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Dec 19

Universal Approximation Theorem for a Single-Layer Transformer

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

  • 1 authors
·
Jul 11

Filtering with Self-Attention and Storing with MLP: One-Layer Transformers Can Provably Acquire and Extract Knowledge

Modern large language models excel in knowledge-intensive tasks, yet how transformers acquire (store) knowledge during pre-training and extract (retrieve) it during post-fine-tuning inference remains theoretically opaque. While prior theoretical work has begun to investigate these questions through the analysis of training dynamics, such studies are limited to single-layer, attention-only architectures. However, most existing studies suggest that MLPs are the most contributing components for storing knowledge in transformer-based language models. Meanwhile, our empirical investigations reveal that such simplified models, when trained using standard next-token prediction objectives, may be incapable of acquiring or extracting factual knowledge. To overcome this limitation, we introduce a tractable one-layer transformer framework that crucially incorporates both self-attention and MLP modules. By tracking its gradient dynamics, we establish convergence and generalization guarantees that illuminate the ability of knowledge acquisition and extraction. We prove that 1) Transformers can achieve near-optimal training loss during pre-training, signifying effective knowledge acquisition; 2) With a large fine-tuning dataset and specific data multiplicity conditions met, transformers can achieve low generalization error when tested on factual knowledge learned during pre-training but not reinforced during the fine-tuning, indicating successful knowledge extraction; 3) When the conditions are not satisfied, transformers exhibit high generalization loss, resulting in hallucinations. Our analysis includes both full fine-tuning and low-rank fine-tuning. Furthermore, our analysis offers theoretical insights into several pertinent empirical phenomena, such as the role of learning rate schedules. Experiments on synthetic and real-world PopQA datasets with GPT-2 and Llama-3.2-1B validate our results.

  • 2 authors
·
Jul 28

Wide Attention Is The Way Forward For Transformers?

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

  • 4 authors
·
Oct 2, 2022

Learning Unmasking Policies for Diffusion Language Models

Diffusion (Large) Language Models (dLLMs) now match the downstream performance of their autoregressive counterparts on many tasks, while holding the promise of being more efficient during inference. One particularly successful variant is masked discrete diffusion, in which a buffer filled with special mask tokens is progressively replaced with tokens sampled from the model's vocabulary. Efficiency can be gained by unmasking several tokens in parallel, but doing too many at once risks degrading the generation quality. Thus, one critical design aspect of dLLMs is the sampling procedure that selects, at each step of the diffusion process, which tokens to replace. Indeed, recent work has found that heuristic strategies such as confidence thresholding lead to both higher quality and token throughput compared to random unmasking. However, such heuristics have downsides: they require manual tuning, and we observe that their performance degrades with larger buffer sizes. In this work, we instead propose to train sampling procedures using reinforcement learning. Specifically, we formalize masked diffusion sampling as a Markov decision process in which the dLLM serves as the environment, and propose a lightweight policy architecture based on a single-layer transformer that maps dLLM token confidences to unmasking decisions. Our experiments show that these trained policies match the performance of state-of-the-art heuristics when combined with semi-autoregressive generation, while outperforming them in the full diffusion setting. We also examine the transferability of these policies, finding that they can generalize to new underlying dLLMs and longer sequence lengths. However, we also observe that their performance degrades when applied to out-of-domain data, and that fine-grained tuning of the accuracy-efficiency trade-off can be challenging with our approach.

apple Apple
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Dec 9 2

Hallucination reduction with CASAL: Contrastive Activation Steering For Amortized Learning

Large Language Models (LLMs) exhibit impressive capabilities but often hallucinate, confidently providing incorrect answers instead of admitting ignorance. Prior work has shown that models encode linear representations of their own knowledge and that activation steering can reduce hallucinations. These approaches, however, require real-time monitoring and intervention during inference. We introduce Contrastive Activation Steering for Amortized Learning (CASAL), an efficient algorithm that connects interpretability with amortized optimization. CASAL directly bakes the benefits of activation steering into model's weights. Once trained, LLMs answer questions they know while abstaining from answering those they do not. CASAL's light-weight design requires training only a submodule of a single transformer layer and yet reduces hallucination by 30%-40% across multiple short-form QA benchmarks. CASAL is 30x more compute-efficient and 20x more data-efficient than strong LoRA-based baselines such as SFT and DPO, boosting its practical applicability in data scarce domains. Importantly, CASAL also generalizes effectively to out-of-distribution (OOD) domains. We showcase CASAL's flexibility in mitigating hallucinations in both text-only and vision-language models. To our knowledge, CASAL is the first steering-based training method that has been shown to be effective for both dense and Mixture-of-Experts (MoE) models. CASAL represents a promising step forward for applying interpretability-inspired method for practical deployment in production systems.

  • 8 authors
·
Sep 25

What can a Single Attention Layer Learn? A Study Through the Random Features Lens

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

  • 4 authors
·
Jul 21, 2023

One Step of Gradient Descent is Provably the Optimal In-Context Learner with One Layer of Linear Self-Attention

Recent works have empirically analyzed in-context learning and shown that transformers trained on synthetic linear regression tasks can learn to implement ridge regression, which is the Bayes-optimal predictor, given sufficient capacity [Aky\"urek et al., 2023], while one-layer transformers with linear self-attention and no MLP layer will learn to implement one step of gradient descent (GD) on a least-squares linear regression objective [von Oswald et al., 2022]. However, the theory behind these observations remains poorly understood. We theoretically study transformers with a single layer of linear self-attention, trained on synthetic noisy linear regression data. First, we mathematically show that when the covariates are drawn from a standard Gaussian distribution, the one-layer transformer which minimizes the pre-training loss will implement a single step of GD on the least-squares linear regression objective. Then, we find that changing the distribution of the covariates and weight vector to a non-isotropic Gaussian distribution has a strong impact on the learned algorithm: the global minimizer of the pre-training loss now implements a single step of pre-conditioned GD. However, if only the distribution of the responses is changed, then this does not have a large effect on the learned algorithm: even when the response comes from a more general family of nonlinear functions, the global minimizer of the pre-training loss still implements a single step of GD on a least-squares linear regression objective.

  • 3 authors
·
Jul 7, 2023

Llasa: Scaling Train-Time and Inference-Time Compute for Llama-based Speech Synthesis

Recent advances in text-based large language models (LLMs), particularly in the GPT series and the o1 model, have demonstrated the effectiveness of scaling both training-time and inference-time compute. However, current state-of-the-art TTS systems leveraging LLMs are often multi-stage, requiring separate models (e.g., diffusion models after LLM), complicating the decision of whether to scale a particular model during training or testing. This work makes the following contributions: First, we explore the scaling of train-time and inference-time compute for speech synthesis. Second, we propose a simple framework Llasa for speech synthesis that employs a single-layer vector quantizer (VQ) codec and a single Transformer architecture to fully align with standard LLMs such as Llama. Our experiments reveal that scaling train-time compute for Llasa consistently improves the naturalness of synthesized speech and enables the generation of more complex and accurate prosody patterns. Furthermore, from the perspective of scaling inference-time compute, we employ speech understanding models as verifiers during the search, finding that scaling inference-time compute shifts the sampling modes toward the preferences of specific verifiers, thereby improving emotional expressiveness, timbre consistency, and content accuracy. In addition, we released the checkpoint and training code for our TTS model (1B, 3B, 8B) and codec model publicly available.

GPipe: Efficient Training of Giant Neural Networks using Pipeline Parallelism

Scaling up deep neural network capacity has been known as an effective approach to improving model quality for several different machine learning tasks. In many cases, increasing model capacity beyond the memory limit of a single accelerator has required developing special algorithms or infrastructure. These solutions are often architecture-specific and do not transfer to other tasks. To address the need for efficient and task-independent model parallelism, we introduce GPipe, a pipeline parallelism library that allows scaling any network that can be expressed as a sequence of layers. By pipelining different sub-sequences of layers on separate accelerators, GPipe provides the flexibility of scaling a variety of different networks to gigantic sizes efficiently. Moreover, GPipe utilizes a novel batch-splitting pipelining algorithm, resulting in almost linear speedup when a model is partitioned across multiple accelerators. We demonstrate the advantages of GPipe by training large-scale neural networks on two different tasks with distinct network architectures: (i) Image Classification: We train a 557-million-parameter AmoebaNet model and attain a top-1 accuracy of 84.4% on ImageNet-2012, (ii) Multilingual Neural Machine Translation: We train a single 6-billion-parameter, 128-layer Transformer model on a corpus spanning over 100 languages and achieve better quality than all bilingual models.

  • 11 authors
·
Nov 16, 2018

Generalization or Hallucination? Understanding Out-of-Context Reasoning in Transformers

Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.

  • 8 authors
·
Jun 12

Understanding writing style in social media with a supervised contrastively pre-trained transformer

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

  • 3 authors
·
Oct 17, 2023

Fine-tuning of Geospatial Foundation Models for Aboveground Biomass Estimation

Global vegetation structure mapping is critical for understanding the global carbon cycle and maximizing the efficacy of nature-based carbon sequestration initiatives. Moreover, vegetation structure mapping can help reduce the impacts of climate change by, for example, guiding actions to improve water security, increase biodiversity and reduce flood risk. Global satellite measurements provide an important set of observations for monitoring and managing deforestation and degradation of existing forests, natural forest regeneration, reforestation, biodiversity restoration, and the implementation of sustainable agricultural practices. In this paper, we explore the effectiveness of fine-tuning of a geospatial foundation model to estimate above-ground biomass (AGB) using space-borne data collected across different eco-regions in Brazil. The fine-tuned model architecture consisted of a Swin-B transformer as the encoder (i.e., backbone) and a single convolutional layer for the decoder head. All results were compared to a U-Net which was trained as the baseline model Experimental results of this sparse-label prediction task demonstrate that the fine-tuned geospatial foundation model with a frozen encoder has comparable performance to a U-Net trained from scratch. This is despite the fine-tuned model having 13 times less parameters requiring optimization, which saves both time and compute resources. Further, we explore the transfer-learning capabilities of the geospatial foundation models by fine-tuning on satellite imagery with sparse labels from different eco-regions in Brazil.

  • 16 authors
·
Jun 28, 2024

The Closeness of In-Context Learning and Weight Shifting for Softmax Regression

Large language models (LLMs) are known for their exceptional performance in natural language processing, making them highly effective in many human life-related or even job-related tasks. The attention mechanism in the Transformer architecture is a critical component of LLMs, as it allows the model to selectively focus on specific input parts. The softmax unit, which is a key part of the attention mechanism, normalizes the attention scores. Hence, the performance of LLMs in various NLP tasks depends significantly on the crucial role played by the attention mechanism with the softmax unit. In-context learning, as one of the celebrated abilities of recent LLMs, is an important concept in querying LLMs such as ChatGPT. Without further parameter updates, Transformers can learn to predict based on few in-context examples. However, the reason why Transformers becomes in-context learners is not well understood. Recently, several works [ASA+22,GTLV22,ONR+22] have studied the in-context learning from a mathematical perspective based on a linear regression formulation min_x| Ax - b |_2, which show Transformers' capability of learning linear functions in context. In this work, we study the in-context learning based on a softmax regression formulation min_{x} | langle exp(Ax), {bf 1}_n rangle^{-1} exp(Ax) - b |_2 of Transformer's attention mechanism. We show the upper bounds of the data transformations induced by a single self-attention layer and by gradient-descent on a ell_2 regression loss for softmax prediction function, which imply that when training self-attention-only Transformers for fundamental regression tasks, the models learned by gradient-descent and Transformers show great similarity.

  • 5 authors
·
Apr 26, 2023

Relaxed Recursive Transformers: Effective Parameter Sharing with Layer-wise LoRA

Large language models (LLMs) are expensive to deploy. Parameter sharing offers a possible path towards reducing their size and cost, but its effectiveness in modern LLMs remains fairly limited. In this work, we revisit "layer tying" as form of parameter sharing in Transformers, and introduce novel methods for converting existing LLMs into smaller "Recursive Transformers" that share parameters across layers, with minimal loss of performance. Here, our Recursive Transformers are efficiently initialized from standard pretrained Transformers, but only use a single block of unique layers that is then repeated multiple times in a loop. We further improve performance by introducing Relaxed Recursive Transformers that add flexibility to the layer tying constraint via depth-wise low-rank adaptation (LoRA) modules, yet still preserve the compactness of the overall model. We show that our recursive models (e.g., recursive Gemma 1B) outperform both similar-sized vanilla pretrained models (such as TinyLlama 1.1B and Pythia 1B) and knowledge distillation baselines -- and can even recover most of the performance of the original "full-size" model (e.g., Gemma 2B with no shared parameters). Finally, we propose Continuous Depth-wise Batching, a promising new inference paradigm enabled by the Recursive Transformer when paired with early exiting. In a theoretical analysis, we show that this has the potential to lead to significant (2-3x) gains in inference throughput.

  • 6 authors
·
Oct 27, 2024 3

Growing Transformers: Modular Composition and Layer-wise Expansion on a Frozen Substrate

The prevailing paradigm for scaling large language models (LLMs) involves monolithic, end-to-end training, a resource-intensive process that lacks flexibility. This paper explores an alternative, constructive approach to model development, built upon the foundation of non-trainable, deterministic input embeddings. In prior [1], we established that high-level semantic reasoning can emerge in Transformers using frozen embeddings derived from the visual structure of Unicode glyphs. Here, we demonstrate that this fixed representational substrate acts as a universal "docking port," enabling two powerful and efficient scaling paradigms: seamless modular composition and progressive layer-wise growth. First, we show that specialist models trained on disparate datasets (e.g., Russian and Chinese text) can be merged into a single, more capable Mixture-of-Experts (MoE) model, post-training, with zero architectural modification. This is achieved by simply averaging their output logits. The resulting MoE model exhibits immediate performance improvements on reasoning benchmarks like MMLU, surpassing its constituent experts without catastrophic forgetting. Second, we introduce a layer-wise constructive training methodology, where a deep Transformer is "grown" by progressively stacking and training one layer at a time. This method demonstrates stable convergence and a clear correlation between model depth and the emergence of complex reasoning abilities, such as those required for SQuAD. Our findings suggest a paradigm shift from monolithic optimization towards a more biological or constructive model of AI development, where complexity is built incrementally and modules can be composed freely. This opens new avenues for resource-efficient scaling, continual learning, and a more democratized ecosystem for building powerful AI systems. We release all code and models to facilitate further research.

  • 1 authors
·
Jul 8 2

DiffDecompose: Layer-Wise Decomposition of Alpha-Composited Images via Diffusion Transformers

Diffusion models have recently motivated great success in many generation tasks like object removal. Nevertheless, existing image decomposition methods struggle to disentangle semi-transparent or transparent layer occlusions due to mask prior dependencies, static object assumptions, and the lack of datasets. In this paper, we delve into a novel task: Layer-Wise Decomposition of Alpha-Composited Images, aiming to recover constituent layers from single overlapped images under the condition of semi-transparent/transparent alpha layer non-linear occlusion. To address challenges in layer ambiguity, generalization, and data scarcity, we first introduce AlphaBlend, the first large-scale and high-quality dataset for transparent and semi-transparent layer decomposition, supporting six real-world subtasks (e.g., translucent flare removal, semi-transparent cell decomposition, glassware decomposition). Building on this dataset, we present DiffDecompose, a diffusion Transformer-based framework that learns the posterior over possible layer decompositions conditioned on the input image, semantic prompts, and blending type. Rather than regressing alpha mattes directly, DiffDecompose performs In-Context Decomposition, enabling the model to predict one or multiple layers without per-layer supervision, and introduces Layer Position Encoding Cloning to maintain pixel-level correspondence across layers. Extensive experiments on the proposed AlphaBlend dataset and public LOGO dataset verify the effectiveness of DiffDecompose. The code and dataset will be available upon paper acceptance. Our code will be available at: https://github.com/Wangzt1121/DiffDecompose.

  • 6 authors
·
May 24 2

Pluggable Pruning with Contiguous Layer Distillation for Diffusion Transformers

Diffusion Transformers (DiTs) have shown exceptional performance in image generation, yet their large parameter counts incur high computational costs, impeding deployment in resource-constrained settings. To address this, we propose Pluggable Pruning with Contiguous Layer Distillation (PPCL), a flexible structured pruning framework specifically designed for DiT architectures. First, we identify redundant layer intervals through a linear probing mechanism combined with the first-order differential trend analysis of similarity metrics. Subsequently, we propose a plug-and-play teacher-student alternating distillation scheme tailored to integrate depth-wise and width-wise pruning within a single training phase. This distillation framework enables flexible knowledge transfer across diverse pruning ratios, eliminating the need for per-configuration retraining. Extensive experiments on multiple Multi-Modal Diffusion Transformer architecture models demonstrate that PPCL achieves a 50\% reduction in parameter count compared to the full model, with less than 3\% degradation in key objective metrics. Notably, our method maintains high-quality image generation capabilities while achieving higher compression ratios, rendering it well-suited for resource-constrained environments. The open-source code, checkpoints for PPCL can be found at the following link: https://github.com/OPPO-Mente-Lab/Qwen-Image-Pruning.

  • 6 authors
·
Nov 20

NViST: In the Wild New View Synthesis from a Single Image with Transformers

We propose NViST, a transformer-based model for novel-view synthesis from a single image, trained on a large-scale dataset of in-the-wild images with complex backgrounds. NViST transforms image inputs directly into a radiance field, adopting a scalable transformer-based architecture. In practice, NViST exploits the self-supervised features learnt by a masked autoencoder (MAE), and learns a novel decoder that translates features to 3D tokens via cross-attention and adaptive layer normalization. Our model is efficient at inference since only a single forward-pass is needed to predict a 3D representation, unlike methods that require test-time optimization or sampling such as 3D-aware diffusion models. We tackle further limitations of current new-view synthesis models. First, unlike most generative models that are trained in a category-specific manner, often on synthetic datasets or on masked inputs, our model is trained on MVImgNet, a large-scale dataset of real-world, casually-captured videos containing hundreds of object categories with diverse backgrounds. Secondly, our model does not require canonicalization of the training data - i.e. aligning all objects with a frontal view - only needing relative pose at training time which removes a substantial barrier to it being used on casually captured datasets. We show results on unseen objects and categories on MVImgNet and even casual phone captures. We conduct qualitative and quantitative evaluations on MVImgNet and ShapeNet to show that our model represents a step forward towards enabling true in-the-wild novel-view synthesis from a single image.

  • 2 authors
·
Dec 13, 2023 1

Transformers learn in-context by gradient descent

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 .

  • 7 authors
·
Dec 15, 2022

Trained Transformers Learn Linear Models In-Context

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.

  • 3 authors
·
Jun 16, 2023

Moirai-MoE: Empowering Time Series Foundation Models with Sparse Mixture of Experts

Time series foundation models have demonstrated impressive performance as zero-shot forecasters. However, achieving effectively unified training on time series remains an open challenge. Existing approaches introduce some level of model specialization to account for the highly heterogeneous nature of time series data. For instance, Moirai pursues unified training by employing multiple input/output projection layers, each tailored to handle time series at a specific frequency. Similarly, TimesFM maintains a frequency embedding dictionary for this purpose. We identify two major drawbacks to this human-imposed frequency-level model specialization: (1) Frequency is not a reliable indicator of the underlying patterns in time series. For example, time series with different frequencies can display similar patterns, while those with the same frequency may exhibit varied patterns. (2) Non-stationarity is an inherent property of real-world time series, leading to varied distributions even within a short context window of a single time series. Frequency-level specialization is too coarse-grained to capture this level of diversity. To address these limitations, this paper introduces Moirai-MoE, using a single input/output projection layer while delegating the modeling of diverse time series patterns to the sparse mixture of experts (MoE) within Transformers. With these designs, Moirai-MoE reduces reliance on human-defined heuristics and enables automatic token-level specialization. Extensive experiments on 39 datasets demonstrate the superiority of Moirai-MoE over existing foundation models in both in-distribution and zero-shot scenarios. Furthermore, this study conducts comprehensive model analyses to explore the inner workings of time series MoE foundation models and provides valuable insights for future research.

  • 10 authors
·
Oct 14, 2024

Joint Liver and Hepatic Lesion Segmentation in MRI using a Hybrid CNN with Transformer Layers

Deep learning-based segmentation of the liver and hepatic lesions therein steadily gains relevance in clinical practice due to the increasing incidence of liver cancer each year. Whereas various network variants with overall promising results in the field of medical image segmentation have been successfully developed over the last years, almost all of them struggle with the challenge of accurately segmenting hepatic lesions in magnetic resonance imaging (MRI). This led to the idea of combining elements of convolutional and transformer-based architectures to overcome the existing limitations. This work presents a hybrid network called SWTR-Unet, consisting of a pretrained ResNet, transformer blocks as well as a common Unet-style decoder path. This network was primarily applied to single-modality non-contrast-enhanced liver MRI and additionally to the publicly available computed tomography (CT) data of the liver tumor segmentation (LiTS) challenge to verify the applicability on other modalities. For a broader evaluation, multiple state-of-the-art networks were implemented and applied, ensuring a direct comparability. Furthermore, correlation analysis and an ablation study were carried out, to investigate various influencing factors on the segmentation accuracy of the presented method. With Dice scores of averaged 98+-2% for liver and 81+-28% lesion segmentation on the MRI dataset and 97+-2% and 79+-25%, respectively on the CT dataset, the proposed SWTR-Unet proved to be a precise approach for liver and hepatic lesion segmentation with state-of-the-art results for MRI and competing accuracy in CT imaging. The achieved segmentation accuracy was found to be on par with manually performed expert segmentations as indicated by inter-observer variabilities for liver lesion segmentation. In conclusion, the presented method could save valuable time and resources in clinical practice.

  • 7 authors
·
Jan 26, 2022

UltraMemV2: Memory Networks Scaling to 120B Parameters with Superior Long-Context Learning

While Mixture of Experts (MoE) models achieve remarkable efficiency by activating only subsets of parameters, they suffer from high memory access costs during inference. Memory-layer architectures offer an appealing alternative with very few memory access, but previous attempts like UltraMem have only matched the performance of 2-expert MoE models, falling significantly short of state-of-the-art 8-expert configurations. We present UltraMemV2, a redesigned memory-layer architecture that closes this performance gap. Our approach introduces five key improvements: integrating memory layers into every transformer block, simplifying value expansion with single linear projections, adopting FFN-based value processing from PEER, implementing principled parameter initialization, and rebalancing memory-to-FFN computation ratios. Through extensive evaluation, we demonstrate that UltraMemV2 achieves performance parity with 8-expert MoE models under same computation and parameters but significantly low memory access. Notably, UltraMemV2 shows superior performance on memory-intensive tasks, with improvements of +1.6 points on long-context memorization, +6.2 points on multi-round memorization, and +7.9 points on in-context learning. We validate our approach at scale with models up to 2.5B activated parameters from 120B total parameters, and establish that activation density has greater impact on performance than total sparse parameter count. Our work brings memory-layer architectures to performance parity with state-of-the-art MoE models, presenting a compelling alternative for efficient sparse computation.

SHViT: Single-Head Vision Transformer with Memory Efficient Macro Design

Recently, efficient Vision Transformers have shown great performance with low latency on resource-constrained devices. Conventionally, they use 4x4 patch embeddings and a 4-stage structure at the macro level, while utilizing sophisticated attention with multi-head configuration at the micro level. This paper aims to address computational redundancy at all design levels in a memory-efficient manner. We discover that using larger-stride patchify stem not only reduces memory access costs but also achieves competitive performance by leveraging token representations with reduced spatial redundancy from the early stages. Furthermore, our preliminary analyses suggest that attention layers in the early stages can be substituted with convolutions, and several attention heads in the latter stages are computationally redundant. To handle this, we introduce a single-head attention module that inherently prevents head redundancy and simultaneously boosts accuracy by parallelly combining global and local information. Building upon our solutions, we introduce SHViT, a Single-Head Vision Transformer that obtains the state-of-the-art speed-accuracy tradeoff. For example, on ImageNet-1k, our SHViT-S4 is 3.3x, 8.1x, and 2.4x faster than MobileViTv2 x1.0 on GPU, CPU, and iPhone12 mobile device, respectively, while being 1.3% more accurate. For object detection and instance segmentation on MS COCO using Mask-RCNN head, our model achieves performance comparable to FastViT-SA12 while exhibiting 3.8x and 2.0x lower backbone latency on GPU and mobile device, respectively.

  • 2 authors
·
Jan 29, 2024

Masked Audio Generation using a Single Non-Autoregressive Transformer

We introduce MAGNeT, a masked generative sequence modeling method that operates directly over several streams of audio tokens. Unlike prior work, MAGNeT is comprised of a single-stage, non-autoregressive transformer. During training, we predict spans of masked tokens obtained from a masking scheduler, while during inference we gradually construct the output sequence using several decoding steps. To further enhance the quality of the generated audio, we introduce a novel rescoring method in which, we leverage an external pre-trained model to rescore and rank predictions from MAGNeT, which will be then used for later decoding steps. Lastly, we explore a hybrid version of MAGNeT, in which we fuse between autoregressive and non-autoregressive models to generate the first few seconds in an autoregressive manner while the rest of the sequence is being decoded in parallel. We demonstrate the efficiency of MAGNeT for the task of text-to-music and text-to-audio generation and conduct an extensive empirical evaluation, considering both objective metrics and human studies. The proposed approach is comparable to the evaluated baselines, while being significantly faster (x7 faster than the autoregressive baseline). Through ablation studies and analysis, we shed light on the importance of each of the components comprising MAGNeT, together with pointing to the trade-offs between autoregressive and non-autoregressive modeling, considering latency, throughput, and generation quality. Samples are available on our demo page https://pages.cs.huji.ac.il/adiyoss-lab/MAGNeT.

  • 9 authors
·
Jan 9, 2024 14

Block Transformer: Global-to-Local Language Modeling for Fast Inference

This paper presents the Block Transformer architecture which adopts hierarchical global-to-local modeling to autoregressive transformers to mitigate the inference bottlenecks of self-attention. To apply self-attention, the key-value (KV) cache of all previous sequences must be retrieved from memory at every decoding step. Thereby, this KV cache IO becomes a significant bottleneck in batch inference. We notice that these costs stem from applying self-attention on the global context, therefore we isolate the expensive bottlenecks of global modeling to lower layers and apply fast local modeling in upper layers. To mitigate the remaining costs in the lower layers, we aggregate input tokens into fixed size blocks and then apply self-attention at this coarse level. Context information is aggregated into a single embedding to enable upper layers to decode the next block of tokens, without global attention. Free of global attention bottlenecks, the upper layers can fully utilize the compute hardware to maximize inference throughput. By leveraging global and local modules, the Block Transformer architecture demonstrates 10-20x gains in inference throughput compared to vanilla transformers with equivalent perplexity. Our work introduces a new approach to optimize language model inference through novel application of global-to-local modeling. Code is available at https://github.com/itsnamgyu/block-transformer.

  • 9 authors
·
Jun 4, 2024 1

Exploring Transformer Backbones for Heterogeneous Treatment Effect Estimation

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

  • 5 authors
·
Feb 2, 2022

AniMer+: Unified Pose and Shape Estimation Across Mammalia and Aves via Family-Aware Transformer

In the era of foundation models, achieving a unified understanding of different dynamic objects through a single network has the potential to empower stronger spatial intelligence. Moreover, accurate estimation of animal pose and shape across diverse species is essential for quantitative analysis in biological research. However, this topic remains underexplored due to the limited network capacity of previous methods and the scarcity of comprehensive multi-species datasets. To address these limitations, we introduce AniMer+, an extended version of our scalable AniMer framework. In this paper, we focus on a unified approach for reconstructing mammals (mammalia) and birds (aves). A key innovation of AniMer+ is its high-capacity, family-aware Vision Transformer (ViT) incorporating a Mixture-of-Experts (MoE) design. Its architecture partitions network layers into taxa-specific components (for mammalia and aves) and taxa-shared components, enabling efficient learning of both distinct and common anatomical features within a single model. To overcome the critical shortage of 3D training data, especially for birds, we introduce a diffusion-based conditional image generation pipeline. This pipeline produces two large-scale synthetic datasets: CtrlAni3D for quadrupeds and CtrlAVES3D for birds. To note, CtrlAVES3D is the first large-scale, 3D-annotated dataset for birds, which is crucial for resolving single-view depth ambiguities. Trained on an aggregated collection of 41.3k mammalian and 12.4k avian images (combining real and synthetic data), our method demonstrates superior performance over existing approaches across a wide range of benchmarks, including the challenging out-of-domain Animal Kingdom dataset. Ablation studies confirm the effectiveness of both our novel network architecture and the generated synthetic datasets in enhancing real-world application performance.

  • 6 authors
·
Jul 31

Data Distributional Properties Drive Emergent In-Context Learning in Transformers

Large transformer-based models are able to perform in-context few-shot learning, without being explicitly trained for it. This observation raises the question: what aspects of the training regime lead to this emergent behavior? Here, we show that this behavior is driven by the distributions of the training data itself. In-context learning emerges when the training data exhibits particular distributional properties such as burstiness (items appear in clusters rather than being uniformly distributed over time) and having large numbers of rarely occurring classes. In-context learning also emerges more strongly when item meanings or interpretations are dynamic rather than fixed. These properties are exemplified by natural language, but are also inherent to naturalistic data in a wide range of other domains. They also depart significantly from the uniform, i.i.d. training distributions typically used for standard supervised learning. In our initial experiments, we found that in-context learning traded off against more conventional weight-based learning, and models were unable to achieve both simultaneously. However, our later experiments uncovered that the two modes of learning could co-exist in a single model when it was trained on data following a skewed Zipfian distribution -- another common property of naturalistic data, including language. In further experiments, we found that naturalistic data distributions were only able to elicit in-context learning in transformers, and not in recurrent models. In sum, our findings indicate how the transformer architecture works together with particular properties of the training data to drive the intriguing emergent in-context learning behaviour of large language models, and how future work might encourage both in-context and in-weights learning in domains beyond language.

  • 8 authors
·
Apr 22, 2022

HyenaDNA: Long-Range Genomic Sequence Modeling at Single Nucleotide Resolution

Genomic (DNA) sequences encode an enormous amount of information for gene regulation and protein synthesis. Similar to natural language models, researchers have proposed foundation models in genomics to learn generalizable features from unlabeled genome data that can then be fine-tuned for downstream tasks such as identifying regulatory elements. Due to the quadratic scaling of attention, previous Transformer-based genomic models have used 512 to 4k tokens as context (<0.001% of the human genome), significantly limiting the modeling of long-range interactions in DNA. In addition, these methods rely on tokenizers to aggregate meaningful DNA units, losing single nucleotide resolution where subtle genetic variations can completely alter protein function via single nucleotide polymorphisms (SNPs). Recently, Hyena, a large language model based on implicit convolutions was shown to match attention in quality while allowing longer context lengths and lower time complexity. Leveraging Hyenas new long-range capabilities, we present HyenaDNA, a genomic foundation model pretrained on the human reference genome with context lengths of up to 1 million tokens at the single nucleotide-level, an up to 500x increase over previous dense attention-based models. HyenaDNA scales sub-quadratically in sequence length (training up to 160x faster than Transformer), uses single nucleotide tokens, and has full global context at each layer. We explore what longer context enables - including the first use of in-context learning in genomics for simple adaptation to novel tasks without updating pretrained model weights. On fine-tuned benchmarks from the Nucleotide Transformer, HyenaDNA reaches state-of-the-art (SotA) on 12 of 17 datasets using a model with orders of magnitude less parameters and pretraining data. On the GenomicBenchmarks, HyenaDNA surpasses SotA on all 8 datasets on average by +9 accuracy points.

  • 13 authors
·
Jun 27, 2023 2

SlimFit: Memory-Efficient Fine-Tuning of Transformer-based Models Using Training Dynamics

Transformer-based models, such as BERT and ViT, have achieved state-of-the-art results across different natural language processing (NLP) and computer vision (CV) tasks. However, these models are extremely memory intensive during their fine-tuning process, making them difficult to deploy on GPUs with limited memory resources. To address this issue, we introduce a new tool called SlimFit that reduces the memory requirements of these models by dynamically analyzing their training dynamics and freezing less-contributory layers during fine-tuning. The layers to freeze are chosen using a runtime inter-layer scheduling algorithm. SlimFit adopts quantization and pruning for particular layers to balance the load of dynamic activations and to minimize the memory footprint of static activations, where static activations refer to those that cannot be discarded regardless of freezing. This allows SlimFit to freeze up to 95% of layers and reduce the overall on-device GPU memory usage of transformer-based models such as ViT and BERT by an average of 2.2x, across different NLP and CV benchmarks/datasets such as GLUE, SQuAD 2.0, CIFAR-10, CIFAR-100 and ImageNet with an average degradation of 0.2% in accuracy. For such NLP and CV tasks, SlimFit can reduce up to 3.1x the total on-device memory usage with an accuracy degradation of only up to 0.4%. As a result, while fine-tuning of ViT on ImageNet and BERT on SQuAD 2.0 with a batch size of 128 requires 3 and 2 32GB GPUs respectively, SlimFit enables their fine-tuning on a single 32GB GPU without any significant accuracy degradation.

  • 7 authors
·
May 29, 2023

EfficientViT: Memory Efficient Vision Transformer with Cascaded Group Attention

Vision transformers have shown great success due to their high model capabilities. However, their remarkable performance is accompanied by heavy computation costs, which makes them unsuitable for real-time applications. In this paper, we propose a family of high-speed vision transformers named EfficientViT. We find that the speed of existing transformer models is commonly bounded by memory inefficient operations, especially the tensor reshaping and element-wise functions in MHSA. Therefore, we design a new building block with a sandwich layout, i.e., using a single memory-bound MHSA between efficient FFN layers, which improves memory efficiency while enhancing channel communication. Moreover, we discover that the attention maps share high similarities across heads, leading to computational redundancy. To address this, we present a cascaded group attention module feeding attention heads with different splits of the full feature, which not only saves computation cost but also improves attention diversity. Comprehensive experiments demonstrate EfficientViT outperforms existing efficient models, striking a good trade-off between speed and accuracy. For instance, our EfficientViT-M5 surpasses MobileNetV3-Large by 1.9% in accuracy, while getting 40.4% and 45.2% higher throughput on Nvidia V100 GPU and Intel Xeon CPU, respectively. Compared to the recent efficient model MobileViT-XXS, EfficientViT-M2 achieves 1.8% superior accuracy, while running 5.8x/3.7x faster on the GPU/CPU, and 7.4x faster when converted to ONNX format. Code and models are available at https://github.com/microsoft/Cream/tree/main/EfficientViT.

  • 6 authors
·
May 11, 2023 1

Edge-MoE: Memory-Efficient Multi-Task Vision Transformer Architecture with Task-level Sparsity via Mixture-of-Experts

Computer vision researchers are embracing two promising paradigms: Vision Transformers (ViTs) and Multi-task Learning (MTL), which both show great performance but are computation-intensive, given the quadratic complexity of self-attention in ViT and the need to activate an entire large MTL model for one task. M^3ViT is the latest multi-task ViT model that introduces mixture-of-experts (MoE), where only a small portion of subnetworks ("experts") are sparsely and dynamically activated based on the current task. M^3ViT achieves better accuracy and over 80% computation reduction but leaves challenges for efficient deployment on FPGA. Our work, dubbed Edge-MoE, solves the challenges to introduce the first end-to-end FPGA accelerator for multi-task ViT with a collection of architectural innovations, including (1) a novel reordering mechanism for self-attention, which requires only constant bandwidth regardless of the target parallelism; (2) a fast single-pass softmax approximation; (3) an accurate and low-cost GELU approximation; (4) a unified and flexible computing unit that is shared by almost all computational layers to maximally reduce resource usage; and (5) uniquely for M^3ViT, a novel patch reordering method to eliminate memory access overhead. Edge-MoE achieves 2.24x and 4.90x better energy efficiency comparing with GPU and CPU, respectively. A real-time video demonstration is available online, along with our open-source code written using High-Level Synthesis.

  • 5 authors
·
May 29, 2023

Bridging Vision and Language Spaces with Assignment Prediction

This paper introduces VLAP, a novel approach that bridges pretrained vision models and large language models (LLMs) to make frozen LLMs understand the visual world. VLAP transforms the embedding space of pretrained vision models into the LLMs' word embedding space using a single linear layer for efficient and general-purpose visual and language understanding. Specifically, we harness well-established word embeddings to bridge two modality embedding spaces. The visual and text representations are simultaneously assigned to a set of word embeddings within pretrained LLMs by formulating the assigning procedure as an optimal transport problem. We predict the assignment of one modality from the representation of another modality data, enforcing consistent assignments for paired multimodal data. This allows vision and language representations to contain the same information, grounding the frozen LLMs' word embedding space in visual data. Moreover, a robust semantic taxonomy of LLMs can be preserved with visual data since the LLMs interpret and reason linguistic information from correlations between word embeddings. Experimental results show that VLAP achieves substantial improvements over the previous linear transformation-based approaches across a range of vision-language tasks, including image captioning, visual question answering, and cross-modal retrieval. We also demonstrate the learned visual representations hold a semantic taxonomy of LLMs, making visual semantic arithmetic possible.

  • 3 authors
·
Apr 15, 2024