii) Heterogeneity hampers SGD: SGD performs badly on problems with block heterogeneity. To validate that heterogeneity hampers SGD, we check various Transformers, CNNs, MLPs, and quadratic problems, and find that SGD works well on problems without block heterogeneity but performs badly when the heterogeneity exists. Our initial theoretical analysis indicates that SGD fails because it applies one single learning rate for all blocks, which cannot handle the heterogeneity among blocks. The failure could be rescued if we could assign different learning rates across blocks, as designed in Adam.

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.

Mainstream Video-Language Pre-training models actbert,clipbert,violet consist of three parts, a video encoder, a text encoder, and a video-text fusion Transformer. They pursue better performance via utilizing heavier unimodal encoders or multimodal fusion Transformers, resulting in increased parameters with lower efficiency in downstream tasks. In this work, we for the first time introduce an end-to-end video-language model, namely all-in-one Transformer, that embeds raw video and textual signals into joint representations using a unified backbone architecture. We argue that the unique temporal information of video data turns out to be a key barrier hindering the design of a modality-agnostic Transformer. To overcome the challenge, we introduce a novel and effective token rolling operation to encode temporal representations from video clips in a non-parametric manner. The careful design enables the representation learning of both video-text multimodal inputs and unimodal inputs using a unified backbone model. Our pre-trained all-in-one Transformer is transferred to various downstream video-text tasks after fine-tuning, including text-video retrieval, video-question answering, multiple choice and visual commonsense reasoning. State-of-the-art performances with the minimal model FLOPs on nine datasets demonstrate the superiority of our method compared to the competitive counterparts. The code and pretrained model have been released in https://github.com/showlab/all-in-one.

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

Existing pre-trained models are generally geared towards a particular class of problems. To date, there seems to be still no consensus on what the right architecture and pre-training setup should be. This paper presents a unified framework for pre-training models that are universally effective across datasets and setups. We begin by disentangling architectural archetypes with pre-training objectives -- two concepts that are commonly conflated. Next, we present a generalized & unified perspective for self-supervision in NLP and show how different pre-training objectives can be cast as one another and how interpolating between different objectives can be effective. We then propose Mixture-of-Denoisers (MoD), a pre-training objective that combines diverse pre-training paradigms together. We furthermore introduce a notion of mode switching, wherein downstream fine-tuning is associated with specific pre-training schemes. We conduct extensive ablative experiments to compare multiple pre-training objectives and find that our method pushes the Pareto-frontier by outperforming T5 & GPT-like models across multiple diverse setups. By scaling our model up to 20B parameters, we achieve SOTA performance on 50 well-established supervised finetuning based NLP tasks. Our model also achieve strong results at in-context learning, outperforming 175B GPT-3 on zero-shot SuperGLUE and tripling the performance of T5-XXL on one-shot summarization. On 0-shot MMLU, UL2 20B outperforms T0 and T5 models. UL2 20B also works well with chain-of-thought prompting and reasoning, making it an appealing choice for research into reasoning at a small to medium scale of 20B parameters. Finally, we apply FLAN instruction tuning to the UL2 20B model, achieving MMLU and Big-Bench scores competitive to FLAN-PaLM 62B. We release Flax-based T5X checkpoints for the UL2 20B & Flan-UL2 20B.

The current paradigm of large-scale pre-training and fine-tuning Transformer large language models has lead to significant improvements across the board in natural language processing. However, such large models are susceptible to overfitting to their training data, and as a result the models perform poorly when the domain changes. Also, due to the model's scale, the cost of fine-tuning the model to the new domain is large. Nonparametric Variational Information Bottleneck (NVIB) has been proposed as a regulariser for training cross-attention in Transformers, potentially addressing the overfitting problem. We extend the NVIB framework to replace all types of attention functions in Transformers, and show that existing pretrained Transformers can be reinterpreted as Nonparametric Variational (NV) models using a proposed identity initialisation. We then show that changing the initialisation introduces a novel, information-theoretic post-training regularisation in the attention mechanism, which improves out-of-domain generalisation without any training. This success supports the hypothesis that pretrained Transformers are implicitly NV Bayesian models.

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.

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.

This paper introduces a novel modification of the transformer architecture, tailored for the data-efficient pretraining of language models. This aspect is evaluated by participating in the BabyLM challenge, where our solution won both the strict and strict-small tracks. Our approach allows each transformer layer to select which outputs of previous layers to process. The empirical results verify the potential of this simple modification and show that not all layers are equally as important.

Spatiotemporal predictive learning methods generally fall into two categories: recurrent-based approaches, which face challenges in parallelization and performance, and recurrent-free methods, which employ convolutional neural networks (CNNs) as encoder-decoder architectures. These methods benefit from strong inductive biases but often at the expense of scalability and generalization. This paper proposes PredFormer, a pure transformer-based framework for spatiotemporal predictive learning. Motivated by the Vision Transformers (ViT) design, PredFormer leverages carefully designed Gated Transformer blocks, following a comprehensive analysis of 3D attention mechanisms, including full-, factorized-, and interleaved-spatial-temporal attention. With its recurrent-free, transformer-based design, PredFormer is both simple and efficient, significantly outperforming previous methods by large margins. Extensive experiments on synthetic and real-world datasets demonstrate that PredFormer achieves state-of-the-art performance. On Moving MNIST, PredFormer achieves a 51.3% reduction in MSE relative to SimVP. For TaxiBJ, the model decreases MSE by 33.1% and boosts FPS from 533 to 2364. Additionally, on WeatherBench, it reduces MSE by 11.1% while enhancing FPS from 196 to 404. These performance gains in both accuracy and efficiency demonstrate PredFormer's potential for real-world applications. The source code will be released at https://github.com/yyyujintang/PredFormer .

Learning with large-scale unlabeled data has become a powerful tool for pre-training Visual Transformers (VTs). However, prior works tend to overlook that, in real-world scenarios, the input data may be corrupted and unreliable. Pre-training VTs on such corrupted data can be challenging, especially when we pre-train via the masked autoencoding approach, where both the inputs and masked ``ground truth" targets can potentially be unreliable in this case. To address this limitation, we introduce the Token Boosting Module (TBM) as a plug-and-play component for VTs that effectively allows the VT to learn to extract clean and robust features during masked autoencoding pre-training. We provide theoretical analysis to show how TBM improves model pre-training with more robust and generalizable representations, thus benefiting downstream tasks. We conduct extensive experiments to analyze TBM's effectiveness, and results on four corrupted datasets demonstrate that TBM consistently improves performance on downstream tasks.

Inspired by recent work demonstrating the promise of smaller Transformer-based language models pretrained on carefully curated data, we supercharge such approaches by investing heavily in curating a novel, high quality, non-synthetic data mixture based solely on evaluation benchmarks. Using our novel dataset mixture consisting of less than 100 thousand tokens, we pretrain a 1 million parameter transformer-based LLM phi-CTNL (pronounced ``fictional") that achieves perfect results across diverse academic benchmarks, strictly outperforming all known foundation models. phi-CTNL also beats power-law scaling and exhibits a never-before-seen grokking-like ability to accurately predict downstream evaluation benchmarks' canaries.

Language model based pre-trained models such as BERT have provided significant gains across different NLP tasks. In this paper, we study different types of transformer based pre-trained models such as auto-regressive models (GPT-2), auto-encoder models (BERT), and seq2seq models (BART) for conditional data augmentation. We show that prepending the class labels to text sequences provides a simple yet effective way to condition the pre-trained models for data augmentation. Additionally, on three classification benchmarks, pre-trained Seq2Seq model outperforms other data augmentation methods in a low-resource setting. Further, we explore how different pre-trained model based data augmentation differs in-terms of data diversity, and how well such methods preserve the class-label information.

Transformers have impressive generalization capabilities on tasks with a fixed context length. However, they fail to generalize to sequences of arbitrary length, even for seemingly simple tasks such as duplicating a string. Moreover, simply training on longer sequences is inefficient due to the quadratic computation complexity of the global attention mechanism. In this work, we demonstrate that this failure mode is linked to positional encodings being out-of-distribution for longer sequences (even for relative encodings) and introduce a novel family of positional encodings that can overcome this problem. Concretely, our randomized positional encoding scheme simulates the positions of longer sequences and randomly selects an ordered subset to fit the sequence's length. Our large-scale empirical evaluation of 6000 models across 15 algorithmic reasoning tasks shows that our method allows Transformers to generalize to sequences of unseen length (increasing test accuracy by 12.0% on average).

Large pre-trained Transformer models achieve state-of-the-art results across diverse language and reasoning tasks, but full fine-tuning incurs substantial storage, memory, and computational overhead. Parameter-efficient fine-tuning (PEFT) methods mitigate these costs by learning only a small subset of task-specific parameters, yet existing approaches either introduce inference-time latency (adapter modules), suffer from suboptimal convergence (randomly initialized low-rank updates), or rely on fixed rank choices that may not match task complexity (Kronecker-based decompositions). We propose SoKA (SVD on Kronecker Adaptation), a novel PEFT strategy that combines Kronecker-product tensor factorization with SVD-driven initialization and spectrum-aware dynamic rank selection. Our Kronecker-Product SVD (KPSVD) procedure extracts principal components of the full weight update into compact Kronecker factors, while an adaptive rank selection algorithm uses energy-threshold and elbow-point criteria to prune negligible components. Empirical evaluation on LLaMA2-7B across arithmetic reasoning (GSM8K), formal mathematics (MATH), and code generation (MBPP) demonstrates that SoKA requires only 0.99M trainable parameters, 25% fewer than LoRA/PiSSA, while matching or exceeding baseline performance. Moreover, SoKA exhibits faster convergence and more stable gradients, highlighting its robustness and efficiency for large-scale model adaptation.

Transformer-based large language models (LLMs) exhibit impressive performance in generative tasks but introduce significant challenges in real-world serving due to inefficient use of the expensive, computation-optimized accelerators. This mismatch arises from the autoregressive nature of LLMs, where the generation phase comprises operators with varying resource demands. Specifically, the attention operator is memory-intensive, exhibiting a memory access pattern that clashes with the strengths of modern accelerators, especially as context length increases. To enhance the efficiency and cost-effectiveness of LLM serving, we introduce the concept of attention offloading. This approach leverages a collection of cheap, memory-optimized devices for the attention operator while still utilizing high-end accelerators for other parts of the model. This heterogeneous setup ensures that each component is tailored to its specific workload, maximizing overall performance and cost efficiency. Our comprehensive analysis and experiments confirm the viability of splitting the attention computation over multiple devices. Also, the communication bandwidth required between heterogeneous devices proves to be manageable with prevalent networking technologies. To further validate our theory, we develop Lamina, an LLM inference system that incorporates attention offloading. Experimental results indicate that Lamina can provide 1.48x-12.1x higher estimated throughput per dollar than homogeneous solutions.

Long-context understanding is crucial for many NLP applications, yet transformers struggle with efficiency due to the quadratic complexity of self-attention. Sparse attention methods alleviate this cost but often impose static, predefined masks, failing to capture heterogeneous attention patterns. This results in suboptimal token interactions, limiting adaptability and retrieval accuracy in long-sequence tasks. This work introduces a dynamic sparse attention mechanism that assigns adaptive masks at the attention-map level, preserving heterogeneous patterns across layers and heads. Unlike existing approaches, our method eliminates the need for fine-tuning and predefined mask structures while maintaining computational efficiency. By learning context-aware attention structures, it achieves high alignment with full-attention models, ensuring minimal performance degradation while reducing memory and compute overhead. This approach provides a scalable alternative to full attention, enabling the practical deployment of large-scale Large Language Models (LLMs) without sacrificing retrieval performance. DAM is available at: https://github.com/HanzhiZhang-Ulrica/DAM.

Transformers show remarkable versatility across domains, suggesting the existence of inductive biases beneficial across modalities. In this work, we explore a new way to instil such generic biases in vision transformers (ViTs) by pretraining on procedurally-generated data devoid of visual or semantic content. We generate this data with simple algorithms such as formal grammars, so the results bear no relationship to either natural or synthetic images. We use this procedurally-generated data to pretrain ViTs in a warm-up phase that bypasses their visual patch embedding mechanisms, thus encouraging the models to internalise abstract computational priors. When followed by standard image-based training, this warm-up significantly improves data efficiency, convergence speed, and downstream performance. On ImageNet-1k for example, allocating just 1% of the training budget to procedural data improves final accuracy by over 1.7%. In terms of its effect on performance, 1% procedurally generated data is thus equivalent to 28% of the ImageNet-1k data. These findings suggest a promising path toward new data-efficient and domain-agnostic pretraining strategies.

In deep learning, models typically reuse the same parameters for all inputs. Mixture of Experts (MoE) defies this and instead selects different parameters for each incoming example. The result is a sparsely-activated model -- with outrageous numbers of parameters -- but a constant computational cost. However, despite several notable successes of MoE, widespread adoption has been hindered by complexity, communication costs and training instability -- we address these with the Switch Transformer. We simplify the MoE routing algorithm and design intuitive improved models with reduced communication and computational costs. Our proposed training techniques help wrangle the instabilities and we show large sparse models may be trained, for the first time, with lower precision (bfloat16) formats. We design models based off T5-Base and T5-Large to obtain up to 7x increases in pre-training speed with the same computational resources. These improvements extend into multilingual settings where we measure gains over the mT5-Base version across all 101 languages. Finally, we advance the current scale of language models by pre-training up to trillion parameter models on the "Colossal Clean Crawled Corpus" and achieve a 4x speedup over the T5-XXL model.

Pretrained transformer models have achieved state-of-the-art results in many tasks and benchmarks recently. Many state-of-the-art Language Models (LMs), however, do not scale well above the threshold of 512 input tokens. In specialized domains though (such as legal, scientific or biomedical), models often need to process very long text (sometimes well above 10000 tokens). Even though many efficient transformers have been proposed (such as Longformer, BigBird or FNet), so far, only very few such efficient models are available for specialized domains. Additionally, since the pretraining process is extremely costly in general - but even more so as the sequence length increases - it is often only in reach of large research labs. One way of making pretraining cheaper is the Replaced Token Detection (RTD) task, by providing more signal during training, since the loss can be computed over all tokens. In this work, we train Longformer models with the efficient RTD task on legal data to showcase that pretraining efficient LMs is possible using much less compute. We evaluate the trained models on challenging summarization tasks requiring the model to summarize long texts to show to what extent the models can achieve good performance on downstream tasks. We find that both the small and base models outperform their baselines on the in-domain BillSum and out-of-domain PubMed tasks in their respective parameter range. We publish our code and models for research purposes.

Graph pre-training has achieved remarkable success in recent years, delivering transferable representations for downstream adaptation. However, most existing methods are designed for either homogeneous or heterogeneous graphs, thereby hindering unified graph modeling across diverse graph types. This separation contradicts real-world applications, where mixed homogeneous and heterogeneous graphs are ubiquitous, and distribution shifts between upstream pre-training and downstream deployment are common. In this paper, we empirically demonstrate that a balanced mixture of homogeneous and heterogeneous graph pre-training benefits downstream tasks and propose a unified multi-domain Graph Pre-training method across Homogeneous and Heterogeneous graphs (GPH^{2}). To address the lack of a unified encoder for homogeneous and heterogeneous graphs, we propose a Unified Multi-View Graph Construction that simultaneously encodes both without explicit graph-type-specific designs. To cope with the increased cross-domain distribution discrepancies arising from mixed graphs, we introduce domain-specific expert encoding. Each expert is independently pre-trained on a single graph to capture domain-specific knowledge, thereby shielding the pre-training encoder from the adverse effects of cross-domain discrepancies. For downstream tasks, we further design a Task-oriented Expert Fusion Strategy that adaptively integrates multiple experts based on their discriminative strengths. Extensive experiments on mixed graphs demonstrate that GPH^{2} enables stable transfer across graph types and domains, significantly outperforming existing graph pre-training methods.

Diversity has been gaining interest in the NLP community in recent years. At the same time, state-of-the-art transformer models such as ModernBERT use very large pre-training datasets, which are driven by size rather than by diversity. This summons for an investigation of the impact of diversity on the ModernBERT pre-training. We do so in this study, with the express intent of reducing pre-training dataset size, while retaining at least comparable performance. We compare diversity-driven sampling algorithms, so as to pick the best one. We find that diversity-driven sampling allows in some tasks to gain 10 points relative to randomly-sampled pre-training data of commensurate size. We also see that a model pre-trained for 483h on a diversity-driven dataset of 150M tokens can yield a commensurate performance to a model pre-trained for 1,775h on a randomly-driven dataset of 2.4B tokens.

Modern object detectors have taken the advantages of backbone networks pre-trained on large scale datasets. Except for the backbone networks, however, other components such as the detector head and the feature pyramid network (FPN) remain trained from scratch, which hinders fully tapping the potential of representation models. In this study, we propose to integrally migrate pre-trained transformer encoder-decoders (imTED) to a detector, constructing a feature extraction path which is ``fully pre-trained" so that detectors' generalization capacity is maximized. The essential differences between imTED with the baseline detector are twofold: (1) migrating the pre-trained transformer decoder to the detector head while removing the randomly initialized FPN from the feature extraction path; and (2) defining a multi-scale feature modulator (MFM) to enhance scale adaptability. Such designs not only reduce randomly initialized parameters significantly but also unify detector training with representation learning intendedly. Experiments on the MS COCO object detection dataset show that imTED consistently outperforms its counterparts by sim2.4 AP. Without bells and whistles, imTED improves the state-of-the-art of few-shot object detection by up to 7.6 AP. Code is available at https://github.com/LiewFeng/imTED.

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.

Mixture of Experts (MoE) offers remarkable performance and computational efficiency by selectively activating subsets of model parameters. Traditionally, MoE models use homogeneous experts, each with identical capacity. However, varying complexity in input data necessitates experts with diverse capabilities, while homogeneous MoE hinders effective expert specialization and efficient parameter utilization. In this study, we propose a novel Heterogeneous Mixture of Experts (HMoE), where experts differ in size and thus possess diverse capacities. This heterogeneity allows for more specialized experts to handle varying token complexities more effectively. To address the imbalance in expert activation, we propose a novel training objective that encourages the frequent activation of smaller experts, enhancing computational efficiency and parameter utilization. Extensive experiments demonstrate that HMoE achieves lower loss with fewer activated parameters and outperforms conventional homogeneous MoE models on various pre-training evaluation benchmarks. Codes will be released upon acceptance.

The versatility of self-attention mechanism earned transformers great success in almost all data modalities, with limitations on the quadratic complexity and difficulty of training. To apply transformers across different data modalities, practitioners have to make specific clever data-modality-dependent constructions. In this paper, we propose Sampling Foundational Transformer (SFT) that can work on multiple data modalities (e.g., point cloud, graph, and sequence) and constraints (e.g., rotational-invariant). The existence of such model is important as contemporary foundational modeling requires operability on multiple data sources. For efficiency on large number of tokens, our model relies on our context aware sampling-without-replacement mechanism for both linear asymptotic computational complexity and real inference time gain. For efficiency, we rely on our newly discovered pseudoconvex formulation of transformer layer to increase model's convergence rate. As a model working on multiple data modalities, SFT has achieved competitive results on many benchmarks, while being faster in inference, compared to other very specialized models.

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.

Despite their nearly universal adoption for large language models, the internal workings of transformers are not well understood. We aim to better understand the impact of removing or reorganizing information throughout the layers of a pretrained transformer. Such an understanding could both yield better usage of existing models as well as to make architectural improvements to produce new variants. We present a series of empirical studies on frozen models that show that the lower and final layers of pretrained transformers differ from middle layers, but that middle layers have a surprising amount of uniformity. We further show that some classes of problems have robustness to skipping layers, running the layers in an order different from how they were trained, or running the layers in parallel. Our observations suggest that even frozen pretrained models may gracefully trade accuracy for latency by skipping layers or running layers in parallel.

Training large transformers is slow, but recent innovations on GPU architecture give us an advantage. NVIDIA Ampere GPUs can execute a fine-grained 2:4 sparse matrix multiplication twice as fast as its dense equivalent. In the light of this property, we comprehensively investigate the feasibility of accelerating feed-forward networks (FFNs) of transformers in pre-training. First, we define a ``flip rate'' to monitor the stability of a 2:4 training process. Utilizing this metric, we propose three techniques to preserve accuracy: to modify the sparse-refined straight-through estimator by applying the masked decay term on gradients, to determine a feasible decay factor in warm-up stage, and to enhance the model's quality by a dense fine-tuning procedure near the end of pre-training. Besides, we devise two techniques to practically accelerate training: to calculate transposable 2:4 masks by convolution, and to accelerate gated activation functions by reducing GPU L2 cache miss. Experiments show that our 2:4 sparse training algorithm achieves similar convergence to dense training algorithms on several transformer pre-training tasks, while actual acceleration can be observed on different shapes of transformer block apparently. Our toolkit is available at https://github.com/huyz2023/2by4-pretrain.

Adapting large-scale pretrained models to various downstream tasks via fine-tuning is a standard method in machine learning. Recently, parameter-efficient fine-tuning methods show promise in adapting a pretrained model to different tasks while training only a few parameters. Despite their success, most existing methods are proposed in Natural Language Processing tasks with language Transformers, and adaptation to Computer Vision tasks with Vision Transformers remains under-explored, especially for dense vision tasks. Further, in multi-task settings, individually fine-tuning and storing separate models for different tasks is inefficient. In this work, we provide an extensive multi-task parameter-efficient benchmark and examine existing parameter-efficient fine-tuning NLP methods for vision tasks. Our results on four different dense vision tasks showed that existing methods cannot be efficiently integrated due to the hierarchical nature of the Hierarchical Vision Transformers. To overcome this issue, we propose Polyhistor and Polyhistor-Lite, consisting of Decomposed HyperNetworks and Layer-wise Scaling Kernels, to share information across different tasks with a few trainable parameters. This leads to favorable performance improvements against existing parameter-efficient methods while using fewer trainable parameters. Specifically, Polyhistor achieves competitive accuracy compared to the state-of-the-art while only using ~10% of their trainable parameters. Furthermore, our methods show larger performance gains when large networks and more pretraining data are used.

Large language models can solve tasks that were not present in the training set. This capability is believed to be due to in-context learning and skill composition. In this work, we study the emergence of in-context learning and skill composition in a collection of modular arithmetic tasks. Specifically, we consider a finite collection of linear modular functions z = a , x + b , y ;mod; p labeled by the vector (a, b) in Z_p^2. We use some of these tasks for pre-training and the rest for out-of-distribution testing. We empirically show that a GPT-style transformer exhibits a transition from in-distribution to out-of-distribution generalization as the number of pre-training tasks increases. We find that the smallest model capable of out-of-distribution generalization requires two transformer blocks, while for deeper models, the out-of-distribution generalization phase is transient, necessitating early stopping. Finally, we perform an interpretability study of the pre-trained models, revealing the highly structured representations in both phases; and discuss the learnt algorithm.

There remain many open questions pertaining to the scaling behaviour of Transformer architectures. These scaling decisions and findings can be critical, as training runs often come with an associated computational cost which have both financial and/or environmental impact. The goal of this paper is to present scaling insights from pretraining and finetuning Transformers. While Kaplan et al. presents a comprehensive study of the scaling behaviour of Transformer language models, the scope is only on the upstream (pretraining) loss. Therefore, it is still unclear if these set of findings transfer to downstream task within the context of the pretrain-finetune paradigm. The key findings of this paper are as follows: (1) we show that aside from only the model size, model shape matters for downstream fine-tuning, (2) scaling protocols operate differently at different compute regions, (3) widely adopted T5-base and T5-large sizes are Pareto-inefficient. To this end, we present improved scaling protocols whereby our redesigned models achieve similar downstream fine-tuning quality while having 50\% fewer parameters and training 40\% faster compared to the widely adopted T5-base model. We publicly release over 100 pretrained checkpoints of different T5 configurations to facilitate future research and analysis.

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.

Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph neural networks (HGNNs) have achieved state-of-the-art performance by considering relation heterogeneity and using specialized message functions and aggregation rules. However, existing frameworks for heterogeneous graph learning have limitations in generalizing across diverse heterogeneous graph datasets. Most of these frameworks follow the "pre-train" and "fine-tune" paradigm on the same dataset, which restricts their capacity to adapt to new and unseen data. This raises the question: "Can we generalize heterogeneous graph models to be well-adapted to diverse downstream learning tasks with distribution shifts in both node token sets and relation type heterogeneity?'' To tackle those challenges, we propose HiGPT, a general large graph model with Heterogeneous graph instruction-tuning paradigm. Our framework enables learning from arbitrary heterogeneous graphs without the need for any fine-tuning process from downstream datasets. To handle distribution shifts in heterogeneity, we introduce an in-context heterogeneous graph tokenizer that captures semantic relationships in different heterogeneous graphs, facilitating model adaptation. We incorporate a large corpus of heterogeneity-aware graph instructions into our HiGPT, enabling the model to effectively comprehend complex relation heterogeneity and distinguish between various types of graph tokens. Furthermore, we introduce the Mixture-of-Thought (MoT) instruction augmentation paradigm to mitigate data scarcity by generating diverse and informative instructions. Through comprehensive evaluations, our proposed framework demonstrates exceptional performance in terms of generalization performance.

Transformers and their attention mechanism have been revolutionary in the field of Machine Learning. While originally proposed for the language data, they quickly found their way to the image, video, graph, etc. data modalities with various signal geometries. Despite this versatility, generalizing the attention mechanism to scenarios where data is presented at different scales from potentially different modalities is not straightforward. The attempts to incorporate hierarchy and multi-modality within transformers are largely based on ad hoc heuristics, which are not seamlessly generalizable to similar problems with potentially different structures. To address this problem, in this paper, we take a fundamentally different approach: we first propose a mathematical construct to represent multi-modal, multi-scale data. We then mathematically derive the neural attention mechanics for the proposed construct from the first principle of entropy minimization. We show that the derived formulation is optimal in the sense of being the closest to the standard Softmax attention while incorporating the inductive biases originating from the hierarchical/geometric information of the problem. We further propose an efficient algorithm based on dynamic programming to compute our derived attention mechanism. By incorporating it within transformers, we show that the proposed hierarchical attention mechanism not only can be employed to train transformer models in hierarchical/multi-modal settings from scratch, but it can also be used to inject hierarchical information into classical, pre-trained transformer models post training, resulting in more efficient models in zero-shot manner.

We propose expanding the shared Transformer module to produce and initialize Transformers of varying depths, enabling adaptation to diverse resource constraints. Drawing an analogy to genetic expansibility, we term such module as learngene. To identify the expansion mechanism, we delve into the relationship between the layer's position and its corresponding weight value, and find that linear function appropriately approximates this relationship. Building on this insight, we present Transformer as Linear Expansion of learnGene (TLEG), a novel approach for flexibly producing and initializing Transformers of diverse depths. Specifically, to learn learngene, we firstly construct an auxiliary Transformer linearly expanded from learngene, after which we train it through employing soft distillation. Subsequently, we can produce and initialize Transformers of varying depths via linearly expanding the well-trained learngene, thereby supporting diverse downstream scenarios. Extensive experiments on ImageNet-1K demonstrate that TLEG achieves comparable or better performance in contrast to many individual models trained from scratch, while reducing around 2x training cost. When transferring to several downstream classification datasets, TLEG surpasses existing initialization methods by a large margin (e.g., +6.87% on iNat 2019 and +7.66% on CIFAR-100). Under the situation where we need to produce models of varying depths adapting for different resource constraints, TLEG achieves comparable results while reducing around 19x parameters stored to initialize these models and around 5x pre-training costs, in contrast to the pre-training and fine-tuning approach. When transferring a fixed set of parameters to initialize different models, TLEG presents better flexibility and competitive performance while reducing around 2.9x parameters stored to initialize, compared to the pre-training approach.

Pre-trained language models (PLMs) have established the new paradigm in the field of NLP. For more powerful PLMs, one of the most popular and successful way is to continuously scale up sizes of the models and the pre-training corpora. These large corpora are generally obtained by converging smaller ones from multiple sources, they are thus growing increasingly diverse. However, the side-effects of these colossal converged corpora remain understudied. In this paper, we identify the disadvantage of heterogeneous corpora from multiple sources for pre-training PLMs. Towards coordinated pre-training on diverse corpora, we further propose source prompts (SP), which explicitly prompt the model of the data source at the pre-training and fine-tuning stages. Results of extensive experiments demonstrate that PLMs pre-trained with SP on diverse corpora gain significant improvement in various downstream tasks.

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.

Previous work on Universal Transformers (UTs) has demonstrated the importance of parameter sharing across layers. By allowing recurrence in depth, UTs have advantages over standard Transformers in learning compositional generalizations, but layer-sharing comes with a practical limitation of parameter-compute ratio: it drastically reduces the parameter count compared to the non-shared model with the same dimensionality. Naively scaling up the layer size to compensate for the loss of parameters makes its computational resource requirements prohibitive. In practice, no previous work has succeeded in proposing a shared-layer Transformer design that is competitive in parameter count-dominated tasks such as language modeling. Here we propose MoEUT (pronounced "moot"), an effective mixture-of-experts (MoE)-based shared-layer Transformer architecture, which combines several recent advances in MoEs for both feedforward and attention layers of standard Transformers together with novel layer-normalization and grouping schemes that are specific and crucial to UTs. The resulting UT model, for the first time, slightly outperforms standard Transformers on language modeling tasks such as BLiMP and PIQA, while using significantly less compute and memory.

Large Transformer models achieved the state-of-the-art status for Natural Language Understanding tasks and are increasingly becoming the baseline model architecture for modeling source code. Transformers are usually pre-trained on large unsupervised corpora, learning token representations and transformations relevant to modeling generally available text, and are then fine-tuned on a particular downstream task of interest. While fine-tuning is a tried-and-true method for adapting a model to a new domain -- for example, question-answering on a given topic -- generalization remains an on-going challenge. In this paper, we explore and evaluate transformer model fine-tuning for personalization. In the context of generating unit tests for Java methods, we evaluate learning to personalize to a specific software project using several personalization techniques. We consider three key approaches: (i) custom fine-tuning, which allows all the model parameters to be tuned; (ii) lightweight fine-tuning, which freezes most of the model's parameters, allowing tuning of the token embeddings and softmax layer only or the final layer alone; (iii) prefix tuning, which keeps model parameters frozen, but optimizes a small project-specific prefix vector. Each of these techniques offers a trade-off in total compute cost and predictive performance, which we evaluate by code and task-specific metrics, training time, and total computational operations. We compare these fine-tuning strategies for code generation and discuss the potential generalization and cost benefits of each in various deployment scenarios.

Linearization of attention using various kernel approximation and kernel learning techniques has shown promise. Past methods used a subset of combinations of component functions and weight matrices within the random feature paradigm. We identify the need for a systematic comparison of different combinations of weight matrices and component functions for attention learning in Transformer. Hence, we introduce Spectraformer, a unified framework for approximating and learning the kernel function in the attention mechanism of the Transformer. Our empirical results demonstrate, for the first time, that a random feature-based approach can achieve performance comparable to top-performing sparse and low-rank methods on the challenging Long Range Arena benchmark. Thus, we establish a new state-of-the-art for random feature-based efficient Transformers. The framework also produces many variants that offer different advantages in accuracy, training time, and memory consumption. Our code is available at: https://github.com/cruiseresearchgroup/spectraformer .

Most widely-used pre-trained language models operate on sequences of tokens corresponding to word or subword units. By comparison, token-free models that operate directly on raw text (bytes or characters) have many benefits: they can process text in any language out of the box, they are more robust to noise, and they minimize technical debt by removing complex and error-prone text preprocessing pipelines. Since byte or character sequences are longer than token sequences, past work on token-free models has often introduced new model architectures designed to amortize the cost of operating directly on raw text. In this paper, we show that a standard Transformer architecture can be used with minimal modifications to process byte sequences. We characterize the trade-offs in terms of parameter count, training FLOPs, and inference speed, and show that byte-level models are competitive with their token-level counterparts. We also demonstrate that byte-level models are significantly more robust to noise and perform better on tasks that are sensitive to spelling and pronunciation. As part of our contribution, we release a new set of pre-trained byte-level Transformer models based on the T5 architecture, as well as all code and data used in our experiments.

Transformers are ubiquitous in Natural Language Processing (NLP) tasks, but they are difficult to be deployed on hardware due to the intensive computation. To enable low-latency inference on resource-constrained hardware platforms, we propose to design Hardware-Aware Transformers (HAT) with neural architecture search. We first construct a large design space with arbitrary encoder-decoder attention and heterogeneous layers. Then we train a SuperTransformer that covers all candidates in the design space, and efficiently produces many SubTransformers with weight sharing. Finally, we perform an evolutionary search with a hardware latency constraint to find a specialized SubTransformer dedicated to run fast on the target hardware. Extensive experiments on four machine translation tasks demonstrate that HAT can discover efficient models for different hardware (CPU, GPU, IoT device). When running WMT'14 translation task on Raspberry Pi-4, HAT can achieve 3times speedup, 3.7times smaller size over baseline Transformer; 2.7times speedup, 3.6times smaller size over Evolved Transformer with 12,041times less search cost and no performance loss. HAT code is https://github.com/mit-han-lab/hardware-aware-transformers.git

With the advancement of language models, unified multimodal understanding and generation have made significant strides, with model architectures evolving from separated components to unified single-model frameworks. This paper explores an efficient training paradigm to build a single transformer for unified multimodal understanding and generation. Specifically, we propose a multimodal warmup strategy utilizing prior knowledge to extend capabilities. To address cross-modal compatibility challenges, we introduce feature pre-scaling and multimodal AdaLN techniques. Integrating the proposed technologies, we present the HaploOmni, a new single multimodal transformer. With limited training costs, HaploOmni achieves competitive performance across multiple image and video understanding and generation benchmarks over advanced unified models. All codes will be made public at https://github.com/Tencent/HaploVLM.

Heterogeneous Face Recognition (HFR) aims at matching face images captured across different sensing modalities, such as thermal-to-visible or near-infrared-to-visible, enhancing the usability of face recognition systems in challenging real-world conditions. Although recent HFR methods have achieved significant improvements in performance, many rely on computationally expensive models, making them impractical for deployment on resource-limited edge devices. In this work, we introduce a lightweight yet effective HFR framework by adapting a hybrid CNN-Transformer model originally developed for RGB homogeneous face recognition. Our approach enables efficient end-to-end training with only a small amount of paired heterogeneous data, while still maintaining strong performance on standard RGB face recognition benchmarks. This makes it suitable for both homogeneous and heterogeneous settings. Comprehensive experiments on several challenging HFR and face recognition benchmarks show that our method achieves state-of-the-art or competitive performance while keeping computational requirements low.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

Designed to learn long-range interactions on sequential data, transformers continue to show state-of-the-art results on a wide variety of tasks. In contrast to CNNs, they contain no inductive bias that prioritizes local interactions. This makes them expressive, but also computationally infeasible for long sequences, such as high-resolution images. We demonstrate how combining the effectiveness of the inductive bias of CNNs with the expressivity of transformers enables them to model and thereby synthesize high-resolution images. We show how to (i) use CNNs to learn a context-rich vocabulary of image constituents, and in turn (ii) utilize transformers to efficiently model their composition within high-resolution images. Our approach is readily applied to conditional synthesis tasks, where both non-spatial information, such as object classes, and spatial information, such as segmentations, can control the generated image. In particular, we present the first results on semantically-guided synthesis of megapixel images with transformers and obtain the state of the art among autoregressive models on class-conditional ImageNet. Code and pretrained models can be found at https://github.com/CompVis/taming-transformers .

Recently pre-trained language representation models such as BERT have shown great success when fine-tuned on downstream tasks including information retrieval (IR). However, pre-training objectives tailored for ad-hoc retrieval have not been well explored. In this paper, we propose Pre-training with Representative wOrds Prediction (PROP) for ad-hoc retrieval. PROP is inspired by the classical statistical language model for IR, specifically the query likelihood model, which assumes that the query is generated as the piece of text representative of the "ideal" document. Based on this idea, we construct the representative words prediction (ROP) task for pre-training. Given an input document, we sample a pair of word sets according to the document language model, where the set with higher likelihood is deemed as more representative of the document. We then pre-train the Transformer model to predict the pairwise preference between the two word sets, jointly with the Masked Language Model (MLM) objective. By further fine-tuning on a variety of representative downstream ad-hoc retrieval tasks, PROP achieves significant improvements over baselines without pre-training or with other pre-training methods. We also show that PROP can achieve exciting performance under both the zero- and low-resource IR settings. The code and pre-trained models are available at https://github.com/Albert-Ma/PROP.

We present FIT: a transformer-based architecture with efficient self-attention and adaptive computation. Unlike original transformers, which operate on a single sequence of data tokens, we divide the data tokens into groups, with each group being a shorter sequence of tokens. We employ two types of transformer layers: local layers operate on data tokens within each group, while global layers operate on a smaller set of introduced latent tokens. These layers, comprising the same set of self-attention and feed-forward layers as standard transformers, are interleaved, and cross-attention is used to facilitate information exchange between data and latent tokens within the same group. The attention complexity is O(n^2) locally within each group of size n, but can reach O(L^{{4}/{3}}) globally for sequence length of L. The efficiency can be further enhanced by relying more on global layers that perform adaptive computation using a smaller set of latent tokens. FIT is a versatile architecture and can function as an encoder, diffusion decoder, or autoregressive decoder. We provide initial evidence demonstrating its effectiveness in high-resolution image understanding and generation tasks. Notably, FIT exhibits potential in performing end-to-end training on gigabit-scale data, such as 6400times6400 images, or 160K tokens (after patch tokenization), within a memory capacity of 16GB, without requiring specific optimizations or model parallelism.

Generative Pre-trained Transformer models, known as GPT or OPT, set themselves apart through breakthrough performance across complex language modelling tasks, but also by their extremely high computational and storage costs. Specifically, due to their massive size, even inference for large, highly-accurate GPT models may require multiple performant GPUs, which limits the usability of such models. While there is emerging work on relieving this pressure via model compression, the applicability and performance of existing compression techniques is limited by the scale and complexity of GPT models. In this paper, we address this challenge, and propose GPTQ, a new one-shot weight quantization method based on approximate second-order information, that is both highly-accurate and highly-efficient. Specifically, GPTQ can quantize GPT models with 175 billion parameters in approximately four GPU hours, reducing the bitwidth down to 3 or 4 bits per weight, with negligible accuracy degradation relative to the uncompressed baseline. Our method more than doubles the compression gains relative to previously-proposed one-shot quantization methods, preserving accuracy, allowing us for the first time to execute an 175 billion-parameter model inside a single GPU for generative inference. Moreover, we also show that our method can still provide reasonable accuracy in the extreme quantization regime, in which weights are quantized to 2-bit or even ternary quantization levels. We show experimentally that these improvements can be leveraged for end-to-end inference speedups over FP16, of around 3.25x when using high-end GPUs (NVIDIA A100) and 4.5x when using more cost-effective ones (NVIDIA A6000). The implementation is available at https://github.com/IST-DASLab/gptq.

Pretrained transformers achieve the state of the art across tasks in natural language processing, motivating researchers to investigate their inner mechanisms. One common direction is to understand what features are important for prediction. In this paper, we apply information bottlenecks to analyze the attribution of each feature for prediction on a black-box model. We use BERT as the example and evaluate our approach both quantitatively and qualitatively. We show the effectiveness of our method in terms of attribution and the ability to provide insight into how information flows through layers. We demonstrate that our technique outperforms two competitive methods in degradation tests on four datasets. Code is available at https://github.com/bazingagin/IBA.

Self-supervised learning methods are gaining increasing traction in computer vision due to their recent success in reducing the gap with supervised learning. In natural language processing (NLP) self-supervised learning and transformers are already the methods of choice. The recent literature suggests that the transformers are becoming increasingly popular also in computer vision. So far, the vision transformers have been shown to work well when pretrained either using a large scale supervised data or with some kind of co-supervision, e.g. in terms of teacher network. These supervised pretrained vision transformers achieve very good results in downstream tasks with minimal changes. In this work we investigate the merits of self-supervised learning for pretraining image/vision transformers and then using them for downstream classification tasks. We propose Self-supervised vIsion Transformers (SiT) and discuss several self-supervised training mechanisms to obtain a pretext model. The architectural flexibility of SiT allows us to use it as an autoencoder and work with multiple self-supervised tasks seamlessly. We show that a pretrained SiT can be finetuned for a downstream classification task on small scale datasets, consisting of a few thousand images rather than several millions. The proposed approach is evaluated on standard datasets using common protocols. The results demonstrate the strength of the transformers and their suitability for self-supervised learning. We outperformed existing self-supervised learning methods by large margin. We also observed that SiT is good for few shot learning and also showed that it is learning useful representation by simply training a linear classifier on top of the learned features from SiT. Pretraining, finetuning, and evaluation codes will be available under: https://github.com/Sara-Ahmed/SiT.

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them infeasible to represent heterogeneous structures. In this paper, we present the Heterogeneous Graph Transformer (HGT) architecture for modeling Web-scale heterogeneous graphs. To model heterogeneity, we design node- and edge-type dependent parameters to characterize the heterogeneous attention over each edge, empowering HGT to maintain dedicated representations for different types of nodes and edges. To handle dynamic heterogeneous graphs, we introduce the relative temporal encoding technique into HGT, which is able to capture the dynamic structural dependency with arbitrary durations. To handle Web-scale graph data, we design the heterogeneous mini-batch graph sampling algorithm---HGSampling---for efficient and scalable training. Extensive experiments on the Open Academic Graph of 179 million nodes and 2 billion edges show that the proposed HGT model consistently outperforms all the state-of-the-art GNN baselines by 9%--21% on various downstream tasks.

Modeling long-range dependencies across sequences is a longstanding goal in machine learning and has led to architectures, such as state space models, that dramatically outperform Transformers on long sequences. However, these impressive empirical gains have been by and large demonstrated on benchmarks (e.g. Long Range Arena), where models are randomly initialized and trained to predict a target label from an input sequence. In this work, we show that random initialization leads to gross overestimation of the differences between architectures and that pretraining with standard denoising objectives, using only the downstream task data, leads to dramatic gains across multiple architectures and to very small gaps between Transformers and state space models (SSMs). In stark contrast to prior works, we find vanilla Transformers to match the performance of S4 on Long Range Arena when properly pretrained, and we improve the best reported results of SSMs on the PathX-256 task by 20 absolute points. Subsequently, we analyze the utility of previously-proposed structured parameterizations for SSMs and show they become mostly redundant in the presence of data-driven initialization obtained through pretraining. Our work shows that, when evaluating different architectures on supervised tasks, incorporation of data-driven priors via pretraining is essential for reliable performance estimation, and can be done efficiently.

Transformers, composed of multiple self-attention layers, hold strong promises toward a generic learning primitive applicable to different data modalities, including the recent breakthroughs in computer vision achieving state-of-the-art (SOTA) standard accuracy. What remains largely unexplored is their robustness evaluation and attribution. In this work, we study the robustness of the Vision Transformer (ViT) against common corruptions and perturbations, distribution shifts, and natural adversarial examples. We use six different diverse ImageNet datasets concerning robust classification to conduct a comprehensive performance comparison of ViT models and SOTA convolutional neural networks (CNNs), Big-Transfer. Through a series of six systematically designed experiments, we then present analyses that provide both quantitative and qualitative indications to explain why ViTs are indeed more robust learners. For example, with fewer parameters and similar dataset and pre-training combinations, ViT gives a top-1 accuracy of 28.10% on ImageNet-A which is 4.3x higher than a comparable variant of BiT. Our analyses on image masking, Fourier spectrum sensitivity, and spread on discrete cosine energy spectrum reveal intriguing properties of ViT attributing to improved robustness. Code for reproducing our experiments is available at https://git.io/J3VO0.

Recent developments in natural language representations have been accompanied by large and expensive models that leverage vast amounts of general-domain text through self-supervised pre-training. Due to the cost of applying such models to down-stream tasks, several model compression techniques on pre-trained language representations have been proposed (Sun et al., 2019; Sanh, 2019). However, surprisingly, the simple baseline of just pre-training and fine-tuning compact models has been overlooked. In this paper, we first show that pre-training remains important in the context of smaller architectures, and fine-tuning pre-trained compact models can be competitive to more elaborate methods proposed in concurrent work. Starting with pre-trained compact models, we then explore transferring task knowledge from large fine-tuned models through standard knowledge distillation. The resulting simple, yet effective and general algorithm, Pre-trained Distillation, brings further improvements. Through extensive experiments, we more generally explore the interaction between pre-training and distillation under two variables that have been under-studied: model size and properties of unlabeled task data. One surprising observation is that they have a compound effect even when sequentially applied on the same data. To accelerate future research, we will make our 24 pre-trained miniature BERT models publicly available.

Designing pre-training objectives that more closely resemble the downstream tasks for pre-trained language models can lead to better performance at the fine-tuning stage, especially in the ad-hoc retrieval area. Existing pre-training approaches tailored for IR tried to incorporate weak supervised signals, such as query-likelihood based sampling, to construct pseudo query-document pairs from the raw textual corpus. However, these signals rely heavily on the sampling method. For example, the query likelihood model may lead to much noise in the constructed pre-training data. dagger This work was done during an internship at Huawei. In this paper, we propose to leverage the large-scale hyperlinks and anchor texts to pre-train the language model for ad-hoc retrieval. Since the anchor texts are created by webmasters and can usually summarize the target document, it can help to build more accurate and reliable pre-training samples than a specific algorithm. Considering different views of the downstream ad-hoc retrieval, we devise four pre-training tasks based on the hyperlinks. We then pre-train the Transformer model to predict the pair-wise preference, jointly with the Masked Language Model objective. Experimental results on two large-scale ad-hoc retrieval datasets show the significant improvement of our model compared with the existing methods.

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.

Sparsely-activated Mixture-of-experts (MoE) models allow the number of parameters to greatly increase while keeping the amount of computation for a given token or a given sample unchanged. However, a poor expert routing strategy (e.g. one resulting in load imbalance) can cause certain experts to be under-trained, leading to an expert being under or over-specialized. Prior work allocates a fixed number of experts to each token using a top-k function regardless of the relative importance of different tokens. To address this, we propose a heterogeneous mixture-of-experts employing an expert choice method. Instead of letting tokens select the top-k experts, we have experts selecting the top-k tokens. As a result, each token can be routed to a variable number of experts and each expert can have a fixed bucket size. We systematically study pre-training speedups using the same computational resources of the Switch Transformer top-1 and GShard top-2 gating of prior work and find that our method improves training convergence time by more than 2x. For the same computational cost, our method demonstrates higher performance in fine-tuning 11 selected tasks in the GLUE and SuperGLUE benchmarks. For a smaller activation cost, our method outperforms the T5 dense model in 7 out of the 11 tasks.

Probing or fine-tuning (large-scale) pre-trained models results in state-of-the-art performance for many NLP tasks and, more recently, even for computer vision tasks when combined with image data. Unfortunately, these approaches also entail severe risks. In particular, large image datasets automatically scraped from the web may contain derogatory terms as categories and offensive images, and may also underrepresent specific classes. Consequently, there is an urgent need to carefully document datasets and curate their content. Unfortunately, this process is tedious and error-prone. We show that pre-trained transformers themselves provide a methodology for the automated curation of large-scale vision datasets. Based on human-annotated examples and the implicit knowledge of a CLIP based model, we demonstrate that one can select relevant prompts for rating the offensiveness of an image. In addition to e.g. privacy violation and pornographic content previously identified in ImageNet, we demonstrate that our approach identifies further inappropriate and potentially offensive content.

In this paper, we present our progress in pre-training monolingual Transformers for Czech and contribute to the research community by releasing our models for public. The need for such models emerged from our effort to employ Transformers in our language-specific tasks, but we found the performance of the published multilingual models to be very limited. Since the multilingual models are usually pre-trained from 100+ languages, most of low-resourced languages (including Czech) are under-represented in these models. At the same time, there is a huge amount of monolingual training data available in web archives like Common Crawl. We have pre-trained and publicly released two monolingual Czech Transformers and compared them with relevant public models, trained (at least partially) for Czech. The paper presents the Transformers pre-training procedure as well as a comparison of pre-trained models on text classification task from various domains.

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.

Despite the extensive success of pretrained language models as encoders for building NLP systems, they haven't seen prominence as decoders for sequence generation tasks. We explore the question of whether these models can be adapted to be used as universal decoders. To be considered "universal," a decoder must have an implicit representation for any target sentence s, such that it can recover that sentence exactly when conditioned on its representation. For large transformer-based language models trained on vast amounts of English text, we investigate whether such representations can be easily discovered using standard optimization methods. We present and compare three representation injection techniques for transformer-based models and three accompanying methods which map sentences to and from this representation space. Experiments show that not only do representations exist for sentences from a variety of genres. More importantly, without needing complex optimization algorithms, our methods recover these sentences almost perfectly without fine-tuning the underlying language model at all.

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.

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

Recently, the scale of transformers has grown rapidly, which introduces considerable challenges in terms of training overhead and inference efficiency in the scope of task adaptation. Existing works, namely Parameter-Efficient Fine-Tuning (PEFT) and model compression, have separately investigated the challenges. However, PEFT cannot guarantee the inference efficiency of the original backbone, especially for large-scale models. Model compression requires significant training costs for structure searching and re-training. Consequently, a simple combination of them cannot guarantee accomplishing both training efficiency and inference efficiency with minimal costs. In this paper, we propose a novel Parallel Yielding Re-Activation (PYRA) method for such a challenge of training-inference efficient task adaptation. PYRA first utilizes parallel yielding adaptive weights to comprehensively perceive the data distribution in downstream tasks. A re-activation strategy for token modulation is then applied for tokens to be merged, leading to calibrated token features. Extensive experiments demonstrate that PYRA outperforms all competing methods under both low compression rate and high compression rate, demonstrating its effectiveness and superiority in maintaining both training efficiency and inference efficiency for large-scale foundation models. Our code will be released to the public.

Modern hierarchical vision transformers have added several vision-specific components in the pursuit of supervised classification performance. While these components lead to effective accuracies and attractive FLOP counts, the added complexity actually makes these transformers slower than their vanilla ViT counterparts. In this paper, we argue that this additional bulk is unnecessary. By pretraining with a strong visual pretext task (MAE), we can strip out all the bells-and-whistles from a state-of-the-art multi-stage vision transformer without losing accuracy. In the process, we create Hiera, an extremely simple hierarchical vision transformer that is more accurate than previous models while being significantly faster both at inference and during training. We evaluate Hiera on a variety of tasks for image and video recognition. Our code and models are available at https://github.com/facebookresearch/hiera.

The quadratic computational complexity in the self-attention mechanism of popular transformer architectures poses significant challenges for training and inference, particularly in terms of efficiency and memory requirements. Towards addressing these challenges, this paper introduces a novel fast computation method for gradient calculation in multi-layer transformer models. Our approach enables the computation of gradients for the entire multi-layer transformer model in almost linear time n^{1+o(1)}, where n is the input sequence length. This breakthrough significantly reduces the computational bottleneck associated with the traditional quadratic time complexity. Our theory holds for any loss function and maintains a bounded approximation error across the entire model. Furthermore, our analysis can hold when the multi-layer transformer model contains many practical sub-modules, such as residual connection, casual mask, and multi-head attention. By improving the efficiency of gradient computation in large language models, we hope that our work will facilitate the more effective training and deployment of long-context language models based on our theoretical results.

Large language models (LLMs) have garnered significant attention in both the AI community and beyond. Among these, the Generative Pre-trained Transformer (GPT) has emerged as the dominant architecture, spawning numerous variants. However, these variants have undergone pre-training under diverse conditions, including variations in input data, data preprocessing, and training methodologies, resulting in a lack of controlled comparative studies. Here we meticulously examine two prominent open-sourced GPT architectures, GPT-NeoX and LLaMA, leveraging the computational power of Frontier, the world's first Exascale supercomputer. Employing the same materials science text corpus and a comprehensive end-to-end pipeline, we conduct a comparative analysis of their training and downstream performance. Our efforts culminate in achieving state-of-the-art performance on a challenging materials science benchmark. Furthermore, we investigate the computation and energy efficiency, and propose a computationally efficient method for architecture design. To our knowledge, these pre-trained models represent the largest available for materials science. Our findings provide practical guidance for building LLMs on HPC platforms.

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.