Daily Papers

Transformers have recently emerged as a powerful tool for learning visual representations. In this paper, we identify and characterize artifacts in feature maps of both supervised and self-supervised ViT networks. The artifacts correspond to high-norm tokens appearing during inference primarily in low-informative background areas of images, that are repurposed for internal computations. We propose a simple yet effective solution based on providing additional tokens to the input sequence of the Vision Transformer to fill that role. We show that this solution fixes that problem entirely for both supervised and self-supervised models, sets a new state of the art for self-supervised visual models on dense visual prediction tasks, enables object discovery methods with larger models, and most importantly leads to smoother feature maps and attention maps for downstream visual processing.

While Transformers have been the main architecture behind deep learning's success in language modeling, state-space models (SSMs) such as Mamba have recently been shown to match or outperform Transformers at small to medium scale. We show that these families of models are actually quite closely related, and develop a rich framework of theoretical connections between SSMs and variants of attention, connected through various decompositions of a well-studied class of structured semiseparable matrices. Our state space duality (SSD) framework allows us to design a new architecture (Mamba-2) whose core layer is an a refinement of Mamba's selective SSM that is 2-8X faster, while continuing to be competitive with Transformers on language modeling.

The poor performance of transformers on arithmetic tasks seems to stem in large part from their inability to keep track of the exact position of each digit inside of a large span of digits. We mend this problem by adding an embedding to each digit that encodes its position relative to the start of the number. In addition to the boost these embeddings provide on their own, we show that this fix enables architectural modifications such as input injection and recurrent layers to improve performance even further. With positions resolved, we can study the logical extrapolation ability of transformers. Can they solve arithmetic problems that are larger and more complex than those in their training data? We find that training on only 20 digit numbers with a single GPU for one day, we can reach state-of-the-art performance, achieving up to 99% accuracy on 100 digit addition problems. Finally, we show that these gains in numeracy also unlock improvements on other multi-step reasoning tasks including sorting and multiplication.

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

We study whether transformers can learn to implicitly reason over parametric knowledge, a skill that even the most capable language models struggle with. Focusing on two representative reasoning types, composition and comparison, we consistently find that transformers can learn implicit reasoning, but only through grokking, i.e., extended training far beyond overfitting. The levels of generalization also vary across reasoning types: when faced with out-of-distribution examples, transformers fail to systematically generalize for composition but succeed for comparison. We delve into the model's internals throughout training, conducting analytical experiments that reveal: 1) the mechanism behind grokking, such as the formation of the generalizing circuit and its relation to the relative efficiency of generalizing and memorizing circuits, and 2) the connection between systematicity and the configuration of the generalizing circuit. Our findings guide data and training setup to better induce implicit reasoning and suggest potential improvements to the transformer architecture, such as encouraging cross-layer knowledge sharing. Furthermore, we demonstrate that for a challenging reasoning task with a large search space, GPT-4-Turbo and Gemini-1.5-Pro based on non-parametric memory fail badly regardless of prompting styles or retrieval augmentation, while a fully grokked transformer can achieve near-perfect accuracy, showcasing the power of parametric memory for complex reasoning.

Transformers are considered conceptually different compared to the previous generation of state-of-the-art NLP models - recurrent neural networks (RNNs). In this work, we demonstrate that decoder-only transformers can in fact be conceptualized as infinite multi-state RNNs - an RNN variant with unlimited hidden state size. We further show that pretrained transformers can be converted into finite multi-state RNNs by fixing the size of their hidden state. We observe that several existing transformers cache compression techniques can be framed as such conversion policies, and introduce a novel policy, TOVA, which is simpler compared to these policies. Our experiments with several long range tasks indicate that TOVA outperforms all other baseline policies, while being nearly on par with the full (infinite) model, and using in some cases only 1{8} of the original cache size. Our results indicate that transformer decoder LLMs often behave in practice as RNNs. They also lay out the option of mitigating one of their most painful computational bottlenecks - the size of their cache memory. We publicly release our code at https://github.com/schwartz-lab-NLP/TOVA.

Transformers are the dominant architecture for sequence modeling, but there is growing interest in models that use a fixed-size latent state that does not depend on the sequence length, which we refer to as "generalized state space models" (GSSMs). In this paper we show that while GSSMs are promising in terms of inference-time efficiency, they are limited compared to transformer models on tasks that require copying from the input context. We start with a theoretical analysis of the simple task of string copying and prove that a two layer transformer can copy strings of exponential length while GSSMs are fundamentally limited by their fixed-size latent state. Empirically, we find that transformers outperform GSSMs in terms of efficiency and generalization on synthetic tasks that require copying the context. Finally, we evaluate pretrained large language models and find that transformer models dramatically outperform state space models at copying and retrieving information from context. Taken together, these results suggest a fundamental gap between transformers and GSSMs on tasks of practical interest.

Plenty of existing work has analyzed the abilities of the transformer architecture by describing its representational capacity with formal models of computation. However, the focus so far has been on analyzing the architecture in terms of language acceptance. We contend that this is an ill-suited problem in the study of language models (LMs), which are definitionally probability distributions over strings. In this paper, we focus on the relationship between transformer LMs and n-gram LMs, a simple and historically relevant class of language models. We show that transformer LMs using the hard or sparse attention mechanisms can exactly represent any n-gram LM, giving us a concrete lower bound on their probabilistic representational capacity. This provides a first step towards understanding the mechanisms that transformer LMs can use to represent probability distributions over strings.

Recent progress in natural language processing has been driven by advances in both model architecture and model pretraining. Transformer architectures have facilitated building higher-capacity models and pretraining has made it possible to effectively utilize this capacity for a wide variety of tasks. Transformers is an open-source library with the goal of opening up these advances to the wider machine learning community. The library consists of carefully engineered state-of-the art Transformer architectures under a unified API. Backing this library is a curated collection of pretrained models made by and available for the community. Transformers is designed to be extensible by researchers, simple for practitioners, and fast and robust in industrial deployments. The library is available at https://github.com/huggingface/transformers.

We explore a new class of diffusion models based on the transformer architecture. We train latent diffusion models of images, replacing the commonly-used U-Net backbone with a transformer that operates on latent patches. We analyze the scalability of our Diffusion Transformers (DiTs) through the lens of forward pass complexity as measured by Gflops. We find that DiTs with higher Gflops -- through increased transformer depth/width or increased number of input tokens -- consistently have lower FID. In addition to possessing good scalability properties, our largest DiT-XL/2 models outperform all prior diffusion models on the class-conditional ImageNet 512x512 and 256x256 benchmarks, achieving a state-of-the-art FID of 2.27 on the latter.

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

Transformer-like models for vision tasks have recently proven effective for a wide range of downstream applications such as segmentation and detection. Previous works have shown that segmentation properties emerge in vision transformers (ViTs) trained using self-supervised methods such as DINO, but not in those trained on supervised classification tasks. In this study, we probe whether segmentation emerges in transformer-based models solely as a result of intricate self-supervised learning mechanisms, or if the same emergence can be achieved under much broader conditions through proper design of the model architecture. Through extensive experimental results, we demonstrate that when employing a white-box transformer-like architecture known as CRATE, whose design explicitly models and pursues low-dimensional structures in the data distribution, segmentation properties, at both the whole and parts levels, already emerge with a minimalistic supervised training recipe. Layer-wise finer-grained analysis reveals that the emergent properties strongly corroborate the designed mathematical functions of the white-box network. Our results suggest a path to design white-box foundation models that are simultaneously highly performant and mathematically fully interpretable. Code is at https://github.com/Ma-Lab-Berkeley/CRATE.

Humans distill complex experiences into fundamental abstractions that enable rapid learning and adaptation. Similarly, autoregressive transformers exhibit adaptive learning through in-context learning (ICL), which begs the question of how. In this paper, we propose concept encoding-decoding mechanism to explain ICL by studying how transformers form and use internal abstractions in their representations. On synthetic ICL tasks, we analyze the training dynamics of a small transformer and report the coupled emergence of concept encoding and decoding. As the model learns to encode different latent concepts (e.g., ``Finding the first noun in a sentence.") into distinct, separable representations, it concureently builds conditional decoding algorithms and improve its ICL performance. We validate the existence of this mechanism across pretrained models of varying scales (Gemma-2 2B/9B/27B, Llama-3.1 8B/70B). Further, through mechanistic interventions and controlled finetuning, we demonstrate that the quality of concept encoding is causally related and predictive of ICL performance. Our empirical insights shed light into better understanding the success and failure modes of large language models via their representations.

Length generalization, defined as the ability to extrapolate from shorter training sequences to longer test ones, is a significant challenge for language models. This issue persists even with large-scale Transformers handling relatively straightforward tasks. In this paper, we test the Transformer's ability of length generalization using the task of addition of two integers. We show that the success of length generalization is intricately linked to the data format and the type of position encoding. Using the right combination of data format and position encodings, we show for the first time that standard Transformers can extrapolate to a sequence length that is 2.5x the input length. Nevertheless, unlike in-distribution generalization, length generalization remains fragile, significantly influenced by factors like random weight initialization and training data order, leading to large variances across different random seeds.

Transformers have emerged as the architecture of choice for many state-of-the-art AI models, showcasing exceptional performance across a wide range of AI applications. However, the memory demands imposed by Transformers limit their ability to handle long sequences, thereby creating challenges for tasks involving extended sequences or long-term dependencies. We present a distinct approach, Ring Attention, which leverages blockwise computation of self-attention to distribute long sequences across multiple devices while concurrently overlapping the communication of key-value blocks with the computation of blockwise attention. By processing longer input sequences while maintaining memory efficiency, Ring Attention enables training and inference of sequences that are device count times longer than those of prior memory-efficient Transformers, effectively eliminating the memory constraints imposed by individual devices. Extensive experiments on language modeling tasks demonstrate the effectiveness of Ring Attention in allowing large sequence input size and improving performance.

Transformers have become the dominant model in deep learning, but the reason for their superior performance is poorly understood. Here, we hypothesize that the strong performance of Transformers stems from an architectural bias towards mesa-optimization, a learned process running within the forward pass of a model consisting of the following two steps: (i) the construction of an internal learning objective, and (ii) its corresponding solution found through optimization. To test this hypothesis, we reverse-engineer a series of autoregressive Transformers trained on simple sequence modeling tasks, uncovering underlying gradient-based mesa-optimization algorithms driving the generation of predictions. Moreover, we show that the learned forward-pass optimization algorithm can be immediately repurposed to solve supervised few-shot tasks, suggesting that mesa-optimization might underlie the in-context learning capabilities of large language models. Finally, we propose a novel self-attention layer, the mesa-layer, that explicitly and efficiently solves optimization problems specified in context. We find that this layer can lead to improved performance in synthetic and preliminary language modeling experiments, adding weight to our hypothesis that mesa-optimization is an important operation hidden within the weights of trained Transformers.

The tokenization of speech with neural audio codec models is a vital part of modern AI pipelines for the generation or understanding of speech, alone or in a multimodal context. Traditionally such tokenization models have concentrated on low parameter-count architectures using only components with strong inductive biases. In this work we show that by scaling a transformer architecture with large parameter count to this problem, and applying a flexible Finite Scalar Quantization (FSQ) based bottleneck, it is possible to reach state-of-the-art speech quality at extremely low bit-rates of 400 or 700 bits-per-second. The trained models strongly out-perform existing baselines in both objective and subjective tests.

Transformers can capture long-range dependencies using self-attention, allowing tokens to attend to all others directly. However, stacking multiple attention layers leads to attention concentration. One natural way to address this issue is to use cross-layer attention, allowing information from earlier layers to be directly accessible to later layers. However, this approach is computationally expensive. To address this problem, we propose Transformer with residual value (ResFormer) which approximates cross-layer attention through adding a residual connection from the values of the the first layer to all subsequent layers. Based on this method, one variant is the Transformer with single layer value (SVFormer), where all layers share the same value embedding from first layer, reducing the KV cache by nearly 50%. Comprehensive empirical evidence demonstrates that ResFormer mitigates attention concentration problem in deeper layers and enhances representation across most layers, outperforming the vanilla Transformer, DenseFormer, and NeuTRENO in training error as well as downstream tasks. SVFormer trains significantly faster than the vanilla Transformer and performs better than other methods like GQA and CLA, with performance influenced by sequence length and cumulative learning rate.

Transformers with linear attention allow for efficient parallel training but can simultaneously be formulated as an RNN with 2D (matrix-valued) hidden states, thus enjoying linear (with respect to output length) inference complexity. Recent works such as RetNet (Sun et al., 2023) and TransNormerLLM (Qin et al., 2023a) observe that adding a global decay term to the additive RNN update rule greatly improves performance, sometimes outperforming standard Transformers with softmax attention when trained at scale. In this work we show that adding a data-dependent gating mechanism further improves performance. We derive a parallel form of this gated linear attention layer that enables efficient training. However, a straightforward, numerically stable implementation of this parallel form requires generalized matrix multiplications in log-space for numerical stability, and thus cannot take advantage of tensor cores on modern GPUs which are optimized for standard matrix multiplications. We develop a hardware-efficient version of the parallel form that can still make use of tensor cores through block-parallel computations over sequence chunks. Experiments on moderate-scale language modeling (340M-parameter models trained on 15B tokens, 1.3B-parameter models trained on 100B tokens) show that gated linear attention (GLA) Transformers perform competitively against a strong LLaMA-architecture Transformer baseline (Touvron et al., 2023) as well as Mamba (Gu & Dao, 2023), a recently introduced state-space model with a data-dependent state transition mechanism. For training speed, our Triton-based implementation performs comparably to CUDA-optimized FlashAttention-2 (Dao, 2023) under the regular 2048 training length setting, while outperforming FlashAttention-2 when training on longer sequences beyond 4096.

We identify incremental learning dynamics in transformers, where the difference between trained and initial weights progressively increases in rank. We rigorously prove this occurs under the simplifying assumptions of diagonal weight matrices and small initialization. Our experiments support the theory and also show that phenomenon can occur in practice without the simplifying assumptions.

Transformer large language models (LLMs) have sparked admiration for their exceptional performance on tasks that demand intricate multi-step reasoning. Yet, these models simultaneously show failures on surprisingly trivial problems. This begs the question: Are these errors incidental, or do they signal more substantial limitations? In an attempt to demystify Transformers, we investigate the limits of these models across three representative compositional tasks -- multi-digit multiplication, logic grid puzzles, and a classic dynamic programming problem. These tasks require breaking problems down into sub-steps and synthesizing these steps into a precise answer. We formulate compositional tasks as computation graphs to systematically quantify the level of complexity, and break down reasoning steps into intermediate sub-procedures. Our empirical findings suggest that Transformers solve compositional tasks by reducing multi-step compositional reasoning into linearized subgraph matching, without necessarily developing systematic problem-solving skills. To round off our empirical study, we provide theoretical arguments on abstract multi-step reasoning problems that highlight how Transformers' performance will rapidly decay with increased task complexity.

Despite their remarkable success in language modeling, transformers trained to predict the next token in a sequence struggle with long-term planning. This limitation is particularly evident in tasks requiring foresight to plan multiple steps ahead such as maze navigation. The standard next single token prediction objective, however, offers no explicit mechanism to predict multiple steps ahead - or revisit the path taken so far. Consequently, in this work we study whether explicitly predicting multiple steps ahead (and backwards) can improve transformers' maze navigation. We train parameter-matched transformers from scratch, under identical settings, to navigate mazes of varying types and sizes with standard next token prediction and MLM-U, an objective explicitly predicting multiple steps ahead and backwards. We find that MLM-U considerably improves transformers' ability to navigate mazes compared to standard next token prediction across maze types and complexities. We also find MLM-U training is 4x more sample efficient and converges 2x faster in terms of GPU training hours relative to next token training. Finally, for more complex mazes we find MLM-U benefits from scaling to larger transformers. Remarkably, we find transformers trained with MLM-U outperform larger transformers trained with next token prediction using additional supervision from A* search traces. We hope these findings underscore the promise of learning objectives to advance transformers' capacity for long-term planning.

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

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

We examine how transformers cope with two challenges: learning basic integer arithmetic, and generalizing to longer sequences than seen during training. We find that relative position embeddings enable length generalization for simple tasks, such as addition: models trained on 5-digit numbers can perform 15-digit sums. However, this method fails for multiplication, and we propose train set priming: adding a few (10 to 50) long sequences to the training set. We show that priming allows models trained on 5-digit times 3-digit multiplications to generalize to 35times 3 examples. We also show that models can be primed for different generalization lengths, and that the priming sample size scales as the logarithm of the training set size. Finally, we discuss potential applications of priming beyond arithmetic.

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

Transformers are slow to train on videos due to extremely large numbers of input tokens, even though many video tokens are repeated over time. Existing methods to remove such uninformative tokens either have significant overhead, negating any speedup, or require tuning for different datasets and examples. We present Run-Length Tokenization (RLT), a simple approach to speed up video transformers inspired by run-length encoding for data compression. RLT efficiently finds and removes runs of patches that are repeated over time prior to model inference, then replaces them with a single patch and a positional encoding to represent the resulting token's new length. Our method is content-aware, requiring no tuning for different datasets, and fast, incurring negligible overhead. RLT yields a large speedup in training, reducing the wall-clock time to fine-tune a video transformer by 30% while matching baseline model performance. RLT also works without any training, increasing model throughput by 35% with only 0.1% drop in accuracy. RLT speeds up training at 30 FPS by more than 100%, and on longer video datasets, can reduce the token count by up to 80%. Our project page is at https://rccchoudhury.github.io/projects/rlt/.

Transformers play a central role in the inner workings of large language models. We develop a mathematical framework for analyzing Transformers based on their interpretation as interacting particle systems, which reveals that clusters emerge in long time. Our study explores the underlying theory and offers new perspectives for mathematicians as well as computer scientists.

Transformers, central to the successes in modern Natural Language Processing, often falter on arithmetic tasks despite their vast capabilities --which paradoxically include remarkable coding abilities. We observe that a crucial challenge is their naive reliance on positional information to solve arithmetic problems with a small number of digits, leading to poor performance on larger numbers. Herein, we delve deeper into the role of positional encoding, and propose several ways to fix the issue, either by modifying the positional encoding directly, or by modifying the representation of the arithmetic task to leverage standard positional encoding differently. We investigate the value of these modifications for three tasks: (i) classical multiplication, (ii) length extrapolation in addition, and (iii) addition in natural language context. For (i) we train a small model on a small dataset (100M parameters and 300k samples) with remarkable aptitude in (direct, no scratchpad) 15 digits multiplication and essentially perfect up to 12 digits, while usual training in this context would give a model failing at 4 digits multiplication. In the experiments on addition, we use a mere 120k samples to demonstrate: for (ii) extrapolation from 10 digits to testing on 12 digits numbers while usual training would have no extrapolation, and for (iii) almost perfect accuracy up to 5 digits while usual training would be correct only up to 3 digits (which is essentially memorization with a training set of 120k samples).

Transformers are remarkably good at in-context learning (ICL) -- learning from demonstrations without parameter updates -- but how they perform ICL remains a mystery. Recent work suggests that Transformers may learn in-context by internally running Gradient Descent, a first-order optimization method. In this paper, we instead demonstrate that Transformers learn to implement higher-order optimization methods to perform ICL. Focusing on in-context linear regression, we show that Transformers learn to implement an algorithm very similar to Iterative Newton's Method, a higher-order optimization method, rather than Gradient Descent. Empirically, we show that predictions from successive Transformer layers closely match different iterations of Newton's Method linearly, with each middle layer roughly computing 3 iterations. In contrast, exponentially more Gradient Descent steps are needed to match an additional Transformers layer; this suggests that Transformers have an comparable rate of convergence with high-order methods such as Iterative Newton, which are exponentially faster than Gradient Descent. We also show that Transformers can learn in-context on ill-conditioned data, a setting where Gradient Descent struggles but Iterative Newton succeeds. Finally, we show theoretical results which support our empirical findings and have a close correspondence with them: we prove that Transformers can implement k iterations of Newton's method with O(k) layers.

Large language models exhibit surprising emergent generalization properties, yet also struggle on many simple reasoning tasks such as arithmetic and parity. This raises the question of if and when Transformer models can learn the true algorithm for solving a task. We study the scope of Transformers' abilities in the specific setting of length generalization on algorithmic tasks. Here, we propose a unifying framework to understand when and how Transformers can exhibit strong length generalization on a given task. Specifically, we leverage RASP (Weiss et al., 2021) -- a programming language designed for the computational model of a Transformer -- and introduce the RASP-Generalization Conjecture: Transformers tend to length generalize on a task if the task can be solved by a short RASP program which works for all input lengths. This simple conjecture remarkably captures most known instances of length generalization on algorithmic tasks. Moreover, we leverage our insights to drastically improve generalization performance on traditionally hard tasks (such as parity and addition). On the theoretical side, we give a simple example where the "min-degree-interpolator" model of learning from Abbe et al. (2023) does not correctly predict Transformers' out-of-distribution behavior, but our conjecture does. Overall, our work provides a novel perspective on the mechanisms of compositional generalization and the algorithmic capabilities of Transformers.

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.

With Artificial Intelligence (AI) increasingly permeating various aspects of society, including healthcare, the adoption of the Transformers neural network architecture is rapidly changing many applications. Transformer is a type of deep learning architecture initially developed to solve general-purpose Natural Language Processing (NLP) tasks and has subsequently been adapted in many fields, including healthcare. In this survey paper, we provide an overview of how this architecture has been adopted to analyze various forms of data, including medical imaging, structured and unstructured Electronic Health Records (EHR), social media, physiological signals, and biomolecular sequences. Those models could help in clinical diagnosis, report generation, data reconstruction, and drug/protein synthesis. We identified relevant studies using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We also discuss the benefits and limitations of using transformers in healthcare and examine issues such as computational cost, model interpretability, fairness, alignment with human values, ethical implications, and environmental impact.

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).

Transformer models can use two fundamentally different kinds of information: information stored in weights during training, and information provided ``in-context'' at inference time. In this work, we show that transformers exhibit different inductive biases in how they represent and generalize from the information in these two sources. In particular, we characterize whether they generalize via parsimonious rules (rule-based generalization) or via direct comparison with observed examples (exemplar-based generalization). This is of important practical consequence, as it informs whether to encode information in weights or in context, depending on how we want models to use that information. In transformers trained on controlled stimuli, we find that generalization from weights is more rule-based whereas generalization from context is largely exemplar-based. In contrast, we find that in transformers pre-trained on natural language, in-context learning is significantly rule-based, with larger models showing more rule-basedness. We hypothesise that rule-based generalization from in-context information might be an emergent consequence of large-scale training on language, which has sparse rule-like structure. Using controlled stimuli, we verify that transformers pretrained on data containing sparse rule-like structure exhibit more rule-based generalization.

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

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

Transformers with causal attention can solve tasks that require positional information without using positional encodings. In this work, we propose and investigate a new hypothesis about how positional information can be stored without using explicit positional encoding. We observe that nearby embeddings are more similar to each other than faraway embeddings, allowing the transformer to potentially reconstruct the positions of tokens. We show that this pattern can occur in both the trained and the randomly initialized Transformer models with causal attention and no positional encodings over a common range of hyperparameters.

Social media is a great source of data for users reporting information and regarding their health and how various things have had an effect on them. This paper presents various approaches using Transformers and Large Language Models and their ensembles, their performance along with advantages and drawbacks for various tasks of SMM4H'24 - Classifying texts on impact of nature and outdoor spaces on the author's mental health (Task 3), Binary classification of tweets reporting their children's health disorders like Asthma, Autism, ADHD and Speech disorder (task 5), Binary classification of users self-reporting their age (task 6).

Transformers serve as the backbone architectures of Foundational Models, where a domain-specific tokenizer helps them adapt to various domains. Graph Transformers (GTs) have recently emerged as a leading model in geometric deep learning, outperforming Graph Neural Networks (GNNs) in various graph learning tasks. However, the development of tokenizers for graphs has lagged behind other modalities, with existing approaches relying on heuristics or GNNs co-trained with Transformers. To address this, we introduce GQT (Graph Quantized Tokenizer), which decouples tokenizer training from Transformer training by leveraging multi-task graph self-supervised learning, yielding robust and generalizable graph tokens. Furthermore, the GQT utilizes Residual Vector Quantization (RVQ) to learn hierarchical discrete tokens, resulting in significantly reduced memory requirements and improved generalization capabilities. By combining the GQT with token modulation, a Transformer encoder achieves state-of-the-art performance on 16 out of 18 benchmarks, including large-scale homophilic and heterophilic datasets. The code is available at: https://github.com/limei0307/graph-tokenizer

Transformer architectures have become a dominant paradigm for domains like language modeling but suffer in many inference settings due to their quadratic-time self-attention. Recently proposed subquadratic architectures, such as Mamba, have shown promise, but have been pretrained with substantially less computational resources than the strongest Transformer models. In this work, we present a method that is able to distill a pretrained Transformer architecture into alternative architectures such as state space models (SSMs). The key idea to our approach is that we can view both Transformers and SSMs as applying different forms of mixing matrices over the token sequences. We can thus progressively distill the Transformer architecture by matching different degrees of granularity in the SSM: first matching the mixing matrices themselves, then the hidden units at each block, and finally the end-to-end predictions. Our method, called MOHAWK, is able to distill a Mamba-2 variant based on the Phi-1.5 architecture (Phi-Mamba) using only 3B tokens and a hybrid version (Hybrid Phi-Mamba) using 5B tokens. Despite using less than 1% of the training data typically used to train models from scratch, Phi-Mamba boasts substantially stronger performance compared to all past open-source non-Transformer models. MOHAWK allows models like SSMs to leverage computational resources invested in training Transformer-based architectures, highlighting a new avenue for building such models.

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

Transformers achieve state-of-the-art accuracy and robustness across many tasks, but an understanding of the inductive biases that they have and how those biases are different from other neural network architectures remains elusive. Various neural network architectures such as fully connected networks have been found to have a simplicity bias towards simple functions of the data; one version of this simplicity bias is a spectral bias to learn simple functions in the Fourier space. In this work, we identify the notion of sensitivity of the model to random changes in the input as a notion of simplicity bias which provides a unified metric to explain the simplicity and spectral bias of transformers across different data modalities. We show that transformers have lower sensitivity than alternative architectures, such as LSTMs, MLPs and CNNs, across both vision and language tasks. We also show that low-sensitivity bias correlates with improved robustness; furthermore, it can also be used as an efficient intervention to further improve the robustness of transformers.

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

While large language models based on the transformer architecture have demonstrated remarkable in-context learning (ICL) capabilities, understandings of such capabilities are still in an early stage, where existing theory and mechanistic understanding focus mostly on simple scenarios such as learning simple function classes. This paper takes initial steps on understanding ICL in more complex scenarios, by studying learning with representations. Concretely, we construct synthetic in-context learning problems with a compositional structure, where the label depends on the input through a possibly complex but fixed representation function, composed with a linear function that differs in each instance. By construction, the optimal ICL algorithm first transforms the inputs by the representation function, and then performs linear ICL on top of the transformed dataset. We show theoretically the existence of transformers that approximately implement such algorithms with mild depth and size. Empirically, we find trained transformers consistently achieve near-optimal ICL performance in this setting, and exhibit the desired dissection where lower layers transforms the dataset and upper layers perform linear ICL. Through extensive probing and a new pasting experiment, we further reveal several mechanisms within the trained transformers, such as concrete copying behaviors on both the inputs and the representations, linear ICL capability of the upper layers alone, and a post-ICL representation selection mechanism in a harder mixture setting. These observed mechanisms align well with our theory and may shed light on how transformers perform ICL in more realistic scenarios.

Transformers have significantly impacted domains like natural language processing, computer vision, and robotics, where they improve performance compared to other neural networks. This survey explores how transformers are used in reinforcement learning (RL), where they are seen as a promising solution for addressing challenges such as unstable training, credit assignment, lack of interpretability, and partial observability. We begin by providing a brief domain overview of RL, followed by a discussion on the challenges of classical RL algorithms. Next, we delve into the properties of the transformer and its variants and discuss the characteristics that make them well-suited to address the challenges inherent in RL. We examine the application of transformers to various aspects of RL, including representation learning, transition and reward function modeling, and policy optimization. We also discuss recent research that aims to enhance the interpretability and efficiency of transformers in RL, using visualization techniques and efficient training strategies. Often, the transformer architecture must be tailored to the specific needs of a given application. We present a broad overview of how transformers have been adapted for several applications, including robotics, medicine, language modeling, cloud computing, and combinatorial optimization. We conclude by discussing the limitations of using transformers in RL and assess their potential for catalyzing future breakthroughs in this field.

Shift equivariance is a fundamental principle that governs how we perceive the world - our recognition of an object remains invariant with respect to shifts. Transformers have gained immense popularity due to their effectiveness in both language and vision tasks. While the self-attention operator in vision transformers (ViT) is permutation-equivariant and thus shift-equivariant, patch embedding, positional encoding, and subsampled attention in ViT variants can disrupt this property, resulting in inconsistent predictions even under small shift perturbations. Although there is a growing trend in incorporating the inductive bias of convolutional neural networks (CNNs) into vision transformers, it does not fully address the issue. We propose an adaptive polyphase anchoring algorithm that can be seamlessly integrated into vision transformer models to ensure shift-equivariance in patch embedding and subsampled attention modules, such as window attention and global subsampled attention. Furthermore, we utilize depth-wise convolution to encode positional information. Our algorithms enable ViT, and its variants such as Twins to achieve 100% consistency with respect to input shift, demonstrate robustness to cropping, flipping, and affine transformations, and maintain consistent predictions even when the original models lose 20 percentage points on average when shifted by just a few pixels with Twins' accuracy dropping from 80.57% to 62.40%.

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

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

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

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

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

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

Solid results from Transformers have made them prevailing architectures in various natural language and vision tasks. As a default component in Transformers, Layer Normalization (LN) normalizes activations within each token to boost the robustness. However, LN requires on-the-fly statistics calculation in inference as well as division and square root operations, leading to inefficiency on hardware. What is more, replacing LN with other hardware-efficient normalization schemes (e.g., Batch Normalization) results in inferior performance, even collapse in training. We find that this dilemma is caused by abnormal behaviors of activation statistics, including large fluctuations over iterations and extreme outliers across layers. To tackle these issues, we propose Unified Normalization (UN), which can speed up the inference by being fused with other linear operations and achieve comparable performance on par with LN. UN strives to boost performance by calibrating the activation and gradient statistics with a tailored fluctuation smoothing strategy. Meanwhile, an adaptive outlier filtration strategy is applied to avoid collapse in training whose effectiveness is theoretically proved and experimentally verified in this paper. We demonstrate that UN can be an efficient drop-in alternative to LN by conducting extensive experiments on language and vision tasks. Besides, we evaluate the efficiency of our method on GPU. Transformers equipped with UN enjoy about 31% inference speedup and nearly 18% memory reduction. Code will be released at https://github.com/hikvision-research/Unified-Normalization.

Recurrent models have been dominating the field of neural machine translation (NMT) for the past few years. Transformers vaswani2017attention, have radically changed it by proposing a novel architecture that relies on a feed-forward backbone and self-attention mechanism. Although Transformers are powerful, they could fail to properly encode sequential/positional information due to their non-recurrent nature. To solve this problem, position embeddings are defined exclusively for each time step to enrich word information. However, such embeddings are fixed after training regardless of the task and the word ordering system of the source or target language. In this paper, we propose a novel architecture with new position embeddings depending on the input text to address this shortcoming by taking the order of target words into consideration. Instead of using predefined position embeddings, our solution generates new embeddings to refine each word's position information. Since we do not dictate the position of source tokens and learn them in an end-to-end fashion, we refer to our method as dynamic position encoding (DPE). We evaluated the impact of our model on multiple datasets to translate from English into German, French, and Italian and observed meaningful improvements in comparison to the original Transformer.

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

Transformers, 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.

With the growth of the Internet of Things and the rise of Big Data, data processing and machine learning applications are being moved to cheap and low size, weight, and power (SWaP) devices at the edge, often in the form of mobile phones, embedded systems, or microcontrollers. The field of Cyber-Physical Measurements and Signature Intelligence (MASINT) makes use of these devices to analyze and exploit data in ways not otherwise possible, which results in increased data quality, increased security, and decreased bandwidth. However, methods to train and deploy models at the edge are limited, and models with sufficient accuracy are often too large for the edge device. Therefore, there is a clear need for techniques to create efficient AI/ML at the edge. This work presents training techniques for audio models in the field of environmental sound classification at the edge. Specifically, we design and train Transformers to classify office sounds in audio clips. Results show that a BERT-based Transformer, trained on Mel spectrograms, can outperform a CNN using 99.85% fewer parameters. To achieve this result, we first tested several audio feature extraction techniques designed for Transformers, using ESC-50 for evaluation, along with various augmentations. Our final model outperforms the state-of-the-art MFCC-based CNN on the office sounds dataset, using just over 6,000 parameters -- small enough to run on a microcontroller.

Transformers do not scale very well to long sequence lengths largely because of quadratic self-attention complexity. In the recent months, a wide spectrum of efficient, fast Transformers have been proposed to tackle this problem, more often than not claiming superior or comparable model quality to vanilla Transformer models. To this date, there is no well-established consensus on how to evaluate this class of models. Moreover, inconsistent benchmarking on a wide spectrum of tasks and datasets makes it difficult to assess relative model quality amongst many models. This paper proposes a systematic and unified benchmark, LRA, specifically focused on evaluating model quality under long-context scenarios. Our benchmark is a suite of tasks consisting of sequences ranging from 1K to 16K tokens, encompassing a wide range of data types and modalities such as text, natural, synthetic images, and mathematical expressions requiring similarity, structural, and visual-spatial reasoning. We systematically evaluate ten well-established long-range Transformer models (Reformers, Linformers, Linear Transformers, Sinkhorn Transformers, Performers, Synthesizers, Sparse Transformers, and Longformers) on our newly proposed benchmark suite. LRA paves the way towards better understanding this class of efficient Transformer models, facilitates more research in this direction, and presents new challenging tasks to tackle. Our benchmark code will be released at https://github.com/google-research/long-range-arena.

The ability to fuse sentences is highly attractive for summarization systems because it is an essential step to produce succinct abstracts. However, to date, summarizers can fail on fusing sentences. They tend to produce few summary sentences by fusion or generate incorrect fusions that lead the summary to fail to retain the original meaning. In this paper, we explore the ability of Transformers to fuse sentences and propose novel algorithms to enhance their ability to perform sentence fusion by leveraging the knowledge of points of correspondence between sentences. Through extensive experiments, we investigate the effects of different design choices on Transformer's performance. Our findings highlight the importance of modeling points of correspondence between sentences for effective sentence fusion.

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.

Transformers-based models, such as BERT, have been one of the most successful deep learning models for NLP. Unfortunately, one of their core limitations is the quadratic dependency (mainly in terms of memory) on the sequence length due to their full attention mechanism. To remedy this, we propose, BigBird, a sparse attention mechanism that reduces this quadratic dependency to linear. We show that BigBird is a universal approximator of sequence functions and is Turing complete, thereby preserving these properties of the quadratic, full attention model. Along the way, our theoretical analysis reveals some of the benefits of having O(1) global tokens (such as CLS), that attend to the entire sequence as part of the sparse attention mechanism. The proposed sparse attention can handle sequences of length up to 8x of what was previously possible using similar hardware. As a consequence of the capability to handle longer context, BigBird drastically improves performance on various NLP tasks such as question answering and summarization. We also propose novel applications to genomics data.

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

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

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

Music streaming services often leverage sequential recommender systems to predict the best music to showcase to users based on past sequences of listening sessions. Nonetheless, most sequential recommendation methods ignore or insufficiently account for repetitive behaviors. This is a crucial limitation for music recommendation, as repeatedly listening to the same song over time is a common phenomenon that can even change the way users perceive this song. In this paper, we introduce PISA (Psychology-Informed Session embedding using ACT-R), a session-level sequential recommender system that overcomes this limitation. PISA employs a Transformer architecture learning embedding representations of listening sessions and users using attention mechanisms inspired by Anderson's ACT-R (Adaptive Control of Thought-Rational), a cognitive architecture modeling human information access and memory dynamics. This approach enables us to capture dynamic and repetitive patterns from user behaviors, allowing us to effectively predict the songs they will listen to in subsequent sessions, whether they are repeated or new ones. We demonstrate the empirical relevance of PISA using both publicly available listening data from Last.fm and proprietary data from Deezer, a global music streaming service, confirming the critical importance of repetition modeling for sequential listening session recommendation. Along with this paper, we publicly release our proprietary dataset to foster future research in this field, as well as the source code of PISA to facilitate its future use.

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

Transformer-based large language models have achieved remarkable performance across various natural language processing tasks. However, they often struggle with seemingly easy tasks like arithmetic despite their vast capabilities. This stark disparity raise human's concerns about their safe and ethical use, hinder their widespread adoption.In this paper, we focus on a typical arithmetic task, integer multiplication, to explore and explain the imperfection of transformers in this domain. We provide comprehensive analysis of a vanilla transformer trained to perform n-digit integer multiplication. Our observations indicate that the model decomposes multiplication task into multiple parallel subtasks, sequentially optimizing each subtask for each digit to complete the final multiplication. Based on observation and analysis, we infer the reasons of transformers deficiencies in multiplication tasks lies in their difficulty in calculating successive carryovers and caching intermediate results, and confirmed this inference through experiments. Guided by these findings, we propose improvements to enhance transformers performance on multiplication tasks. These enhancements are validated through rigorous testing and mathematical modeling, not only enhance transformer's interpretability, but also improve its performance, e.g., we achieve over 99.9% accuracy on 5-digit integer multiplication with a tiny transformer, outperform LLMs GPT-4. Our method contributes to the broader fields of model understanding and interpretability, paving the way for analyzing more complex tasks and Transformer models. This work underscores the importance of explainable AI, helping to build trust in large language models and promoting their adoption in critical applications.

Transformers exhibit impressive capabilities but are often regarded as black boxes due to challenges in understanding the complex nonlinear relationships between features. Interpreting machine learning models is of paramount importance to mitigate risks, and mechanistic interpretability is in particular of current interest as it opens up a window for guiding manual modifications and reverse-engineering solutions. In this work, we introduce contextual decomposition for transformers (CD-T), extending a prior work on CD for RNNs and CNNs, to address mechanistic interpretation computationally efficiently. CD-T is a flexible interpretation method for transformers. It can capture contributions of combinations of input features or source internal components (e.g. attention heads, feed-forward networks) to (1) final predictions or (2) the output of any target internal component. Using CD-T, we propose a novel algorithm for circuit discovery. On a real-world pathology report classification task: we show CD-T distills a more faithful circuit of attention heads with improved computational efficiency (speed up 2x) than a prior benchmark, path patching. As a versatile interpretation method, CD-T also exhibits exceptional capabilities for local interpretations. CD-T is shown to reliably find words and phrases of contrasting sentiment/topic on SST-2 and AGNews datasets. Through human experiments, we demonstrate CD-T enables users to identify the more accurate of two models and to better trust a model's outputs compared to alternative interpretation methods such as SHAP and LIME.

Can Transformers predict new syllogisms by composing established ones? More generally, what type of targets can be learned by such models from scratch? Recent works show that Transformers can be Turing-complete in terms of expressivity, but this does not address the learnability objective. This paper puts forward the notion of 'globality degree' of a target distribution to capture when weak learning is efficiently achievable by regular Transformers, where the latter measures the least number of tokens required in addition to the tokens histogram to correlate nontrivially with the target. As shown experimentally and theoretically under additional assumptions, distributions with high globality cannot be learned efficiently. In particular, syllogisms cannot be composed on long chains. Furthermore, we show that (i) an agnostic scratchpad cannot help to break the globality barrier, (ii) an educated scratchpad can help if it breaks the globality at each step, however not all such scratchpads can generalize to out-of-distribution (OOD) samples, (iii) a notion of 'inductive scratchpad', that composes the prior information more efficiently, can both break the globality barrier and improve the OOD generalization. In particular, some inductive scratchpads can achieve length generalizations of up to 6x for some arithmetic tasks depending on the input formatting.

The incredible success of transformers on sequence modeling tasks can be largely attributed to the self-attention mechanism, which allows information to be transferred between different parts of a sequence. Self-attention allows transformers to encode causal structure which makes them particularly suitable for sequence modeling. However, the process by which transformers learn such causal structure via gradient-based training algorithms remains poorly understood. To better understand this process, we introduce an in-context learning task that requires learning latent causal structure. We prove that gradient descent on a simplified two-layer transformer learns to solve this task by encoding the latent causal graph in the first attention layer. The key insight of our proof is that the gradient of the attention matrix encodes the mutual information between tokens. As a consequence of the data processing inequality, the largest entries of this gradient correspond to edges in the latent causal graph. As a special case, when the sequences are generated from in-context Markov chains, we prove that transformers learn an induction head (Olsson et al., 2022). We confirm our theoretical findings by showing that transformers trained on our in-context learning task are able to recover a wide variety of causal structures.

Transformers generalize to novel compositions of structures and entities after being trained on a complex dataset, but easily overfit on datasets of insufficient complexity. We observe that when the training set is sufficiently complex, the model encodes sentences that have a common syntactic structure using a systematic attention pattern. Inspired by this observation, we propose SQ-Transformer (Structurally Quantized) that explicitly encourages systematicity in the embeddings and attention layers, even with a training set of low complexity. At the embedding level, we introduce Structure-oriented Vector Quantization (SoVQ) to cluster word embeddings into several classes of structurally equivalent entities. At the attention level, we devise the Systematic Attention Layer (SAL) and an alternative, Systematically Regularized Layer (SRL) that operate on the quantized word embeddings so that sentences of the same structure are encoded with invariant or similar attention patterns. Empirically, we show that SQ-Transformer achieves stronger compositional generalization than the vanilla Transformer on multiple low-complexity semantic parsing and machine translation datasets. In our analysis, we show that SoVQ indeed learns a syntactically clustered embedding space and SAL/SRL induces generalizable attention patterns, which lead to improved systematicity.

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

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

Recent innovations in transformers have shown their superior performance in natural language processing (NLP) and computer vision (CV). The ability to capture long-range dependencies and interactions in sequential data has also triggered a great interest in time series modeling, leading to the widespread use of transformers in many time series applications. However, being the most common and crucial application, the adaptation of transformers to time series forecasting has remained limited, with both promising and inconsistent results. In contrast to the challenges in NLP and CV, time series problems not only add the complexity of order or temporal dependence among input sequences but also consider trend, level, and seasonality information that much of this data is valuable for decision making. The conventional training scheme has shown deficiencies regarding model overfitting, data scarcity, and privacy issues when working with transformers for a forecasting task. In this work, we propose attentive federated transformers for time series stock forecasting with better performance while preserving the privacy of participating enterprises. Empirical results on various stock data from the Yahoo! Finance website indicate the superiority of our proposed scheme in dealing with the above challenges and data heterogeneity in federated learning.

In-context learning (ICL) has revolutionized the capabilities of transformer models in NLP. In our project, we extend the understanding of the mechanisms underpinning ICL by exploring whether transformers can learn from sequential, non-textual function class data distributions. We introduce a novel sliding window sequential function class and employ toy-sized transformers with a GPT-2 architecture to conduct our experiments. Our analysis indicates that these models can indeed leverage ICL when trained on non-textual sequential function classes. Additionally, our experiments with randomized y-label sequences highlights that transformers retain some ICL capabilities even when the label associations are obfuscated. We provide evidence that transformers can reason with and understand sequentiality encoded within function classes, as reflected by the effective learning of our proposed tasks. Our results also show that the performance deteriorated with increasing randomness in the labels, though not to the extent one might expect, implying a potential robustness of learned sequentiality against label noise. Future research may want to look into how previous explanations of transformers, such as induction heads and task vectors, relate to sequentiality in ICL in these toy examples. Our investigation lays the groundwork for further research into how transformers process and perceive sequential data.

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

Recent advancements in transformer-based models have initiated research interests in investigating their ability to learn to perform reasoning tasks. However, most of the contexts used for this purpose are in practice very simple: generated from short (fragments of) first-order logic sentences with only a few logical operators and quantifiers. In this work, we construct the natural language dataset, DELTA_D, using the description logic language ALCQ. DELTA_D contains 384K examples, and increases in two dimensions: i) reasoning depth, and ii) linguistic complexity. In this way, we systematically investigate the reasoning ability of a supervised fine-tuned DeBERTa-based model and of two large language models (GPT-3.5, GPT-4) with few-shot prompting. Our results demonstrate that the DeBERTa-based model can master the reasoning task and that the performance of GPTs can improve significantly even when a small number of samples is provided (9 shots). We open-source our code and datasets.

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.

Large transformer models pretrained on offline reinforcement learning datasets have demonstrated remarkable in-context reinforcement learning (ICRL) capabilities, where they can make good decisions when prompted with interaction trajectories from unseen environments. However, when and how transformers can be trained to perform ICRL have not been theoretically well-understood. In particular, it is unclear which reinforcement-learning algorithms transformers can perform in context, and how distribution mismatch in offline training data affects the learned algorithms. This paper provides a theoretical framework that analyzes supervised pretraining for ICRL. This includes two recently proposed training methods -- algorithm distillation and decision-pretrained transformers. First, assuming model realizability, we prove the supervised-pretrained transformer will imitate the conditional expectation of the expert algorithm given the observed trajectory. The generalization error will scale with model capacity and a distribution divergence factor between the expert and offline algorithms. Second, we show transformers with ReLU attention can efficiently approximate near-optimal online reinforcement learning algorithms like LinUCB and Thompson sampling for stochastic linear bandits, and UCB-VI for tabular Markov decision processes. This provides the first quantitative analysis of the ICRL capabilities of transformers pretrained from offline trajectories.

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

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens X and makes them interact through pairwise similarities computed as softmax(XQK^top X^top), where (K,Q) are the trainable key-query parameters. In this work, we establish a formal equivalence between the optimization geometry of self-attention and a hard-margin SVM problem that separates optimal input tokens from non-optimal tokens using linear constraints on the outer-products of token pairs. This formalism allows us to characterize the implicit bias of 1-layer transformers optimized with gradient descent: (1) Optimizing the attention layer with vanishing regularization, parameterized by (K,Q), converges in direction to an SVM solution minimizing the nuclear norm of the combined parameter W=KQ^top. Instead, directly parameterizing by W minimizes a Frobenius norm objective. We characterize this convergence, highlighting that it can occur toward locally-optimal directions rather than global ones. (2) Complementing this, we prove the local/global directional convergence of gradient descent under suitable geometric conditions. Importantly, we show that over-parameterization catalyzes global convergence by ensuring the feasibility of the SVM problem and by guaranteeing a benign optimization landscape devoid of stationary points. (3) While our theory applies primarily to linear prediction heads, we propose a more general SVM equivalence that predicts the implicit bias with nonlinear heads. Our findings are applicable to arbitrary datasets and their validity is verified via experiments. We also introduce several open problems and research directions. We believe these findings inspire the interpretation of transformers as a hierarchy of SVMs that separates and selects optimal tokens.

In this paper we delve into the properties of transformers, attained through self-supervision, in the point cloud domain. Specifically, we evaluate the effectiveness of Masked Autoencoding as a pretraining scheme, and explore Momentum Contrast as an alternative. In our study we investigate the impact of data quantity on the learned features, and uncover similarities in the transformer's behavior across domains. Through comprehensive visualiations, we observe that the transformer learns to attend to semantically meaningful regions, indicating that pretraining leads to a better understanding of the underlying geometry. Moreover, we examine the finetuning process and its effect on the learned representations. Based on that, we devise an unfreezing strategy which consistently outperforms our baseline without introducing any other modifications to the model or the training pipeline, and achieve state-of-the-art results in the classification task among transformer models.

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

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

Transformers for graph data are increasingly widely studied and successful in numerous learning tasks. Graph inductive biases are crucial for Graph Transformers, and previous works incorporate them using message-passing modules and/or positional encodings. However, Graph Transformers that use message-passing inherit known issues of message-passing, and differ significantly from Transformers used in other domains, thus making transfer of research advances more difficult. On the other hand, Graph Transformers without message-passing often perform poorly on smaller datasets, where inductive biases are more crucial. To bridge this gap, we propose the Graph Inductive bias Transformer (GRIT) -- a new Graph Transformer that incorporates graph inductive biases without using message passing. GRIT is based on several architectural changes that are each theoretically and empirically justified, including: learned relative positional encodings initialized with random walk probabilities, a flexible attention mechanism that updates node and node-pair representations, and injection of degree information in each layer. We prove that GRIT is expressive -- it can express shortest path distances and various graph propagation matrices. GRIT achieves state-of-the-art empirical performance across a variety of graph datasets, thus showing the power that Graph Transformers without message-passing can deliver.

Transformers have achieved great success in machine learning applications. Normalization techniques, such as Layer Normalization (LayerNorm, LN) and Root Mean Square Normalization (RMSNorm), play a critical role in accelerating and stabilizing the training of Transformers. While LayerNorm recenters and rescales input vectors, RMSNorm only rescales the vectors by their RMS value. Despite being more computationally efficient, RMSNorm may compromise the representation ability of Transformers. There is currently no consensus regarding the preferred normalization technique, as some models employ LayerNorm while others utilize RMSNorm, especially in recent large language models. It is challenging to convert Transformers with one normalization to the other type. While there is an ongoing disagreement between the two normalization types, we propose a solution to unify two mainstream Transformer architectures, Pre-LN and Pre-RMSNorm Transformers. By removing the inherent redundant mean information in the main branch of Pre-LN Transformers, we can reduce LayerNorm to RMSNorm, achieving higher efficiency. We further propose the Compressed RMSNorm (CRMSNorm) and Pre-CRMSNorm Transformer based on a lossless compression of the zero-mean vectors. We formally establish the equivalence of Pre-LN, Pre-RMSNorm, and Pre-CRMSNorm Transformer variants in both training and inference. It implies that Pre-LN Transformers can be substituted with Pre-(C)RMSNorm counterparts at almost no cost, offering the same arithmetic functionality along with free efficiency improvement. Experiments demonstrate that we can reduce the training and inference time of Pre-LN Transformers by 1% - 10%.

The remarkable success of transformers in the field of natural language processing has sparked the interest of the speech-processing community, leading to an exploration of their potential for modeling long-range dependencies within speech sequences. Recently, transformers have gained prominence across various speech-related domains, including automatic speech recognition, speech synthesis, speech translation, speech para-linguistics, speech enhancement, spoken dialogue systems, and numerous multimodal applications. In this paper, we present a comprehensive survey that aims to bridge research studies from diverse subfields within speech technology. By consolidating findings from across the speech technology landscape, we provide a valuable resource for researchers interested in harnessing the power of transformers to advance the field. We identify the challenges encountered by transformers in speech processing while also offering insights into potential solutions to address these issues.

While the successes of transformers across many domains are indisputable, accurate understanding of the learning mechanics is still largely lacking. Their capabilities have been probed on benchmarks which include a variety of structured and reasoning tasks -- but mathematical understanding is lagging substantially behind. Recent lines of work have begun studying representational aspects of this question: that is, the size/depth/complexity of attention-based networks to perform certain tasks. However, there is no guarantee the learning dynamics will converge to the constructions proposed. In our paper, we provide fine-grained mechanistic understanding of how transformers learn "semantic structure", understood as capturing co-occurrence structure of words. Precisely, we show, through a combination of experiments on synthetic data modeled by Latent Dirichlet Allocation (LDA), Wikipedia data, and mathematical analysis that the embedding layer and the self-attention layer encode the topical structure. In the former case, this manifests as higher average inner product of embeddings between same-topic words. In the latter, it manifests as higher average pairwise attention between same-topic words. The mathematical results involve several assumptions to make the analysis tractable, which we verify on data, and might be of independent interest as well.

Despite their remarkable achievement, gigantic transformers encounter significant drawbacks, including exorbitant computational and memory footprints during training, as well as severe collapse evidenced by a high degree of parameter redundancy. Sparsely-activated Mixture-of-Experts (SMoEs) have shown promise to mitigate the issue of training efficiency, yet they are prone to (1) redundant experts due to representational collapse; and (2) poor expert scalability for inference and downstream fine-tuning, primarily due to overfitting of the learned routing policy to the number of activated experts during training. As recent research efforts are predominantly focused on improving routing policies to encourage expert specializations, this work focuses on exploring the overlooked scalability bottleneck of SMoEs and leveraging it to effectively scale dense transformers. To this end, we propose a new plug-and-play training framework, SMoE-Dropout, to enable scaling transformers to better accuracy in their full capacity without collapse. Specifically, SMoE-Dropout consists of a randomly initialized and fixed router network to activate experts and gradually increases the activated expert number as training progresses over time. Transformers trained by SMoE-Dropout naturally exhibit a self-slimmable property subject to resource availability, offering smooth and consistent performance boosts with an increase in activated experts during inference or fine-tuning. Our extensive experiments demonstrate the superior performance and substantial computation savings of SMoE-Dropout, compared to dense training baselines with equivalent parameter counts. In particular, our trained BERT outperforms its densely trained counterpart with consistent improvements of {1.03%, 0.78%, 1.09%} on challenging reasoning tasks {ASDiv-A, MAWPS, SVAMP}, respectively.

Given that Transformers are ubiquitous in wide tasks, interpreting their internals is a pivotal issue. Still, their particular components, feed-forward (FF) blocks, have typically been less analyzed despite their substantial parameter amounts. We analyze the input contextualization effects of FF blocks by rendering them in the attention maps as a human-friendly visualization scheme. Our experiments with both masked- and causal-language models reveal that FF networks modify the input contextualization to emphasize specific types of linguistic compositions. In addition, FF and its surrounding components tend to cancel out each other's effects, suggesting potential redundancy in the processing of the Transformer layer.

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

In-context learning (ICL) is a type of prompting where a transformer model operates on a sequence of (input, output) examples and performs inference on-the-fly. In this work, we formalize in-context learning as an algorithm learning problem where a transformer model implicitly constructs a hypothesis function at inference-time. We first explore the statistical aspects of this abstraction through the lens of multitask learning: We obtain generalization bounds for ICL when the input prompt is (1) a sequence of i.i.d. (input, label) pairs or (2) a trajectory arising from a dynamical system. The crux of our analysis is relating the excess risk to the stability of the algorithm implemented by the transformer. We characterize when transformer/attention architecture provably obeys the stability condition and also provide empirical verification. For generalization on unseen tasks, we identify an inductive bias phenomenon in which the transfer learning risk is governed by the task complexity and the number of MTL tasks in a highly predictable manner. Finally, we provide numerical evaluations that (1) demonstrate transformers can indeed implement near-optimal algorithms on classical regression problems with i.i.d. and dynamic data, (2) provide insights on stability, and (3) verify our theoretical predictions.

Transformer has been considered the dominating neural architecture in NLP and CV, mostly under supervised settings. Recently, a similar surge of using Transformers has appeared in the domain of reinforcement learning (RL), but it is faced with unique design choices and challenges brought by the nature of RL. However, the evolution of Transformers in RL has not yet been well unraveled. In this paper, we seek to systematically review motivations and progress on using Transformers in RL, provide a taxonomy on existing works, discuss each sub-field, and summarize future prospects.

The success of deep learning heavily relies on large-scale data with comprehensive labels, which is more expensive and time-consuming to fetch in 3D compared to 2D images or natural languages. This promotes the potential of utilizing models pretrained with data more than 3D as teachers for cross-modal knowledge transferring. In this paper, we revisit masked modeling in a unified fashion of knowledge distillation, and we show that foundational Transformers pretrained with 2D images or natural languages can help self-supervised 3D representation learning through training Autoencoders as Cross-Modal Teachers (ACT). The pretrained Transformers are transferred as cross-modal 3D teachers using discrete variational autoencoding self-supervision, during which the Transformers are frozen with prompt tuning for better knowledge inheritance. The latent features encoded by the 3D teachers are used as the target of masked point modeling, wherein the dark knowledge is distilled to the 3D Transformer students as foundational geometry understanding. Our ACT pretrained 3D learner achieves state-of-the-art generalization capacity across various downstream benchmarks, e.g., 88.21% overall accuracy on ScanObjectNN. Codes have been released at https://github.com/RunpeiDong/ACT.

Short text classification is a crucial and challenging aspect of Natural Language Processing. For this reason, there are numerous highly specialized short text classifiers. However, in recent short text research, State of the Art (SOTA) methods for traditional text classification, particularly the pure use of Transformers, have been unexploited. In this work, we examine the performance of a variety of short text classifiers as well as the top performing traditional text classifier. We further investigate the effects on two new real-world short text datasets in an effort to address the issue of becoming overly dependent on benchmark datasets with a limited number of characteristics. Our experiments unambiguously demonstrate that Transformers achieve SOTA accuracy on short text classification tasks, raising the question of whether specialized short text techniques are necessary.

Transformers achieve unrivalled performance in modelling language, but remain inefficient in terms of memory and time complexity. A possible remedy is to reduce the sequence length in the intermediate layers by pooling fixed-length segments of tokens. Nevertheless, natural units of meaning, such as words or phrases, display varying sizes. To address this mismatch, we equip language models with a dynamic-pooling mechanism, which predicts segment boundaries in an autoregressive fashion. We compare several methods to infer boundaries, including end-to-end learning through stochastic re-parameterisation, supervised learning (based on segmentations from subword tokenizers or spikes in conditional entropy), as well as linguistically motivated boundaries. We perform character-level evaluation on texts from multiple datasets and morphologically diverse languages. The results demonstrate that dynamic pooling, which jointly segments and models language, is both faster and more accurate than vanilla Transformers and fixed-length pooling within the same computational budget.

A 20% rise in car crashes in 2021 compared to 2020 has been observed as a result of increased distraction and drowsiness. Drowsy and distracted driving are the cause of 45% of all car crashes. As a means to decrease drowsy and distracted driving, detection methods using computer vision can be designed to be low-cost, accurate, and minimally invasive. This work investigated the use of the vision transformer to outperform state-of-the-art accuracy from 3D-CNNs. Two separate transformers were trained for drowsiness and distractedness. The drowsy video transformer model was trained on the National Tsing-Hua University Drowsy Driving Dataset (NTHU-DDD) with a Video Swin Transformer model for 10 epochs on two classes -- drowsy and non-drowsy simulated over 10.5 hours. The distracted video transformer was trained on the Driver Monitoring Dataset (DMD) with Video Swin Transformer for 50 epochs over 9 distraction-related classes. The accuracy of the drowsiness model reached 44% and a high loss value on the test set, indicating overfitting and poor model performance. Overfitting indicates limited training data and applied model architecture lacked quantifiable parameters to learn. The distracted model outperformed state-of-the-art models on DMD reaching 97.5%, indicating that with sufficient data and a strong architecture, transformers are suitable for unfit driving detection. Future research should use newer and stronger models such as TokenLearner to achieve higher accuracy and efficiency, merge existing datasets to expand to detecting drunk driving and road rage to create a comprehensive solution to prevent traffic crashes, and deploying a functioning prototype to revolutionize the automotive safety industry.

Every home is different, and every person likes things done in their particular way. Therefore, home robots of the future need to both reason about the sequential nature of day-to-day tasks and generalize to user's preferences. To this end, we propose a Transformer Task Planner(TTP) that learns high-level actions from demonstrations by leveraging object attribute-based representations. TTP can be pre-trained on multiple preferences and shows generalization to unseen preferences using a single demonstration as a prompt in a simulated dishwasher loading task. Further, we demonstrate real-world dish rearrangement using TTP with a Franka Panda robotic arm, prompted using a single human demonstration.

The transformer architecture and variants presented remarkable success across many machine learning tasks in recent years. This success is intrinsically related to the capability of handling long sequences and the presence of context-dependent weights from the attention mechanism. We argue that these capabilities suit the central role of a Meta-Reinforcement Learning algorithm. Indeed, a meta-RL agent needs to infer the task from a sequence of trajectories. Furthermore, it requires a fast adaptation strategy to adapt its policy for a new task -- which can be achieved using the self-attention mechanism. In this work, we present TrMRL (Transformers for Meta-Reinforcement Learning), a meta-RL agent that mimics the memory reinstatement mechanism using the transformer architecture. It associates the recent past of working memories to build an episodic memory recursively through the transformer layers. We show that the self-attention computes a consensus representation that minimizes the Bayes Risk at each layer and provides meaningful features to compute the best actions. We conducted experiments in high-dimensional continuous control environments for locomotion and dexterous manipulation. Results show that TrMRL presents comparable or superior asymptotic performance, sample efficiency, and out-of-distribution generalization compared to the baselines in these environments.

Transformers have achieved great success in pluralistic image inpainting recently. However, we find existing transformer based solutions regard each pixel as a token, thus suffer from information loss issue from two aspects: 1) They downsample the input image into much lower resolutions for efficiency consideration, incurring information loss and extra misalignment for the boundaries of masked regions. 2) They quantize 256^3 RGB pixels to a small number (such as 512) of quantized pixels. The indices of quantized pixels are used as tokens for the inputs and prediction targets of transformer. Although an extra CNN network is used to upsample and refine the low-resolution results, it is difficult to retrieve the lost information back.To keep input information as much as possible, we propose a new transformer based framework "PUT". Specifically, to avoid input downsampling while maintaining the computation efficiency, we design a patch-based auto-encoder P-VQVAE, where the encoder converts the masked image into non-overlapped patch tokens and the decoder recovers the masked regions from inpainted tokens while keeping the unmasked regions unchanged. To eliminate the information loss caused by quantization, an Un-Quantized Transformer (UQ-Transformer) is applied, which directly takes the features from P-VQVAE encoder as input without quantization and regards the quantized tokens only as prediction targets. Extensive experiments show that PUT greatly outperforms state-of-the-art methods on image fidelity, especially for large masked regions and complex large-scale datasets. Code is available at https://github.com/liuqk3/PUT

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

Transformers trained with self-supervised learning using self-distillation loss (DINO) have been shown to produce attention maps that highlight salient foreground objects. In this paper, we demonstrate a graph-based approach that uses the self-supervised transformer features to discover an object from an image. Visual tokens are viewed as nodes in a weighted graph with edges representing a connectivity score based on the similarity of tokens. Foreground objects can then be segmented using a normalized graph-cut to group self-similar regions. We solve the graph-cut problem using spectral clustering with generalized eigen-decomposition and show that the second smallest eigenvector provides a cutting solution since its absolute value indicates the likelihood that a token belongs to a foreground object. Despite its simplicity, this approach significantly boosts the performance of unsupervised object discovery: we improve over the recent state of the art LOST by a margin of 6.9%, 8.1%, and 8.1% respectively on the VOC07, VOC12, and COCO20K. The performance can be further improved by adding a second stage class-agnostic detector (CAD). Our proposed method can be easily extended to unsupervised saliency detection and weakly supervised object detection. For unsupervised saliency detection, we improve IoU for 4.9%, 5.2%, 12.9% on ECSSD, DUTS, DUT-OMRON respectively compared to previous state of the art. For weakly supervised object detection, we achieve competitive performance on CUB and ImageNet.

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

Transformers have been actively studied for time-series forecasting in recent years. While often showing promising results in various scenarios, traditional Transformers are not designed to fully exploit the characteristics of time-series data and thus suffer some fundamental limitations, e.g., they generally lack of decomposition capability and interpretability, and are neither effective nor efficient for long-term forecasting. In this paper, we propose ETSFormer, a novel time-series Transformer architecture, which exploits the principle of exponential smoothing in improving Transformers for time-series forecasting. In particular, inspired by the classical exponential smoothing methods in time-series forecasting, we propose the novel exponential smoothing attention (ESA) and frequency attention (FA) to replace the self-attention mechanism in vanilla Transformers, thus improving both accuracy and efficiency. Based on these, we redesign the Transformer architecture with modular decomposition blocks such that it can learn to decompose the time-series data into interpretable time-series components such as level, growth and seasonality. Extensive experiments on various time-series benchmarks validate the efficacy and advantages of the proposed method. Code is available at https://github.com/salesforce/ETSformer.

Transformers-based models, such as BERT, have dramatically improved the performance for various natural language processing tasks. The clinical knowledge enriched model, namely ClinicalBERT, also achieved state-of-the-art results when performed on clinical named entity recognition and natural language inference tasks. One of the core limitations of these transformers is the substantial memory consumption due to their full self-attention mechanism. To overcome this, long sequence transformer models, e.g. Longformer and BigBird, were proposed with the idea of sparse attention mechanism to reduce the memory usage from quadratic to the sequence length to a linear scale. These models extended the maximum input sequence length from 512 to 4096, which enhanced the ability of modeling long-term dependency and consequently achieved optimal results in a variety of tasks. Inspired by the success of these long sequence transformer models, we introduce two domain enriched language models, namely Clinical-Longformer and Clinical-BigBird, which are pre-trained from large-scale clinical corpora. We evaluate both pre-trained models using 10 baseline tasks including named entity recognition, question answering, and document classification tasks. The results demonstrate that Clinical-Longformer and Clinical-BigBird consistently and significantly outperform ClinicalBERT as well as other short-sequence transformers in all downstream tasks. We have made our source code available at [https://github.com/luoyuanlab/Clinical-Longformer] the pre-trained models available for public download at: [https://huggingface.co/yikuan8/Clinical-Longformer].

Transformers have been successful in many vision tasks, thanks to their capability of capturing long-range dependency. However, their quadratic computational complexity poses a major obstacle for applying them to vision tasks requiring dense predictions, such as object detection, feature matching, stereo, etc. We introduce QuadTree Attention, which reduces the computational complexity from quadratic to linear. Our quadtree transformer builds token pyramids and computes attention in a coarse-to-fine manner. At each level, the top K patches with the highest attention scores are selected, such that at the next level, attention is only evaluated within the relevant regions corresponding to these top K patches. We demonstrate that quadtree attention achieves state-of-the-art performance in various vision tasks, e.g. with 4.0% improvement in feature matching on ScanNet, about 50% flops reduction in stereo matching, 0.4-1.5% improvement in top-1 accuracy on ImageNet classification, 1.2-1.8% improvement on COCO object detection, and 0.7-2.4% improvement on semantic segmentation over previous state-of-the-art transformers. The codes are available at https://github.com/Tangshitao/QuadtreeAttention.

Transformers are responsible for the vast majority of recent advances in natural language processing. The majority of practical natural language processing applications of these models are typically enabled through transfer learning. This paper studies if corpus-specific tokenization used for fine-tuning improves the resulting performance of the model. Through a series of experiments, we demonstrate that such tokenization combined with the initialization and fine-tuning strategy for the vocabulary tokens speeds up the transfer and boosts the performance of the fine-tuned model. We call this aspect of transfer facilitation vocabulary transfer.

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs leverage large-scale machine learning techniques to approximate a large set of posteriors. The only requirement for PFNs to work is the ability to sample from a prior distribution over supervised learning tasks (or functions). Our method restates the objective of posterior approximation as a supervised classification problem with a set-valued input: it repeatedly draws a task (or function) from the prior, draws a set of data points and their labels from it, masks one of the labels and learns to make probabilistic predictions for it based on the set-valued input of the rest of the data points. Presented with a set of samples from a new supervised learning task as input, PFNs make probabilistic predictions for arbitrary other data points in a single forward propagation, having learned to approximate Bayesian inference. We demonstrate that PFNs can near-perfectly mimic Gaussian processes and also enable efficient Bayesian inference for intractable problems, with over 200-fold speedups in multiple setups compared to current methods. We obtain strong results in very diverse areas such as Gaussian process regression, Bayesian neural networks, classification for small tabular data sets, and few-shot image classification, demonstrating the generality of PFNs. Code and trained PFNs are released at https://github.com/automl/TransformersCanDoBayesianInference.

Investigating the reasoning abilities of transformer models, and discovering new challenging tasks for them, has been a topic of much interest. Recent studies have found these models to be surprisingly strong at performing deductive reasoning over formal logical theories expressed in natural language. A shortcoming of these studies, however, is that they do not take into account that logical theories, when sampled uniformly at random, do not necessarily lead to hard instances. We propose a new methodology for creating challenging algorithmic reasoning datasets that focus on natural language satisfiability (NLSat) problems. The key idea is to draw insights from empirical sampling of hard propositional SAT problems and from complexity-theoretic studies of language. This methodology allows us to distinguish easy from hard instances, and to systematically increase the complexity of existing reasoning benchmarks such as RuleTaker. We find that current transformers, given sufficient training data, are surprisingly robust at solving the resulting NLSat problems of substantially increased difficulty. They also exhibit some degree of scale-invariance - the ability to generalize to problems of larger size and scope. Our results, however, reveal important limitations too: a careful sampling of training data is crucial for building models that generalize to larger problems, and transformer models' limited scale-invariance suggests they are far from learning robust deductive reasoning algorithms.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

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

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

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

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

Transformers have shown improved performance when compared to previous architectures for sequence processing such as RNNs. Despite their sizeable performance gains, as recently suggested, the model is computationally expensive to train and with a high parameter budget. In light of this, we explore parameter-sharing methods in Transformers with a specific focus on generative models. We perform an analysis of different parameter sharing/reduction methods and develop the Subformer. Our model combines sandwich-style parameter sharing, which overcomes naive cross-layer parameter sharing in generative models, and self-attentive embedding factorization (SAFE). Experiments on machine translation, abstractive summarization and language modeling show that the Subformer can outperform the Transformer even when using significantly fewer parameters.

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 .

The goal of text ranking is to generate an ordered list of texts retrieved from a corpus in response to a query. Although the most common formulation of text ranking is search, instances of the task can also be found in many natural language processing applications. This survey provides an overview of text ranking with neural network architectures known as transformers, of which BERT is the best-known example. The combination of transformers and self-supervised pretraining has been responsible for a paradigm shift in natural language processing (NLP), information retrieval (IR), and beyond. In this survey, we provide a synthesis of existing work as a single point of entry for practitioners who wish to gain a better understanding of how to apply transformers to text ranking problems and researchers who wish to pursue work in this area. We cover a wide range of modern techniques, grouped into two high-level categories: transformer models that perform reranking in multi-stage architectures and dense retrieval techniques that perform ranking directly. There are two themes that pervade our survey: techniques for handling long documents, beyond typical sentence-by-sentence processing in NLP, and techniques for addressing the tradeoff between effectiveness (i.e., result quality) and efficiency (e.g., query latency, model and index size). Although transformer architectures and pretraining techniques are recent innovations, many aspects of how they are applied to text ranking are relatively well understood and represent mature techniques. However, there remain many open research questions, and thus in addition to laying out the foundations of pretrained transformers for text ranking, this survey also attempts to prognosticate where the field is heading.

Transformers are one of the most important machine learning workloads today. Training one is a very compute-intensive task, often taking days or weeks, and significant attention has been given to optimizing transformers. Despite this, existing implementations do not efficiently utilize GPUs. We find that data movement is the key bottleneck when training. Due to Amdahl's Law and massive improvements in compute performance, training has now become memory-bound. Further, existing frameworks use suboptimal data layouts. Using these insights, we present a recipe for globally optimizing data movement in transformers. We reduce data movement by up to 22.91% and overall achieve a 1.30x performance improvement over state-of-the-art frameworks when training a BERT encoder layer and 1.19x for the entire BERT. Our approach is applicable more broadly to optimizing deep neural networks, and offers insight into how to tackle emerging performance bottlenecks.

Beginning with McCarthy's Advice Taker (1959), AI has pursued the goal of providing a system with explicit, general knowledge and having the system reason over that knowledge. However, expressing the knowledge in a formal (logical or probabilistic) representation has been a major obstacle to this research. This paper investigates a modern approach to this problem where the facts and rules are provided as natural language sentences, thus bypassing a formal representation. We train transformers to reason (or emulate reasoning) over these sentences using synthetically generated data. Our models, that we call RuleTakers, provide the first empirical demonstration that this kind of soft reasoning over language is learnable, can achieve high (99%) accuracy, and generalizes to test data requiring substantially deeper chaining than seen during training (95%+ scores). We also demonstrate that the models transfer well to two hand-authored rulebases, and to rulebases paraphrased into more natural language. These findings are significant as it suggests a new role for transformers, namely as limited "soft theorem provers" operating over explicit theories in language. This in turn suggests new possibilities for explainability, correctability, and counterfactual reasoning in question-answering.