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Mar 11

GraphCLIP: Enhancing Transferability in Graph Foundation Models for Text-Attributed Graphs

Recently, research on Text-Attributed Graphs (TAGs) has gained significant attention due to the prevalence of free-text node features in real-world applications and the advancements in Large Language Models (LLMs) that bolster TAG methodologies. However, current TAG approaches face two primary challenges: (i) Heavy reliance on label information and (ii) Limited cross-domain zero/few-shot transferability. These issues constrain the scaling of both data and model size, owing to high labor costs and scaling laws, complicating the development of graph foundation models with strong transferability. In this work, we propose the GraphCLIP framework to address these challenges by learning graph foundation models with strong cross-domain zero/few-shot transferability through a self-supervised contrastive graph-summary pretraining method. Specifically, we generate and curate large-scale graph-summary pair data with the assistance of LLMs, and introduce a novel graph-summary pretraining method, combined with invariant learning, to enhance graph foundation models with strong cross-domain zero-shot transferability. For few-shot learning, we propose a novel graph prompt tuning technique aligned with our pretraining objective to mitigate catastrophic forgetting and minimize learning costs. Extensive experiments show the superiority of GraphCLIP in both zero-shot and few-shot settings, while evaluations across various downstream tasks confirm the versatility of GraphCLIP. Our code is available at: https://github.com/ZhuYun97/GraphCLIP

Unsupervised Learning under Latent Label Shift

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.

Harnessing Explanations: LLM-to-LM Interpreter for Enhanced Text-Attributed Graph Representation Learning

Representation learning on text-attributed graphs (TAGs) has become a critical research problem in recent years. A typical example of a TAG is a paper citation graph, where the text of each paper serves as node attributes. Initial graph neural network (GNN) pipelines handled these text attributes by transforming them into shallow or hand-crafted features, such as skip-gram or bag-of-words features. Recent efforts have focused on enhancing these pipelines with language models (LMs), which typically demand intricate designs and substantial computational resources. With the advent of powerful large language models (LLMs) such as GPT or Llama2, which demonstrate an ability to reason and to utilize general knowledge, there is a growing need for techniques which combine the textual modelling abilities of LLMs with the structural learning capabilities of GNNs. Hence, in this work, we focus on leveraging LLMs to capture textual information as features, which can be used to boost GNN performance on downstream tasks. A key innovation is our use of explanations as features: we prompt an LLM to perform zero-shot classification, request textual explanations for its decision-making process, and design an LLM-to-LM interpreter to translate these explanations into informative features for downstream GNNs. Our experiments demonstrate that our method achieves state-of-the-art results on well-established TAG datasets, including Cora, PubMed, ogbn-arxiv, as well as our newly introduced dataset, tape-arxiv23. Furthermore, our method significantly speeds up training, achieving a 2.88 times improvement over the closest baseline on ogbn-arxiv. Lastly, we believe the versatility of the proposed method extends beyond TAGs and holds the potential to enhance other tasks involving graph-text data. Our codes and datasets are available at: https://github.com/XiaoxinHe/TAPE.

Does your data spark joy? Performance gains from domain upsampling at the end of training

Pretraining datasets for large language models (LLMs) have grown to trillions of tokens composed of large amounts of CommonCrawl (CC) web scrape along with smaller, domain-specific datasets. It is expensive to understand the impact of these domain-specific datasets on model capabilities as training at large FLOP scales is required to reveal significant changes to difficult and emergent benchmarks. Given the increasing cost of experimenting with pretraining data, how does one determine the optimal balance between the diversity in general web scrapes and the information density of domain specific data? In this work, we show how to leverage the smaller domain specific datasets by upsampling them relative to CC at the end of training to drive performance improvements on difficult benchmarks. This simple technique allows us to improve up to 6.90 pp on MMLU, 8.26 pp on GSM8K, and 6.17 pp on HumanEval relative to the base data mix for a 7B model trained for 1 trillion (T) tokens, thus rivaling Llama-2 (7B)x2014a model trained for twice as long. We experiment with ablating the duration of domain upsampling from 5% to 30% of training and find that 10% to 20% percent is optimal for navigating the tradeoff between general language modeling capabilities and targeted benchmarks. We also use domain upsampling to characterize at scale the utility of individual datasets for improving various benchmarks by removing them during this final phase of training. This tool opens up the ability to experiment with the impact of different pretraining datasets at scale, but at an order of magnitude lower cost compared to full pretraining runs.

Rethinking Supervised Pre-training for Better Downstream Transferring

The pretrain-finetune paradigm has shown outstanding performance on many applications of deep learning, where a model is pre-trained on a upstream large dataset (e.g. ImageNet), and is then fine-tuned to different downstream tasks. Though for most cases, the pre-training stage is conducted based on supervised methods, recent works on self-supervised pre-training have shown powerful transferability and even outperform supervised pre-training on multiple downstream tasks. It thus remains an open question how to better generalize supervised pre-training model to downstream tasks. In this paper, we argue that the worse transferability of existing supervised pre-training methods arise from the negligence of valuable intra-class semantic difference. This is because these methods tend to push images from the same class close to each other despite of the large diversity in their visual contents, a problem to which referred as "overfit of upstream tasks". To alleviate this problem, we propose a new supervised pre-training method based on Leave-One-Out K-Nearest-Neighbor, or LOOK for short. It relieves the problem of overfitting upstream tasks by only requiring each image to share its class label with most of its k nearest neighbors, thus allowing each class to exhibit a multi-mode distribution and consequentially preserving part of intra-class difference for better transferring to downstream tasks. We developed efficient implementation of the proposed method that scales well to large datasets. Experimental studies on multiple downstream tasks show that LOOK outperforms other state-of-the-art methods for supervised and self-supervised pre-training.

When to Pre-Train Graph Neural Networks? From Data Generation Perspective!

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

Gradient-Regulated Meta-Prompt Learning for Generalizable Vision-Language Models

Prompt tuning, a recently emerging paradigm, enables the powerful vision-language pre-training models to adapt to downstream tasks in a parameter -- and data -- efficient way, by learning the ``soft prompts'' to condition frozen pre-training models. Though effective, it is particularly problematic in the few-shot scenario, where prompt tuning performance is sensitive to the initialization and requires a time-consuming process to find a good initialization, thus restricting the fast adaptation ability of the pre-training models. In addition, prompt tuning could undermine the generalizability of the pre-training models, because the learnable prompt tokens are easy to overfit to the limited training samples. To address these issues, we introduce a novel Gradient-RegulAted Meta-prompt learning (GRAM) framework that jointly meta-learns an efficient soft prompt initialization for better adaptation and a lightweight gradient regulating function for strong cross-domain generalizability in a meta-learning paradigm using only the unlabeled image-text pre-training data. Rather than designing a specific prompt tuning method, our GRAM can be easily incorporated into various prompt tuning methods in a model-agnostic way, and comprehensive experiments show that GRAM brings about consistent improvement for them in several settings (i.e., few-shot learning, cross-domain generalization, cross-dataset generalization, etc.) over 11 datasets. Further, experiments show that GRAM enables the orthogonal methods of textual and visual prompt tuning to work in a mutually-enhanced way, offering better generalizability beyond the uni-modal prompt tuning methods.

SLCA: Slow Learner with Classifier Alignment for Continual Learning on a Pre-trained Model

The goal of continual learning is to improve the performance of recognition models in learning sequentially arrived data. Although most existing works are established on the premise of learning from scratch, growing efforts have been devoted to incorporating the benefits of pre-training. However, how to adaptively exploit the pre-trained knowledge for each incremental task while maintaining its generalizability remains an open question. In this work, we present an extensive analysis for continual learning on a pre-trained model (CLPM), and attribute the key challenge to a progressive overfitting problem. Observing that selectively reducing the learning rate can almost resolve this issue in the representation layer, we propose a simple but extremely effective approach named Slow Learner with Classifier Alignment (SLCA), which further improves the classification layer by modeling the class-wise distributions and aligning the classification layers in a post-hoc fashion. Across a variety of scenarios, our proposal provides substantial improvements for CLPM (e.g., up to 49.76%, 50.05%, 44.69% and 40.16% on Split CIFAR-100, Split ImageNet-R, Split CUB-200 and Split Cars-196, respectively), and thus outperforms state-of-the-art approaches by a large margin. Based on such a strong baseline, critical factors and promising directions are analyzed in-depth to facilitate subsequent research. Code has been made available at: https://github.com/GengDavid/SLCA.

Words are all you need? Language as an approximation for human similarity judgments

Human similarity judgments are a powerful supervision signal for machine learning applications based on techniques such as contrastive learning, information retrieval, and model alignment, but classical methods for collecting human similarity judgments are too expensive to be used at scale. Recent methods propose using pre-trained deep neural networks (DNNs) to approximate human similarity, but pre-trained DNNs may not be available for certain domains (e.g., medical images, low-resource languages) and their performance in approximating human similarity has not been extensively tested. We conducted an evaluation of 611 pre-trained models across three domains -- images, audio, video -- and found that there is a large gap in performance between human similarity judgments and pre-trained DNNs. To address this gap, we propose a new class of similarity approximation methods based on language. To collect the language data required by these new methods, we also developed and validated a novel adaptive tag collection pipeline. We find that our proposed language-based methods are significantly cheaper, in the number of human judgments, than classical methods, but still improve performance over the DNN-based methods. Finally, we also develop `stacked' methods that combine language embeddings with DNN embeddings, and find that these consistently provide the best approximations for human similarity across all three of our modalities. Based on the results of this comprehensive study, we provide a concise guide for researchers interested in collecting or approximating human similarity data. To accompany this guide, we also release all of the similarity and language data, a total of 206,339 human judgments, that we collected in our experiments, along with a detailed breakdown of all modeling results.

Understanding In-Context Learning in Transformers and LLMs by Learning to Learn Discrete Functions

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.

When Does Pretraining Help? Assessing Self-Supervised Learning for Law and the CaseHOLD Dataset

While self-supervised learning has made rapid advances in natural language processing, it remains unclear when researchers should engage in resource-intensive domain-specific pretraining (domain pretraining). The law, puzzlingly, has yielded few documented instances of substantial gains to domain pretraining in spite of the fact that legal language is widely seen to be unique. We hypothesize that these existing results stem from the fact that existing legal NLP tasks are too easy and fail to meet conditions for when domain pretraining can help. To address this, we first present CaseHOLD (Case Holdings On Legal Decisions), a new dataset comprised of over 53,000+ multiple choice questions to identify the relevant holding of a cited case. This dataset presents a fundamental task to lawyers and is both legally meaningful and difficult from an NLP perspective (F1 of 0.4 with a BiLSTM baseline). Second, we assess performance gains on CaseHOLD and existing legal NLP datasets. While a Transformer architecture (BERT) pretrained on a general corpus (Google Books and Wikipedia) improves performance, domain pretraining (using corpus of approximately 3.5M decisions across all courts in the U.S. that is larger than BERT's) with a custom legal vocabulary exhibits the most substantial performance gains with CaseHOLD (gain of 7.2% on F1, representing a 12% improvement on BERT) and consistent performance gains across two other legal tasks. Third, we show that domain pretraining may be warranted when the task exhibits sufficient similarity to the pretraining corpus: the level of performance increase in three legal tasks was directly tied to the domain specificity of the task. Our findings inform when researchers should engage resource-intensive pretraining and show that Transformer-based architectures, too, learn embeddings suggestive of distinct legal language.

Do Input Gradients Highlight Discriminative Features?

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients -- gradients of logits with respect to input -- noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach. First, we develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A). Second, we introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A). Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.

UL2: Unifying Language Learning Paradigms

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

PLIP: Language-Image Pre-training for Person Representation Learning

Language-image pre-training is an effective technique for learning powerful representations in general domains. However, when directly turning to person representation learning, these general pre-training methods suffer from unsatisfactory performance. The reason is that they neglect critical person-related characteristics, i.e., fine-grained attributes and identities. To address this issue, we propose a novel language-image pre-training framework for person representation learning, termed PLIP. Specifically, we elaborately design three pretext tasks: 1) Text-guided Image Colorization, aims to establish the correspondence between the person-related image regions and the fine-grained color-part textual phrases. 2) Image-guided Attributes Prediction, aims to mine fine-grained attribute information of the person body in the image; and 3) Identity-based Vision-Language Contrast, aims to correlate the cross-modal representations at the identity level rather than the instance level. Moreover, to implement our pre-train framework, we construct a large-scale person dataset with image-text pairs named SYNTH-PEDES by automatically generating textual annotations. We pre-train PLIP on SYNTH-PEDES and evaluate our models by spanning downstream person-centric tasks. PLIP not only significantly improves existing methods on all these tasks, but also shows great ability in the zero-shot and domain generalization settings. The code, dataset and weights will be released at~https://github.com/Zplusdragon/PLIP

Programming Every Example: Lifting Pre-training Data Quality like Experts at Scale

Large language model pre-training has traditionally relied on human experts to craft heuristics for improving the corpora quality, resulting in numerous rules developed to date. However, these rules lack the flexibility to address the unique characteristics of individual example effectively. Meanwhile, applying tailored rules to every example is impractical for human experts. In this paper, we demonstrate that even small language models, with as few as 0.3B parameters, can exhibit substantial data refining capabilities comparable to those of human experts. We introduce Programming Every Example (ProX), a novel framework that treats data refinement as a programming task, enabling models to refine corpora by generating and executing fine-grained operations, such as string normalization, for each individual example at scale. Experimental results show that models pre-trained on ProX-curated data outperform either original data or data filtered by other selection methods by more than 2% across various downstream benchmarks. Its effectiveness spans various model sizes and pre-training corpora, including C4, RedPajama-V2, and FineWeb. Furthermore, ProX exhibits significant potential in domain-specific continual pre-training: without domain specific design, models trained on OpenWebMath refined by ProX outperform human-crafted rule-based methods, improving average accuracy by 7.6% over Mistral-7B, with 14.6% for Llama-2-7B and 20.3% for CodeLlama-7B, all within 10B tokens to be comparable to models like Llemma-7B trained on 200B tokens. Further analysis highlights that ProX significantly saves training FLOPs, offering a promising path for efficient LLM pre-training.We are open-sourcing ProX with >100B corpus, models, and sharing all training and implementation details for reproducible research and future innovation. Code: https://github.com/GAIR-NLP/ProX

List Items One by One: A New Data Source and Learning Paradigm for Multimodal LLMs

Set-of-Mark (SoM) Prompting unleashes the visual grounding capability of GPT-4V, by enabling the model to associate visual objects with tags inserted on the image. These tags, marked with alphanumerics, can be indexed via text tokens for easy reference. Despite the extraordinary performance from GPT-4V, we observe that other Multimodal Large Language Models (MLLMs) struggle to understand these visual tags. To promote the learning of SoM prompting for open-source models, we propose a new learning paradigm: "list items one by one," which asks the model to enumerate and describe all visual tags placed on the image following the alphanumeric orders of tags. By integrating our curated dataset with other visual instruction tuning datasets, we are able to equip existing MLLMs with the SoM prompting ability. Furthermore, we evaluate our finetuned SoM models on five MLLM benchmarks. We find that this new dataset, even in a relatively small size (10k-30k images with tags), significantly enhances visual reasoning capabilities and reduces hallucinations for MLLMs. Perhaps surprisingly, these improvements persist even when the visual tags are omitted from input images during inference. This suggests the potential of "list items one by one" as a new paradigm for training MLLMs, which strengthens the object-text alignment through the use of visual tags in the training stage. Finally, we conduct analyses by probing trained models to understand the working mechanism of SoM. Our code and data are available at https://github.com/zzxslp/SoM-LLaVA.

Negative Token Merging: Image-based Adversarial Feature Guidance

Text-based adversarial guidance using a negative prompt has emerged as a widely adopted approach to push the output features away from undesired concepts. While useful, performing adversarial guidance using text alone can be insufficient to capture complex visual concepts and avoid undesired visual elements like copyrighted characters. In this paper, for the first time we explore an alternate modality in this direction by performing adversarial guidance directly using visual features from a reference image or other images in a batch. In particular, we introduce negative token merging (NegToMe), a simple but effective training-free approach which performs adversarial guidance by selectively pushing apart matching semantic features (between reference and output generation) during the reverse diffusion process. When used w.r.t. other images in the same batch, we observe that NegToMe significantly increases output diversity (racial, gender, visual) without sacrificing output image quality. Similarly, when used w.r.t. a reference copyrighted asset, NegToMe helps reduce visual similarity with copyrighted content by 34.57%. NegToMe is simple to implement using just few-lines of code, uses only marginally higher (<4%) inference times and generalizes to different diffusion architectures like Flux, which do not natively support the use of a separate negative prompt. Code is available at https://negtome.github.io

GAugLLM: Improving Graph Contrastive Learning for Text-Attributed Graphs with Large Language Models

This work studies self-supervised graph learning for text-attributed graphs (TAGs) where nodes are represented by textual attributes. Unlike traditional graph contrastive methods that perturb the numerical feature space and alter the graph's topological structure, we aim to improve view generation through language supervision. This is driven by the prevalence of textual attributes in real applications, which complement graph structures with rich semantic information. However, this presents challenges because of two major reasons. First, text attributes often vary in length and quality, making it difficulty to perturb raw text descriptions without altering their original semantic meanings. Second, although text attributes complement graph structures, they are not inherently well-aligned. To bridge the gap, we introduce GAugLLM, a novel framework for augmenting TAGs. It leverages advanced large language models like Mistral to enhance self-supervised graph learning. Specifically, we introduce a mixture-of-prompt-expert technique to generate augmented node features. This approach adaptively maps multiple prompt experts, each of which modifies raw text attributes using prompt engineering, into numerical feature space. Additionally, we devise a collaborative edge modifier to leverage structural and textual commonalities, enhancing edge augmentation by examining or building connections between nodes. Empirical results across five benchmark datasets spanning various domains underscore our framework's ability to enhance the performance of leading contrastive methods as a plug-in tool. Notably, we observe that the augmented features and graph structure can also enhance the performance of standard generative methods, as well as popular graph neural networks. The open-sourced implementation of our GAugLLM is available at Github.

ArtGPT-4: Artistic Vision-Language Understanding with Adapter-enhanced MiniGPT-4

In recent years, large language models (LLMs) have made significant progress in natural language processing (NLP), with models like ChatGPT and GPT-4 achieving impressive capabilities in various linguistic tasks. However, training models on such a large scale is challenging, and finding datasets that match the model's scale is often difficult. Fine-tuning and training models with fewer parameters using novel methods have emerged as promising approaches to overcome these challenges. One such model is MiniGPT-4, which achieves comparable vision-language understanding to GPT-4 by leveraging novel pre-training models and innovative training strategies. However, the model still faces some challenges in image understanding, particularly in artistic pictures. A novel multimodal model called ArtGPT-4 has been proposed to address these limitations. ArtGPT-4 was trained on image-text pairs using a Tesla A100 device in just 2 hours, using only about 200 GB of data. The model can depict images with an artistic flair and generate visual code, including aesthetically pleasing HTML/CSS web pages. Furthermore, the article proposes novel benchmarks for evaluating the performance of vision-language models. In the subsequent evaluation methods, ArtGPT-4 scored more than 1 point higher than the current state-of-the-art model and was only 0.25 points lower than artists on a 6-point scale. Our code and pre-trained model are available at https://huggingface.co/Tyrannosaurus/ArtGPT-4.

Discriminative Class Tokens for Text-to-Image Diffusion Models

Recent advances in text-to-image diffusion models have enabled the generation of diverse and high-quality images. However, generated images often fall short of depicting subtle details and are susceptible to errors due to ambiguity in the input text. One way of alleviating these issues is to train diffusion models on class-labeled datasets. This comes with a downside, doing so limits their expressive power: (i) supervised datasets are generally small compared to large-scale scraped text-image datasets on which text-to-image models are trained, and so the quality and diversity of generated images are severely affected, or (ii) the input is a hard-coded label, as opposed to free-form text, which limits the control over the generated images. In this work, we propose a non-invasive fine-tuning technique that capitalizes on the expressive potential of free-form text while achieving high accuracy through discriminative signals from a pretrained classifier, which guides the generation. This is done by iteratively modifying the embedding of a single input token of a text-to-image diffusion model, using the classifier, by steering generated images toward a given target class. Our method is fast compared to prior fine-tuning methods and does not require a collection of in-class images or retraining of a noise-tolerant classifier. We evaluate our method extensively, showing that the generated images are: (i) more accurate and of higher quality than standard diffusion models, (ii) can be used to augment training data in a low-resource setting, and (iii) reveal information about the data used to train the guiding classifier. The code is available at https://github.com/idansc/discriminative_class_tokens

Foundation Models for Natural Language Processing -- Pre-trained Language Models Integrating Media

This open access book provides a comprehensive overview of the state of the art in research and applications of Foundation Models and is intended for readers familiar with basic Natural Language Processing (NLP) concepts. Over the recent years, a revolutionary new paradigm has been developed for training models for NLP. These models are first pre-trained on large collections of text documents to acquire general syntactic knowledge and semantic information. Then, they are fine-tuned for specific tasks, which they can often solve with superhuman accuracy. When the models are large enough, they can be instructed by prompts to solve new tasks without any fine-tuning. Moreover, they can be applied to a wide range of different media and problem domains, ranging from image and video processing to robot control learning. Because they provide a blueprint for solving many tasks in artificial intelligence, they have been called Foundation Models. After a brief introduction to basic NLP models the main pre-trained language models BERT, GPT and sequence-to-sequence transformer are described, as well as the concepts of self-attention and context-sensitive embedding. Then, different approaches to improving these models are discussed, such as expanding the pre-training criteria, increasing the length of input texts, or including extra knowledge. An overview of the best-performing models for about twenty application areas is then presented, e.g., question answering, translation, story generation, dialog systems, generating images from text, etc. For each application area, the strengths and weaknesses of current models are discussed, and an outlook on further developments is given. In addition, links are provided to freely available program code. A concluding chapter summarizes the economic opportunities, mitigation of risks, and potential developments of AI.

Domain-Specific Language Model Pretraining for Biomedical Natural Language Processing

Pretraining large neural language models, such as BERT, has led to impressive gains on many natural language processing (NLP) tasks. However, most pretraining efforts focus on general domain corpora, such as newswire and Web. A prevailing assumption is that even domain-specific pretraining can benefit by starting from general-domain language models. In this paper, we challenge this assumption by showing that for domains with abundant unlabeled text, such as biomedicine, pretraining language models from scratch results in substantial gains over continual pretraining of general-domain language models. To facilitate this investigation, we compile a comprehensive biomedical NLP benchmark from publicly-available datasets. Our experiments show that domain-specific pretraining serves as a solid foundation for a wide range of biomedical NLP tasks, leading to new state-of-the-art results across the board. Further, in conducting a thorough evaluation of modeling choices, both for pretraining and task-specific fine-tuning, we discover that some common practices are unnecessary with BERT models, such as using complex tagging schemes in named entity recognition (NER). To help accelerate research in biomedical NLP, we have released our state-of-the-art pretrained and task-specific models for the community, and created a leaderboard featuring our BLURB benchmark (short for Biomedical Language Understanding & Reasoning Benchmark) at https://aka.ms/BLURB.

Predictive Data Selection: The Data That Predicts Is the Data That Teaches

Language model pretraining involves training on extensive corpora, where data quality plays a pivotal role. In this work, we aim to directly estimate the contribution of data during pretraining and select pretraining data in an efficient manner. Specifically, we draw inspiration from recent findings showing that compression efficiency (i.e., the normalized loss) of diverse models on certain text correlates strongly with their downstream performance, when the text domain aligns with the downstream benchmark (Huang et al., 2024). Building on this observation, we hypothesize that data on which model losses are predictive of downstream abilities also contribute effectively to learning. To leverage this insight, we introduce data selection based on data's Predictive strength (Preselect), a lightweight and efficient data selection method that requires training and deploying only a fastText-based scorer. Through comprehensive experiments with 1B and 3B parameter models, we demonstrate that models trained on 30B tokens selected with PreSelect surpasses the performance of a vanilla baseline trained on 300B tokens, achieving a 10x reduction in compute requirements. Furthermore, PreSelect significantly outperforms other competitive data selection baselines, such as DCLM and FineWeb-Edu on a scale of 3B models trained on 100B tokens. We open-source our trained data selection scorer along with the curated datasets at https://github.com/hkust-nlp/PreSelect.

Recommendation as Language Processing (RLP): A Unified Pretrain, Personalized Prompt & Predict Paradigm (P5)

For a long time, different recommendation tasks typically require designing task-specific architectures and training objectives. As a result, it is hard to transfer the learned knowledge and representations from one task to another, thus restricting the generalization ability of existing recommendation approaches, e.g., a sequential recommendation model can hardly be applied or transferred to a review generation method. To deal with such issues, considering that language can describe almost anything and language grounding is a powerful medium to represent various problems or tasks, we present a flexible and unified text-to-text paradigm called "Pretrain, Personalized Prompt, and Predict Paradigm" (P5) for recommendation, which unifies various recommendation tasks in a shared framework. In P5, all data such as user-item interactions, user descriptions, item metadata, and user reviews are converted to a common format -- natural language sequences. The rich information from natural language assists P5 to capture deeper semantics for personalization and recommendation. Specifically, P5 learns different tasks with the same language modeling objective during pretraining. Thus, it serves as the foundation model for various downstream recommendation tasks, allows easy integration with other modalities, and enables instruction-based recommendation based on prompts. P5 advances recommender systems from shallow model to deep model to big model, and will revolutionize the technical form of recommender systems towards universal recommendation engine. With adaptive personalized prompt for different users, P5 is able to make predictions in a zero-shot or few-shot manner and largely reduces the necessity for extensive fine-tuning. On several recommendation benchmarks, we conduct experiments to show the effectiveness of P5. We release the source code at https://github.com/jeykigung/P5.

Demystifying CLIP Data

Contrastive Language-Image Pre-training (CLIP) is an approach that has advanced research and applications in computer vision, fueling modern recognition systems and generative models. We believe that the main ingredient to the success of CLIP is its data and not the model architecture or pre-training objective. However, CLIP only provides very limited information about its data and how it has been collected, leading to works that aim to reproduce CLIP's data by filtering with its model parameters. In this work, we intend to reveal CLIP's data curation approach and in our pursuit of making it open to the community introduce Metadata-Curated Language-Image Pre-training (MetaCLIP). MetaCLIP takes a raw data pool and metadata (derived from CLIP's concepts) and yields a balanced subset over the metadata distribution. Our experimental study rigorously isolates the model and training settings, concentrating solely on data. MetaCLIP applied to CommonCrawl with 400M image-text data pairs outperforms CLIP's data on multiple standard benchmarks. In zero-shot ImageNet classification, MetaCLIP achieves 70.8% accuracy, surpassing CLIP's 68.3% on ViT-B models. Scaling to 1B data, while maintaining the same training budget, attains 72.4%. Our observations hold across various model sizes, exemplified by ViT-H achieving 80.5%, without any bells-and-whistles. Curation code and training data distribution on metadata is made available at https://github.com/facebookresearch/MetaCLIP.

A Unified Continual Learning Framework with General Parameter-Efficient Tuning

The "pre-training rightarrow downstream adaptation" presents both new opportunities and challenges for Continual Learning (CL). Although the recent state-of-the-art in CL is achieved through Parameter-Efficient-Tuning (PET) adaptation paradigm, only prompt has been explored, limiting its application to Transformers only. In this paper, we position prompting as one instantiation of PET, and propose a unified CL framework with general PET, dubbed as Learning-Accumulation-Ensemble (LAE). PET, e.g., using Adapter, LoRA, or Prefix, can adapt a pre-trained model to downstream tasks with fewer parameters and resources. Given a PET method, our LAE framework incorporates it for CL with three novel designs. 1) Learning: the pre-trained model adapts to the new task by tuning an online PET module, along with our adaptation speed calibration to align different PET modules, 2) Accumulation: the task-specific knowledge learned by the online PET module is accumulated into an offline PET module through momentum update, 3) Ensemble: During inference, we respectively construct two experts with online/offline PET modules (which are favored by the novel/historical tasks) for prediction ensemble. We show that LAE is compatible with a battery of PET methods and gains strong CL capability. For example, LAE with Adaptor PET surpasses the prior state-of-the-art by 1.3% and 3.6% in last-incremental accuracy on CIFAR100 and ImageNet-R datasets, respectively. Code is available at https://github.com/gqk/LAE.

Practical Galaxy Morphology Tools from Deep Supervised Representation Learning

Astronomers have typically set out to solve supervised machine learning problems by creating their own representations from scratch. We show that deep learning models trained to answer every Galaxy Zoo DECaLS question learn meaningful semantic representations of galaxies that are useful for new tasks on which the models were never trained. We exploit these representations to outperform several recent approaches at practical tasks crucial for investigating large galaxy samples. The first task is identifying galaxies of similar morphology to a query galaxy. Given a single galaxy assigned a free text tag by humans (e.g. "#diffuse"), we can find galaxies matching that tag for most tags. The second task is identifying the most interesting anomalies to a particular researcher. Our approach is 100% accurate at identifying the most interesting 100 anomalies (as judged by Galaxy Zoo 2 volunteers). The third task is adapting a model to solve a new task using only a small number of newly-labelled galaxies. Models fine-tuned from our representation are better able to identify ring galaxies than models fine-tuned from terrestrial images (ImageNet) or trained from scratch. We solve each task with very few new labels; either one (for the similarity search) or several hundred (for anomaly detection or fine-tuning). This challenges the longstanding view that deep supervised methods require new large labelled datasets for practical use in astronomy. To help the community benefit from our pretrained models, we release our fine-tuning code Zoobot. Zoobot is accessible to researchers with no prior experience in deep learning.

Detecting Pretraining Data from Large Language Models

Although large language models (LLMs) are widely deployed, the data used to train them is rarely disclosed. Given the incredible scale of this data, up to trillions of tokens, it is all but certain that it includes potentially problematic text such as copyrighted materials, personally identifiable information, and test data for widely reported reference benchmarks. However, we currently have no way to know which data of these types is included or in what proportions. In this paper, we study the pretraining data detection problem: given a piece of text and black-box access to an LLM without knowing the pretraining data, can we determine if the model was trained on the provided text? To facilitate this study, we introduce a dynamic benchmark WIKIMIA that uses data created before and after model training to support gold truth detection. We also introduce a new detection method Min-K% Prob based on a simple hypothesis: an unseen example is likely to contain a few outlier words with low probabilities under the LLM, while a seen example is less likely to have words with such low probabilities. Min-K% Prob can be applied without any knowledge about the pretraining corpus or any additional training, departing from previous detection methods that require training a reference model on data that is similar to the pretraining data. Moreover, our experiments demonstrate that Min-K% Prob achieves a 7.4% improvement on WIKIMIA over these previous methods. We apply Min-K% Prob to two real-world scenarios, copyrighted book detection, and contaminated downstream example detection, and find it a consistently effective solution.

A Parse-Then-Place Approach for Generating Graphic Layouts from Textual Descriptions

Creating layouts is a fundamental step in graphic design. In this work, we propose to use text as the guidance to create graphic layouts, i.e., Text-to-Layout, aiming to lower the design barriers. Text-to-Layout is a challenging task, because it needs to consider the implicit, combined, and incomplete layout constraints from text, each of which has not been studied in previous work. To address this, we present a two-stage approach, named parse-then-place. The approach introduces an intermediate representation (IR) between text and layout to represent diverse layout constraints. With IR, Text-to-Layout is decomposed into a parse stage and a place stage. The parse stage takes a textual description as input and generates an IR, in which the implicit constraints from the text are transformed into explicit ones. The place stage generates layouts based on the IR. To model combined and incomplete constraints, we use a Transformer-based layout generation model and carefully design a way to represent constraints and layouts as sequences. Besides, we adopt the pretrain-then-finetune strategy to boost the performance of the layout generation model with large-scale unlabeled layouts. To evaluate our approach, we construct two Text-to-Layout datasets and conduct experiments on them. Quantitative results, qualitative analysis, and user studies demonstrate the effectiveness of our approach.

It Takes Two to Tango: Mixup for Deep Metric Learning

Metric learning involves learning a discriminative representation such that embeddings of similar classes are encouraged to be close, while embeddings of dissimilar classes are pushed far apart. State-of-the-art methods focus mostly on sophisticated loss functions or mining strategies. On the one hand, metric learning losses consider two or more examples at a time. On the other hand, modern data augmentation methods for classification consider two or more examples at a time. The combination of the two ideas is under-studied. In this work, we aim to bridge this gap and improve representations using mixup, which is a powerful data augmentation approach interpolating two or more examples and corresponding target labels at a time. This task is challenging because unlike classification, the loss functions used in metric learning are not additive over examples, so the idea of interpolating target labels is not straightforward. To the best of our knowledge, we are the first to investigate mixing both examples and target labels for deep metric learning. We develop a generalized formulation that encompasses existing metric learning loss functions and modify it to accommodate for mixup, introducing Metric Mix, or Metrix. We also introduce a new metric - utilization, to demonstrate that by mixing examples during training, we are exploring areas of the embedding space beyond the training classes, thereby improving representations. To validate the effect of improved representations, we show that mixing inputs, intermediate representations or embeddings along with target labels significantly outperforms state-of-the-art metric learning methods on four benchmark deep metric learning datasets.

LaSO: Label-Set Operations networks for multi-label few-shot learning

Example synthesis is one of the leading methods to tackle the problem of few-shot learning, where only a small number of samples per class are available. However, current synthesis approaches only address the scenario of a single category label per image. In this work, we propose a novel technique for synthesizing samples with multiple labels for the (yet unhandled) multi-label few-shot classification scenario. We propose to combine pairs of given examples in feature space, so that the resulting synthesized feature vectors will correspond to examples whose label sets are obtained through certain set operations on the label sets of the corresponding input pairs. Thus, our method is capable of producing a sample containing the intersection, union or set-difference of labels present in two input samples. As we show, these set operations generalize to labels unseen during training. This enables performing augmentation on examples of novel categories, thus, facilitating multi-label few-shot classifier learning. We conduct numerous experiments showing promising results for the label-set manipulation capabilities of the proposed approach, both directly (using the classification and retrieval metrics), and in the context of performing data augmentation for multi-label few-shot learning. We propose a benchmark for this new and challenging task and show that our method compares favorably to all the common baselines.

Data Factors for Better Compositional Generalization

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

Re-imagine the Negative Prompt Algorithm: Transform 2D Diffusion into 3D, alleviate Janus problem and Beyond

Although text-to-image diffusion models have made significant strides in generating images from text, they are sometimes more inclined to generate images like the data on which the model was trained rather than the provided text. This limitation has hindered their usage in both 2D and 3D applications. To address this problem, we explored the use of negative prompts but found that the current implementation fails to produce desired results, particularly when there is an overlap between the main and negative prompts. To overcome this issue, we propose Perp-Neg, a new algorithm that leverages the geometrical properties of the score space to address the shortcomings of the current negative prompts algorithm. Perp-Neg does not require any training or fine-tuning of the model. Moreover, we experimentally demonstrate that Perp-Neg provides greater flexibility in generating images by enabling users to edit out unwanted concepts from the initially generated images in 2D cases. Furthermore, to extend the application of Perp-Neg to 3D, we conducted a thorough exploration of how Perp-Neg can be used in 2D to condition the diffusion model to generate desired views, rather than being biased toward the canonical views. Finally, we applied our 2D intuition to integrate Perp-Neg with the state-of-the-art text-to-3D (DreamFusion) method, effectively addressing its Janus (multi-head) problem. Our project page is available at https://Perp-Neg.github.io/

Transformers as Support Vector Machines

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.

ProSpect: Prompt Spectrum for Attribute-Aware Personalization of Diffusion Models

Personalizing generative models offers a way to guide image generation with user-provided references. Current personalization methods can invert an object or concept into the textual conditioning space and compose new natural sentences for text-to-image diffusion models. However, representing and editing specific visual attributes such as material, style, and layout remains a challenge, leading to a lack of disentanglement and editability. To address this problem, we propose a novel approach that leverages the step-by-step generation process of diffusion models, which generate images from low to high frequency information, providing a new perspective on representing, generating, and editing images. We develop the Prompt Spectrum Space P*, an expanded textual conditioning space, and a new image representation method called \sysname. ProSpect represents an image as a collection of inverted textual token embeddings encoded from per-stage prompts, where each prompt corresponds to a specific generation stage (i.e., a group of consecutive steps) of the diffusion model. Experimental results demonstrate that P* and ProSpect offer better disentanglement and controllability compared to existing methods. We apply ProSpect in various personalized attribute-aware image generation applications, such as image-guided or text-driven manipulations of materials, style, and layout, achieving previously unattainable results from a single image input without fine-tuning the diffusion models. Our source code is available athttps://github.com/zyxElsa/ProSpect.

Pre-training Language Model as a Multi-perspective Course Learner

ELECTRA, the generator-discriminator pre-training framework, has achieved impressive semantic construction capability among various downstream tasks. Despite the convincing performance, ELECTRA still faces the challenges of monotonous training and deficient interaction. Generator with only masked language modeling (MLM) leads to biased learning and label imbalance for discriminator, decreasing learning efficiency; no explicit feedback loop from discriminator to generator results in the chasm between these two components, underutilizing the course learning. In this study, a multi-perspective course learning (MCL) method is proposed to fetch a many degrees and visual angles for sample-efficient pre-training, and to fully leverage the relationship between generator and discriminator. Concretely, three self-supervision courses are designed to alleviate inherent flaws of MLM and balance the label in a multi-perspective way. Besides, two self-correction courses are proposed to bridge the chasm between the two encoders by creating a "correction notebook" for secondary-supervision. Moreover, a course soups trial is conducted to solve the "tug-of-war" dynamics problem of MCL, evolving a stronger pre-trained model. Experimental results show that our method significantly improves ELECTRA's average performance by 2.8% and 3.2% absolute points respectively on GLUE and SQuAD 2.0 benchmarks, and overshadows recent advanced ELECTRA-style models under the same settings. The pre-trained MCL model is available at https://huggingface.co/McmanusChen/MCL-base.

MAGNET: Improving the Multilingual Fairness of Language Models with Adaptive Gradient-Based Tokenization

In multilingual settings, non-Latin scripts and low-resource languages are usually disadvantaged in terms of language models' utility, efficiency, and cost. Specifically, previous studies have reported multiple modeling biases that the current tokenization algorithms introduce to non-Latin script languages, the main one being over-segmentation. In this work, we propose MAGNET; multilingual adaptive gradient-based tokenization to reduce over-segmentation via adaptive gradient-based subword tokenization. MAGNET learns to predict segment boundaries between byte tokens in a sequence via sub-modules within the model, which act as internal boundary predictors (tokenizers). Previous gradient-based tokenization methods aimed for uniform compression across sequences by integrating a single boundary predictor during training and optimizing it end-to-end through stochastic reparameterization alongside the next token prediction objective. However, this approach still results in over-segmentation for non-Latin script languages in multilingual settings. In contrast, MAGNET offers a customizable architecture where byte-level sequences are routed through language-script-specific predictors, each optimized for its respective language script. This modularity enforces equitable segmentation granularity across different language scripts compared to previous methods. Through extensive experiments, we demonstrate that in addition to reducing segmentation disparities, MAGNET also enables faster language modelling and improves downstream utility.

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 .

On the Provable Advantage of Unsupervised Pretraining

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Transformers Learn Higher-Order Optimization Methods for In-Context Learning: A Study with Linear Models

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.

DreamLIP: Language-Image Pre-training with Long Captions

Language-image pre-training largely relies on how precisely and thoroughly a text describes its paired image. In practice, however, the contents of an image can be so rich that well describing them requires lengthy captions (e.g., with 10 sentences), which are usually missing in existing datasets. Consequently, there are currently no clear evidences on whether and how language-image pre-training could benefit from long captions. To figure this out, we first re-caption 30M images with detailed descriptions using a pre-trained Multi-modality Large Language Model (MLLM), and then study the usage of the resulting captions under a contrastive learning framework. We observe that, each sentence within a long caption is very likely to describe the image partially (e.g., an object). Motivated by this, we propose to dynamically sample sub-captions from the text label to construct multiple positive pairs, and introduce a grouping loss to match the embeddings of each sub-caption with its corresponding local image patches in a self-supervised manner. Experimental results on a wide rage of downstream tasks demonstrate the consistent superiority of our method, termed DreamLIP, over previous alternatives, highlighting its fine-grained representational capacity. It is noteworthy that, on the tasks of image-text retrieval and semantic segmentation, our model trained with 30M image-text pairs achieves on par or even better performance than CLIP trained with 400M pairs. Project page is available at https://zyf0619sjtu.github.io/dream-lip.

Large-Scale Domain-Specific Pretraining for Biomedical Vision-Language Processing

Contrastive pretraining on parallel image-text data has attained great success in vision-language processing (VLP), as exemplified by CLIP and related methods. However, prior explorations tend to focus on general domains in the web. Biomedical images and text are rather different, but publicly available datasets are small and skew toward chest X-ray, thus severely limiting progress. In this paper, we conducted by far the largest study on biomedical VLP, using 15 million figure-caption pairs extracted from biomedical research articles in PubMed Central. Our dataset (PMC-15M) is two orders of magnitude larger than existing biomedical image-text datasets such as MIMIC-CXR, and spans a diverse range of biomedical images. The standard CLIP method is suboptimal for the biomedical domain. We propose BiomedCLIP with domain-specific adaptations tailored to biomedical VLP. We conducted extensive experiments and ablation studies on standard biomedical imaging tasks from retrieval to classification to visual question-answering (VQA). BiomedCLIP established new state of the art in a wide range of standard datasets, substantially outperformed prior VLP approaches. Surprisingly, BiomedCLIP even outperformed radiology-specific state-of-the-art models such as BioViL on radiology-specific tasks such as RSNA pneumonia detection, thus highlighting the utility in large-scale pretraining across all biomedical image types. We will release our models at https://aka.ms/biomedclip to facilitate future research in biomedical VLP.

Contrastive Learning and Mixture of Experts Enables Precise Vector Embeddings

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

MatSci-NLP: Evaluating Scientific Language Models on Materials Science Language Tasks Using Text-to-Schema Modeling

We present MatSci-NLP, a natural language benchmark for evaluating the performance of natural language processing (NLP) models on materials science text. We construct the benchmark from publicly available materials science text data to encompass seven different NLP tasks, including conventional NLP tasks like named entity recognition and relation classification, as well as NLP tasks specific to materials science, such as synthesis action retrieval which relates to creating synthesis procedures for materials. We study various BERT-based models pretrained on different scientific text corpora on MatSci-NLP to understand the impact of pretraining strategies on understanding materials science text. Given the scarcity of high-quality annotated data in the materials science domain, we perform our fine-tuning experiments with limited training data to encourage the generalize across MatSci-NLP tasks. Our experiments in this low-resource training setting show that language models pretrained on scientific text outperform BERT trained on general text. MatBERT, a model pretrained specifically on materials science journals, generally performs best for most tasks. Moreover, we propose a unified text-to-schema for multitask learning on \benchmark and compare its performance with traditional fine-tuning methods. In our analysis of different training methods, we find that our proposed text-to-schema methods inspired by question-answering consistently outperform single and multitask NLP fine-tuning methods. The code and datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-ACL23.

Pre-Trained Models: Past, Present and Future

Large-scale pre-trained models (PTMs) such as BERT and GPT have recently achieved great success and become a milestone in the field of artificial intelligence (AI). Owing to sophisticated pre-training objectives and huge model parameters, large-scale PTMs can effectively capture knowledge from massive labeled and unlabeled data. By storing knowledge into huge parameters and fine-tuning on specific tasks, the rich knowledge implicitly encoded in huge parameters can benefit a variety of downstream tasks, which has been extensively demonstrated via experimental verification and empirical analysis. It is now the consensus of the AI community to adopt PTMs as backbone for downstream tasks rather than learning models from scratch. In this paper, we take a deep look into the history of pre-training, especially its special relation with transfer learning and self-supervised learning, to reveal the crucial position of PTMs in the AI development spectrum. Further, we comprehensively review the latest breakthroughs of PTMs. These breakthroughs are driven by the surge of computational power and the increasing availability of data, towards four important directions: designing effective architectures, utilizing rich contexts, improving computational efficiency, and conducting interpretation and theoretical analysis. Finally, we discuss a series of open problems and research directions of PTMs, and hope our view can inspire and advance the future study of PTMs.

Improving Fractal Pre-training

The deep neural networks used in modern computer vision systems require enormous image datasets to train them. These carefully-curated datasets typically have a million or more images, across a thousand or more distinct categories. The process of creating and curating such a dataset is a monumental undertaking, demanding extensive effort and labelling expense and necessitating careful navigation of technical and social issues such as label accuracy, copyright ownership, and content bias. What if we had a way to harness the power of large image datasets but with few or none of the major issues and concerns currently faced? This paper extends the recent work of Kataoka et. al. (2020), proposing an improved pre-training dataset based on dynamically-generated fractal images. Challenging issues with large-scale image datasets become points of elegance for fractal pre-training: perfect label accuracy at zero cost; no need to store/transmit large image archives; no privacy/demographic bias/concerns of inappropriate content, as no humans are pictured; limitless supply and diversity of images; and the images are free/open-source. Perhaps surprisingly, avoiding these difficulties imposes only a small penalty in performance. Leveraging a newly-proposed pre-training task -- multi-instance prediction -- our experiments demonstrate that fine-tuning a network pre-trained using fractals attains 92.7-98.1% of the accuracy of an ImageNet pre-trained network.

Self-supervised Learning on Graphs: Deep Insights and New Direction

The success of deep learning notoriously requires larger amounts of costly annotated data. This has led to the development of self-supervised learning (SSL) that aims to alleviate this limitation by creating domain specific pretext tasks on unlabeled data. Simultaneously, there are increasing interests in generalizing deep learning to the graph domain in the form of graph neural networks (GNNs). GNNs can naturally utilize unlabeled nodes through the simple neighborhood aggregation that is unable to thoroughly make use of unlabeled nodes. Thus, we seek to harness SSL for GNNs to fully exploit the unlabeled data. Different from data instances in the image and text domains, nodes in graphs present unique structure information and they are inherently linked indicating not independent and identically distributed (or i.i.d.). Such complexity is a double-edged sword for SSL on graphs. On the one hand, it determines that it is challenging to adopt solutions from the image and text domains to graphs and dedicated efforts are desired. On the other hand, it provides rich information that enables us to build SSL from a variety of perspectives. Thus, in this paper, we first deepen our understandings on when, why, and which strategies of SSL work with GNNs by empirically studying numerous basic SSL pretext tasks on graphs. Inspired by deep insights from the empirical studies, we propose a new direction SelfTask to build advanced pretext tasks that are able to achieve state-of-the-art performance on various real-world datasets. The specific experimental settings to reproduce our results can be found in https://github.com/ChandlerBang/SelfTask-GNN.

Contrastive Learning with Adversarial Perturbations for Conditional Text Generation

Recently, sequence-to-sequence (seq2seq) models with the Transformer architecture have achieved remarkable performance on various conditional text generation tasks, such as machine translation. However, most of them are trained with teacher forcing with the ground truth label given at each time step, without being exposed to incorrectly generated tokens during training, which hurts its generalization to unseen inputs, that is known as the "exposure bias" problem. In this work, we propose to mitigate the conditional text generation problem by contrasting positive pairs with negative pairs, such that the model is exposed to various valid or incorrect perturbations of the inputs, for improved generalization. However, training the model with naive contrastive learning framework using random non-target sequences as negative examples is suboptimal, since they are easily distinguishable from the correct output, especially so with models pretrained with large text corpora. Also, generating positive examples requires domain-specific augmentation heuristics which may not generalize over diverse domains. To tackle this problem, we propose a principled method to generate positive and negative samples for contrastive learning of seq2seq models. Specifically, we generate negative examples by adding small perturbations to the input sequence to minimize its conditional likelihood, and positive examples by adding large perturbations while enforcing it to have a high conditional likelihood. Such "hard" positive and negative pairs generated using our method guides the model to better distinguish correct outputs from incorrect ones. We empirically show that our proposed method significantly improves the generalization of the seq2seq on three text generation tasks - machine translation, text summarization, and question generation.

Rethinking Multiple Instance Learning for Whole Slide Image Classification: A Good Instance Classifier is All You Need

Weakly supervised whole slide image classification is usually formulated as a multiple instance learning (MIL) problem, where each slide is treated as a bag, and the patches cut out of it are treated as instances. Existing methods either train an instance classifier through pseudo-labeling or aggregate instance features into a bag feature through attention mechanisms and then train a bag classifier, where the attention scores can be used for instance-level classification. However, the pseudo instance labels constructed by the former usually contain a lot of noise, and the attention scores constructed by the latter are not accurate enough, both of which affect their performance. In this paper, we propose an instance-level MIL framework based on contrastive learning and prototype learning to effectively accomplish both instance classification and bag classification tasks. To this end, we propose an instance-level weakly supervised contrastive learning algorithm for the first time under the MIL setting to effectively learn instance feature representation. We also propose an accurate pseudo label generation method through prototype learning. We then develop a joint training strategy for weakly supervised contrastive learning, prototype learning, and instance classifier training. Extensive experiments and visualizations on four datasets demonstrate the powerful performance of our method. Codes will be available.

Text-to-Image Synthesis for Any Artistic Styles: Advancements in Personalized Artistic Image Generation via Subdivision and Dual Binding

Recent advancements in text-to-image models, such as Stable Diffusion, have demonstrated their ability to synthesize visual images through natural language prompts. One approach of personalizing text-to-image models, exemplified by DreamBooth, fine-tunes the pre-trained model by binding unique text identifiers with a few images of a specific subject. Although existing fine-tuning methods have demonstrated competence in rendering images according to the styles of famous painters, it is still challenging to learn to produce images encapsulating distinct art styles due to abstract and broad visual perceptions of stylistic attributes such as lines, shapes, textures, and colors. In this paper, we introduce a new method, Single-StyleForge, for personalization. It fine-tunes pre-trained text-to-image diffusion models to generate diverse images in specified styles from text prompts. By using around 15-20 images of the target style, the approach establishes a foundational binding of a unique token identifier with a broad range of the target style. It also utilizes auxiliary images to strengthen this binding, resulting in offering specific guidance on representing elements such as persons in a target style-consistent manner. In addition, we present ways to improve the quality of style and text-image alignment through a method called Multi-StyleForge, which inherits the strategy used in StyleForge and learns tokens in multiple. Experimental evaluation conducted on six distinct artistic styles demonstrates substantial improvements in both the quality of generated images and the perceptual fidelity metrics, such as FID, KID, and CLIP scores.

Quality Not Quantity: On the Interaction between Dataset Design and Robustness of CLIP

Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources - YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock - to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that combining multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clip_quality_not_quantity.

Instance-Aware Domain Generalization for Face Anti-Spoofing

Face anti-spoofing (FAS) based on domain generalization (DG) has been recently studied to improve the generalization on unseen scenarios. Previous methods typically rely on domain labels to align the distribution of each domain for learning domain-invariant representations. However, artificial domain labels are coarse-grained and subjective, which cannot reflect real domain distributions accurately. Besides, such domain-aware methods focus on domain-level alignment, which is not fine-grained enough to ensure that learned representations are insensitive to domain styles. To address these issues, we propose a novel perspective for DG FAS that aligns features on the instance level without the need for domain labels. Specifically, Instance-Aware Domain Generalization framework is proposed to learn the generalizable feature by weakening the features' sensitivity to instance-specific styles. Concretely, we propose Asymmetric Instance Adaptive Whitening to adaptively eliminate the style-sensitive feature correlation, boosting the generalization. Moreover, Dynamic Kernel Generator and Categorical Style Assembly are proposed to first extract the instance-specific features and then generate the style-diversified features with large style shifts, respectively, further facilitating the learning of style-insensitive features. Extensive experiments and analysis demonstrate the superiority of our method over state-of-the-art competitors. Code will be publicly available at https://github.com/qianyuzqy/IADG.

Continual Pre-Training of Large Language Models: How to (re)warm your model?

Large language models (LLMs) are routinely pre-trained on billions of tokens, only to restart the process over again once new data becomes available. A much cheaper and more efficient solution would be to enable the continual pre-training of these models, i.e. updating pre-trained models with new data instead of re-training them from scratch. However, the distribution shift induced by novel data typically results in degraded performance on past data. Taking a step towards efficient continual pre-training, in this work, we examine the effect of different warm-up strategies. Our hypothesis is that the learning rate must be re-increased to improve compute efficiency when training on a new dataset. We study the warmup phase of models pre-trained on the Pile (upstream data, 300B tokens) as we continue to pre-train on SlimPajama (downstream data, 297B tokens), following a linear warmup and cosine decay schedule. We conduct all experiments on the Pythia 410M language model architecture and evaluate performance through validation perplexity. We experiment with different pre-training checkpoints, various maximum learning rates, and various warmup lengths. Our results show that while rewarming models first increases the loss on upstream and downstream data, in the longer run it improves the downstream performance, outperforming models trained from scratchx2013even for a large downstream dataset.

Pre-training Tasks for Embedding-based Large-scale Retrieval

We consider the large-scale query-document retrieval problem: given a query (e.g., a question), return the set of relevant documents (e.g., paragraphs containing the answer) from a large document corpus. This problem is often solved in two steps. The retrieval phase first reduces the solution space, returning a subset of candidate documents. The scoring phase then re-ranks the documents. Critically, the retrieval algorithm not only desires high recall but also requires to be highly efficient, returning candidates in time sublinear to the number of documents. Unlike the scoring phase witnessing significant advances recently due to the BERT-style pre-training tasks on cross-attention models, the retrieval phase remains less well studied. Most previous works rely on classic Information Retrieval (IR) methods such as BM-25 (token matching + TF-IDF weights). These models only accept sparse handcrafted features and can not be optimized for different downstream tasks of interest. In this paper, we conduct a comprehensive study on the embedding-based retrieval models. We show that the key ingredient of learning a strong embedding-based Transformer model is the set of pre-training tasks. With adequately designed paragraph-level pre-training tasks, the Transformer models can remarkably improve over the widely-used BM-25 as well as embedding models without Transformers. The paragraph-level pre-training tasks we studied are Inverse Cloze Task (ICT), Body First Selection (BFS), Wiki Link Prediction (WLP), and the combination of all three.

Heterogeneous Graph Contrastive Learning with Meta-path Contexts and Adaptively Weighted Negative Samples

Heterogeneous graph contrastive learning has received wide attention recently. Some existing methods use meta-paths, which are sequences of object types that capture semantic relationships between objects, to construct contrastive views. However, most of them ignore the rich meta-path context information that describes how two objects are connected by meta-paths. Further, they fail to distinguish negative samples, which could adversely affect the model performance. To address the problems, we propose MEOW, which considers both meta-path contexts and weighted negative samples. Specifically, MEOW constructs a coarse view and a fine-grained view for contrast. The former reflects which objects are connected by meta-paths, while the latter uses meta-path contexts and characterizes details on how the objects are connected. Then, we theoretically analyze the InfoNCE loss and recognize its limitations for computing gradients of negative samples. To better distinguish negative samples, we learn hard-valued weights for them based on node clustering and use prototypical contrastive learning to pull close embeddings of nodes in the same cluster. In addition, we propose a variant model AdaMEOW that adaptively learns soft-valued weights of negative samples to further improve node representation. Finally, we conduct extensive experiments to show the superiority of MEOW and AdaMEOW against other state-of-the-art methods.

Sequential Training of Neural Networks with Gradient Boosting

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

A Simple Baseline that Questions the Use of Pretrained-Models in Continual Learning

With the success of pretraining techniques in representation learning, a number of continual learning methods based on pretrained models have been proposed. Some of these methods design continual learning mechanisms on the pre-trained representations and only allow minimum updates or even no updates of the backbone models during the training of continual learning. In this paper, we question whether the complexity of these models is needed to achieve good performance by comparing them to a simple baseline that we designed. We argue that the pretrained feature extractor itself can be strong enough to achieve a competitive or even better continual learning performance on Split-CIFAR100 and CoRe 50 benchmarks. To validate this, we conduct a very simple baseline that 1) use the frozen pretrained model to extract image features for every class encountered during the continual learning stage and compute their corresponding mean features on training data, and 2) predict the class of the input based on the nearest neighbor distance between test samples and mean features of the classes; i.e., Nearest Mean Classifier (NMC). This baseline is single-headed, exemplar-free, and can be task-free (by updating the means continually). This baseline achieved 88.53% on 10-Split-CIFAR-100, surpassing most state-of-the-art continual learning methods that are all initialized using the same pretrained transformer model. We hope our baseline may encourage future progress in designing learning systems that can continually add quality to the learning representations even if they started from some pretrained weights.

Adversarial Style Augmentation for Domain Generalization

It is well-known that the performance of well-trained deep neural networks may degrade significantly when they are applied to data with even slightly shifted distributions. Recent studies have shown that introducing certain perturbation on feature statistics (\eg, mean and standard deviation) during training can enhance the cross-domain generalization ability. Existing methods typically conduct such perturbation by utilizing the feature statistics within a mini-batch, limiting their representation capability. Inspired by the domain generalization objective, we introduce a novel Adversarial Style Augmentation (ASA) method, which explores broader style spaces by generating more effective statistics perturbation via adversarial training. Specifically, we first search for the most sensitive direction and intensity for statistics perturbation by maximizing the task loss. By updating the model against the adversarial statistics perturbation during training, we allow the model to explore the worst-case domain and hence improve its generalization performance. To facilitate the application of ASA, we design a simple yet effective module, namely AdvStyle, which instantiates the ASA method in a plug-and-play manner. We justify the efficacy of AdvStyle on tasks of cross-domain classification and instance retrieval. It achieves higher mean accuracy and lower performance fluctuation. Especially, our method significantly outperforms its competitors on the PACS dataset under the single source generalization setting, \eg, boosting the classification accuracy from 61.2\% to 67.1\% with a ResNet50 backbone. Our code will be available at https://github.com/YBZh/AdvStyle.

No "Zero-Shot" Without Exponential Data: Pretraining Concept Frequency Determines Multimodal Model Performance

Web-crawled pretraining datasets underlie the impressive "zero-shot" evaluation performance of multimodal models, such as CLIP for classification/retrieval and Stable-Diffusion for image generation. However, it is unclear how meaningful the notion of "zero-shot" generalization is for such multimodal models, as it is not known to what extent their pretraining datasets encompass the downstream concepts targeted for during "zero-shot" evaluation. In this work, we ask: How is the performance of multimodal models on downstream concepts influenced by the frequency of these concepts in their pretraining datasets? We comprehensively investigate this question across 34 models and five standard pretraining datasets (CC-3M, CC-12M, YFCC-15M, LAION-400M, LAION-Aesthetics), generating over 300GB of data artifacts. We consistently find that, far from exhibiting "zero-shot" generalization, multimodal models require exponentially more data to achieve linear improvements in downstream "zero-shot" performance, following a sample inefficient log-linear scaling trend. This trend persists even when controlling for sample-level similarity between pretraining and downstream datasets, and testing on purely synthetic data distributions. Furthermore, upon benchmarking models on long-tailed data sampled based on our analysis, we demonstrate that multimodal models across the board perform poorly. We contribute this long-tail test set as the "Let it Wag!" benchmark to further research in this direction. Taken together, our study reveals an exponential need for training data which implies that the key to "zero-shot" generalization capabilities under large-scale training paradigms remains to be found.

AlignIT: Enhancing Prompt Alignment in Customization of Text-to-Image Models

We consider the problem of customizing text-to-image diffusion models with user-supplied reference images. Given new prompts, the existing methods can capture the key concept from the reference images but fail to align the generated image with the prompt. In this work, we seek to address this key issue by proposing new methods that can easily be used in conjunction with existing customization methods that optimize the embeddings/weights at various intermediate stages of the text encoding process. The first contribution of this paper is a dissection of the various stages of the text encoding process leading up to the conditioning vector for text-to-image models. We take a holistic view of existing customization methods and notice that key and value outputs from this process differs substantially from their corresponding baseline (non-customized) models (e.g., baseline stable diffusion). While this difference does not impact the concept being customized, it leads to other parts of the generated image not being aligned with the prompt. Further, we also observe that these keys and values allow independent control various aspects of the final generation, enabling semantic manipulation of the output. Taken together, the features spanning these keys and values, serve as the basis for our next contribution where we fix the aforementioned issues with existing methods. We propose a new post-processing algorithm, AlignIT, that infuses the keys and values for the concept of interest while ensuring the keys and values for all other tokens in the input prompt are unchanged. Our proposed method can be plugged in directly to existing customization methods, leading to a substantial performance improvement in the alignment of the final result with the input prompt while retaining the customization quality.

Meaning at the Planck scale? Contextualized word embeddings for doing history, philosophy, and sociology of science

This paper explores the potential of contextualized word embeddings (CWEs) as a new tool in the history, philosophy, and sociology of science (HPSS) for studying contextual and evolving meanings of scientific concepts. Using the term "Planck" as a test case, I evaluate five BERT-based models with varying degrees of domain-specific pretraining, including my custom model Astro-HEP-BERT, trained on the Astro-HEP Corpus, a dataset containing 21.84 million paragraphs from 600,000 articles in astrophysics and high-energy physics. For this analysis, I compiled two labeled datasets: (1) the Astro-HEP-Planck Corpus, consisting of 2,900 labeled occurrences of "Planck" sampled from 1,500 paragraphs in the Astro-HEP Corpus, and (2) a physics-related Wikipedia dataset comprising 1,186 labeled occurrences of "Planck" across 885 paragraphs. Results demonstrate that the domain-adapted models outperform the general-purpose ones in disambiguating the target term, predicting its known meanings, and generating high-quality sense clusters, as measured by a novel purity indicator I developed. Additionally, this approach reveals semantic shifts in the target term over three decades in the unlabeled Astro-HEP Corpus, highlighting the emergence of the Planck space mission as a dominant sense. The study underscores the importance of domain-specific pretraining for analyzing scientific language and demonstrates the cost-effectiveness of adapting pretrained models for HPSS research. By offering a scalable and transferable method for modeling the meanings of scientific concepts, CWEs open up new avenues for investigating the socio-historical dynamics of scientific discourses.

A Comprehensive Survey on Pretrained Foundation Models: A History from BERT to ChatGPT

Pretrained Foundation Models (PFMs) are regarded as the foundation for various downstream tasks with different data modalities. A PFM (e.g., BERT, ChatGPT, and GPT-4) is trained on large-scale data which provides a reasonable parameter initialization for a wide range of downstream applications. BERT learns bidirectional encoder representations from Transformers, which are trained on large datasets as contextual language models. Similarly, the generative pretrained transformer (GPT) method employs Transformers as the feature extractor and is trained using an autoregressive paradigm on large datasets. Recently, ChatGPT shows promising success on large language models, which applies an autoregressive language model with zero shot or few shot prompting. The remarkable achievements of PFM have brought significant breakthroughs to various fields of AI. Numerous studies have proposed different methods, raising the demand for an updated survey. This study provides a comprehensive review of recent research advancements, challenges, and opportunities for PFMs in text, image, graph, as well as other data modalities. The review covers the basic components and existing pretraining methods used in natural language processing, computer vision, and graph learning. Additionally, it explores advanced PFMs used for different data modalities and unified PFMs that consider data quality and quantity. The review also discusses research related to the fundamentals of PFMs, such as model efficiency and compression, security, and privacy. Finally, the study provides key implications, future research directions, challenges, and open problems in the field of PFMs. Overall, this survey aims to shed light on the research of the PFMs on scalability, security, logical reasoning ability, cross-domain learning ability, and the user-friendly interactive ability for artificial general intelligence.

GraphFM: A Comprehensive Benchmark for Graph Foundation Model

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised learning as the cornerstone of FMs, several outstanding issues persist in Graph Foundation Models that rely on graph self-supervised learning, namely: 1) Homogenization. The extent of generalization capability on downstream tasks remains unclear. 2) Scalability. It is unknown how effectively these models can scale to large datasets. 3) Efficiency. The training time and memory usage of these models require evaluation. 4) Training Stop Criteria. Determining the optimal stopping strategy for pre-training across multiple tasks to maximize performance on downstream tasks. To address these questions, we have constructed a rigorous benchmark that thoroughly analyzes and studies the generalization and scalability of self-supervised Graph Neural Network (GNN) models. Regarding generalization, we have implemented and compared the performance of various self-supervised GNN models, trained to generate node representations, across tasks such as node classification, link prediction, and node clustering. For scalability, we have compared the performance of various models after training using full-batch and mini-batch strategies. Additionally, we have assessed the training efficiency of these models by conducting experiments to test their GPU memory usage and throughput. Through these experiments, we aim to provide insights to motivate future research. The code for this benchmark is publicly available at https://github.com/NYUSHCS/GraphFM.

ClassDiffusion: More Aligned Personalization Tuning with Explicit Class Guidance

Recent text-to-image customization works have been proven successful in generating images of given concepts by fine-tuning the diffusion models on a few examples. However, these methods tend to overfit the concepts, resulting in failure to create the concept under multiple conditions (e.g. headphone is missing when generating a <sks> dog wearing a headphone'). Interestingly, we notice that the base model before fine-tuning exhibits the capability to compose the base concept with other elements (e.g. a dog wearing a headphone) implying that the compositional ability only disappears after personalization tuning. Inspired by this observation, we present ClassDiffusion, a simple technique that leverages a semantic preservation loss to explicitly regulate the concept space when learning the new concept. Despite its simplicity, this helps avoid semantic drift when fine-tuning on the target concepts. Extensive qualitative and quantitative experiments demonstrate that the use of semantic preservation loss effectively improves the compositional abilities of the fine-tune models. In response to the ineffective evaluation of CLIP-T metrics, we introduce BLIP2-T metric, a more equitable and effective evaluation metric for this particular domain. We also provide in-depth empirical study and theoretical analysis to better understand the role of the proposed loss. Lastly, we also extend our ClassDiffusion to personalized video generation, demonstrating its flexibility.

Learning from Future: A Novel Self-Training Framework for Semantic Segmentation

Self-training has shown great potential in semi-supervised learning. Its core idea is to use the model learned on labeled data to generate pseudo-labels for unlabeled samples, and in turn teach itself. To obtain valid supervision, active attempts typically employ a momentum teacher for pseudo-label prediction yet observe the confirmation bias issue, where the incorrect predictions may provide wrong supervision signals and get accumulated in the training process. The primary cause of such a drawback is that the prevailing self-training framework acts as guiding the current state with previous knowledge, because the teacher is updated with the past student only. To alleviate this problem, we propose a novel self-training strategy, which allows the model to learn from the future. Concretely, at each training step, we first virtually optimize the student (i.e., caching the gradients without applying them to the model weights), then update the teacher with the virtual future student, and finally ask the teacher to produce pseudo-labels for the current student as the guidance. In this way, we manage to improve the quality of pseudo-labels and thus boost the performance. We also develop two variants of our future-self-training (FST) framework through peeping at the future both deeply (FST-D) and widely (FST-W). Taking the tasks of unsupervised domain adaptive semantic segmentation and semi-supervised semantic segmentation as the instances, we experimentally demonstrate the effectiveness and superiority of our approach under a wide range of settings. Code will be made publicly available.

Pre-training technique to localize medical BERT and enhance biomedical BERT

Pre-training large-scale neural language models on raw texts has made a significant contribution to improving transfer learning in natural language processing (NLP). With the introduction of transformer-based language models, such as bidirectional encoder representations from transformers (BERT), the performance of information extraction from a free text by NLP has significantly improved for both the general domain and medical domain; however, it is difficult to train specific BERT models that perform well for domains in which there are few publicly available databases of high quality and large size. We hypothesized that this problem can be addressed by up-sampling a domain-specific corpus and using it for pre-training with a larger corpus in a balanced manner. Our proposed method consists of a single intervention with one option: simultaneous pre-training after up-sampling and amplified vocabulary. We conducted three experiments and evaluated the resulting products. We confirmed that our Japanese medical BERT outperformed conventional baselines and the other BERT models in terms of the medical document classification task and that our English BERT pre-trained using both the general and medical-domain corpora performed sufficiently well for practical use in terms of the biomedical language understanding evaluation (BLUE) benchmark. Moreover, our enhanced biomedical BERT model, in which clinical notes were not used during pre-training, showed that both the clinical and biomedical scores of the BLUE benchmark were 0.3 points above that of the ablation model trained without our proposed method. Well-balanced pre-training by up-sampling instances derived from a corpus appropriate for the target task allows us to construct a high-performance BERT model.

Selfie: Self-supervised Pretraining for Image Embedding

We introduce a pretraining technique called Selfie, which stands for SELFie supervised Image Embedding. Selfie generalizes the concept of masked language modeling of BERT (Devlin et al., 2019) to continuous data, such as images, by making use of the Contrastive Predictive Coding loss (Oord et al., 2018). Given masked-out patches in an input image, our method learns to select the correct patch, among other "distractor" patches sampled from the same image, to fill in the masked location. This classification objective sidesteps the need for predicting exact pixel values of the target patches. The pretraining architecture of Selfie includes a network of convolutional blocks to process patches followed by an attention pooling network to summarize the content of unmasked patches before predicting masked ones. During finetuning, we reuse the convolutional weights found by pretraining. We evaluate Selfie on three benchmarks (CIFAR-10, ImageNet 32 x 32, and ImageNet 224 x 224) with varying amounts of labeled data, from 5% to 100% of the training sets. Our pretraining method provides consistent improvements to ResNet-50 across all settings compared to the standard supervised training of the same network. Notably, on ImageNet 224 x 224 with 60 examples per class (5%), our method improves the mean accuracy of ResNet-50 from 35.6% to 46.7%, an improvement of 11.1 points in absolute accuracy. Our pretraining method also improves ResNet-50 training stability, especially on low data regime, by significantly lowering the standard deviation of test accuracies across different runs.

Predictions For Pre-training Language Models

Language model pre-training has proven to be useful in many language understanding tasks. In this paper, we investigate whether it is still helpful to add the self-training method in the pre-training step and the fine-tuning step. Towards this goal, we propose a learning framework that making best use of the unlabel data on the low-resource and high-resource labeled dataset. In industry NLP applications, we have large amounts of data produced by users or customers. Our learning framework is based on this large amounts of unlabel data. First, We use the model fine-tuned on manually labeled dataset to predict pseudo labels for the user-generated unlabeled data. Then we use the pseudo labels to supervise the task-specific training on the large amounts of user-generated data. We consider this task-specific training step on pseudo labels as a pre-training step for the next fine-tuning step. At last, we fine-tune on the manually labeled dataset upon the pre-trained model. In this work, we first empirically show that our method is able to solidly improve the performance by 3.6%, when the manually labeled fine-tuning dataset is relatively small. Then we also show that our method still is able to improve the performance further by 0.2%, when the manually labeled fine-tuning dataset is relatively large enough. We argue that our method make the best use of the unlabel data, which is superior to either pre-training or self-training alone.

There and Back Again: Revisiting Backpropagation Saliency Methods

Saliency methods seek to explain the predictions of a model by producing an importance map across each input sample. A popular class of such methods is based on backpropagating a signal and analyzing the resulting gradient. Despite much research on such methods, relatively little work has been done to clarify the differences between such methods as well as the desiderata of these techniques. Thus, there is a need for rigorously understanding the relationships between different methods as well as their failure modes. In this work, we conduct a thorough analysis of backpropagation-based saliency methods and propose a single framework under which several such methods can be unified. As a result of our study, we make three additional contributions. First, we use our framework to propose NormGrad, a novel saliency method based on the spatial contribution of gradients of convolutional weights. Second, we combine saliency maps at different layers to test the ability of saliency methods to extract complementary information at different network levels (e.g.~trading off spatial resolution and distinctiveness) and we explain why some methods fail at specific layers (e.g., Grad-CAM anywhere besides the last convolutional layer). Third, we introduce a class-sensitivity metric and a meta-learning inspired paradigm applicable to any saliency method for improving sensitivity to the output class being explained.

FreeCustom: Tuning-Free Customized Image Generation for Multi-Concept Composition

Benefiting from large-scale pre-trained text-to-image (T2I) generative models, impressive progress has been achieved in customized image generation, which aims to generate user-specified concepts. Existing approaches have extensively focused on single-concept customization and still encounter challenges when it comes to complex scenarios that involve combining multiple concepts. These approaches often require retraining/fine-tuning using a few images, leading to time-consuming training processes and impeding their swift implementation. Furthermore, the reliance on multiple images to represent a singular concept increases the difficulty of customization. To this end, we propose FreeCustom, a novel tuning-free method to generate customized images of multi-concept composition based on reference concepts, using only one image per concept as input. Specifically, we introduce a new multi-reference self-attention (MRSA) mechanism and a weighted mask strategy that enables the generated image to access and focus more on the reference concepts. In addition, MRSA leverages our key finding that input concepts are better preserved when providing images with context interactions. Experiments show that our method's produced images are consistent with the given concepts and better aligned with the input text. Our method outperforms or performs on par with other training-based methods in terms of multi-concept composition and single-concept customization, but is simpler. Codes can be found at https://github.com/aim-uofa/FreeCustom.

SINE: SINgle Image Editing with Text-to-Image Diffusion Models

Recent works on diffusion models have demonstrated a strong capability for conditioning image generation, e.g., text-guided image synthesis. Such success inspires many efforts trying to use large-scale pre-trained diffusion models for tackling a challenging problem--real image editing. Works conducted in this area learn a unique textual token corresponding to several images containing the same object. However, under many circumstances, only one image is available, such as the painting of the Girl with a Pearl Earring. Using existing works on fine-tuning the pre-trained diffusion models with a single image causes severe overfitting issues. The information leakage from the pre-trained diffusion models makes editing can not keep the same content as the given image while creating new features depicted by the language guidance. This work aims to address the problem of single-image editing. We propose a novel model-based guidance built upon the classifier-free guidance so that the knowledge from the model trained on a single image can be distilled into the pre-trained diffusion model, enabling content creation even with one given image. Additionally, we propose a patch-based fine-tuning that can effectively help the model generate images of arbitrary resolution. We provide extensive experiments to validate the design choices of our approach and show promising editing capabilities, including changing style, content addition, and object manipulation. The code is available for research purposes at https://github.com/zhang-zx/SINE.git .

Improving General Text Embedding Model: Tackling Task Conflict and Data Imbalance through Model Merging

Text embeddings are vital for tasks such as text retrieval and semantic textual similarity (STS). Recently, the advent of pretrained language models, along with unified benchmarks like the Massive Text Embedding Benchmark (MTEB), has facilitated the development of versatile general-purpose text embedding models. Advanced embedding models are typically developed using large-scale multi-task data and joint training across multiple tasks. However, our experimental analysis reveals two significant drawbacks of joint training: 1) Task Conflict: Gradients from different tasks interfere with each other, leading to negative transfer. 2) Data Imbalance: Disproportionate data distribution introduces biases that negatively impact performance across tasks. To overcome these challenges, we explore model merging-a technique that combines independently trained models to mitigate gradient conflicts and balance data distribution. We introduce a novel method, Self Positioning, which efficiently searches for optimal model combinations within the interpolation space of task vectors using stochastic gradient descent. Our experiments demonstrate that Self Positioning significantly enhances multi-task performance on the MTEB dataset, achieving an absolute improvement of 0.7 points. It outperforms traditional resampling methods while reducing computational costs. This work offers a robust approach to building generalized text embedding models with superior performance across diverse embedding-related tasks.

NEVIS'22: A Stream of 100 Tasks Sampled from 30 Years of Computer Vision Research

A shared goal of several machine learning communities like continual learning, meta-learning and transfer learning, is to design algorithms and models that efficiently and robustly adapt to unseen tasks. An even more ambitious goal is to build models that never stop adapting, and that become increasingly more efficient through time by suitably transferring the accrued knowledge. Beyond the study of the actual learning algorithm and model architecture, there are several hurdles towards our quest to build such models, such as the choice of learning protocol, metric of success and data needed to validate research hypotheses. In this work, we introduce the Never-Ending VIsual-classification Stream (NEVIS'22), a benchmark consisting of a stream of over 100 visual classification tasks, sorted chronologically and extracted from papers sampled uniformly from computer vision proceedings spanning the last three decades. The resulting stream reflects what the research community thought was meaningful at any point in time, and it serves as an ideal test bed to assess how well models can adapt to new tasks, and do so better and more efficiently as time goes by. Despite being limited to classification, the resulting stream has a rich diversity of tasks from OCR, to texture analysis, scene recognition, and so forth. The diversity is also reflected in the wide range of dataset sizes, spanning over four orders of magnitude. Overall, NEVIS'22 poses an unprecedented challenge for current sequential learning approaches due to the scale and diversity of tasks, yet with a low entry barrier as it is limited to a single modality and well understood supervised learning problems. Moreover, we provide a reference implementation including strong baselines and an evaluation protocol to compare methods in terms of their trade-off between accuracy and compute.

TextGrad: Automatic "Differentiation" via Text

AI is undergoing a paradigm shift, with breakthroughs achieved by systems orchestrating multiple large language models (LLMs) and other complex components. As a result, developing principled and automated optimization methods for compound AI systems is one of the most important new challenges. Neural networks faced a similar challenge in its early days until backpropagation and automatic differentiation transformed the field by making optimization turn-key. Inspired by this, we introduce TextGrad, a powerful framework performing automatic ``differentiation'' via text. TextGrad backpropagates textual feedback provided by LLMs to improve individual components of a compound AI system. In our framework, LLMs provide rich, general, natural language suggestions to optimize variables in computation graphs, ranging from code snippets to molecular structures. TextGrad follows PyTorch's syntax and abstraction and is flexible and easy-to-use. It works out-of-the-box for a variety of tasks, where the users only provide the objective function without tuning components or prompts of the framework. We showcase TextGrad's effectiveness and generality across a diverse range of applications, from question answering and molecule optimization to radiotherapy treatment planning. Without modifying the framework, TextGrad improves the zero-shot accuracy of GPT-4o in Google-Proof Question Answering from 51% to 55%, yields 20% relative performance gain in optimizing LeetCode-Hard coding problem solutions, improves prompts for reasoning, designs new druglike small molecules with desirable in silico binding, and designs radiation oncology treatment plans with high specificity. TextGrad lays a foundation to accelerate the development of the next-generation of AI systems.

MonoByte: A Pool of Monolingual Byte-level Language Models

The zero-shot cross-lingual ability of models pretrained on multilingual and even monolingual corpora has spurred many hypotheses to explain this intriguing empirical result. However, due to the costs of pretraining, most research uses public models whose pretraining methodology, such as the choice of tokenization, corpus size, and computational budget, might differ drastically. When researchers pretrain their own models, they often do so under a constrained budget, and the resulting models might underperform significantly compared to SOTA models. These experimental differences led to various inconsistent conclusions about the nature of the cross-lingual ability of these models. To help further research on the topic, we released 10 monolingual byte-level models rigorously pretrained under the same configuration with a large compute budget (equivalent to 420 days on a V100) and corpora that are 4 times larger than the original BERT's. Because they are tokenizer-free, the problem of unseen token embeddings is eliminated, thus allowing researchers to try a wider range of cross-lingual experiments in languages with different scripts. Additionally, we release two models pretrained on non-natural language texts that can be used in sanity-check experiments. Experiments on QA and NLI tasks show that our monolingual models achieve competitive performance to the multilingual one, and hence can be served to strengthen our understanding of cross-lingual transferability in language models.

One Epoch Is All You Need

In unsupervised learning, collecting more data is not always a costly process unlike the training. For example, it is not hard to enlarge the 40GB WebText used for training GPT-2 by modifying its sampling methodology considering how many webpages there are in the Internet. On the other hand, given that training on this dataset already costs tens of thousands of dollars, training on a larger dataset naively is not cost-wise feasible. In this paper, we suggest to train on a larger dataset for only one epoch unlike the current practice, in which the unsupervised models are trained for from tens to hundreds of epochs. Furthermore, we suggest to adjust the model size and the number of iterations to be performed appropriately. We show that the performance of Transformer language model becomes dramatically improved in this way, especially if the original number of epochs is greater. For example, by replacing the training for 10 epochs with the one epoch training, this translates to 1.9-3.3x speedup in wall-clock time in our settings and more if the original number of epochs is greater. Under one epoch training, no overfitting occurs, and regularization method does nothing but slows down the training. Also, the curve of test loss over iterations follows power-law extensively. We compare the wall-clock time of the training of models with different parameter budget under one epoch training, and we show that size/iteration adjustment based on our proposed heuristics leads to 1-2.7x speedup in our cases. With the two methods combined, we achieve 3.3-5.1x speedup. Finally, we speculate various implications of one epoch training and size/iteration adjustment. In particular, based on our analysis we believe that we can reduce the cost to train the state-of-the-art models as BERT and GPT-2 dramatically, maybe even by the factor of 10.

Pre-train, Prompt, and Predict: A Systematic Survey of Prompting Methods in Natural Language Processing

This paper surveys and organizes research works in a new paradigm in natural language processing, which we dub "prompt-based learning". Unlike traditional supervised learning, which trains a model to take in an input x and predict an output y as P(y|x), prompt-based learning is based on language models that model the probability of text directly. To use these models to perform prediction tasks, the original input x is modified using a template into a textual string prompt x' that has some unfilled slots, and then the language model is used to probabilistically fill the unfilled information to obtain a final string x, from which the final output y can be derived. This framework is powerful and attractive for a number of reasons: it allows the language model to be pre-trained on massive amounts of raw text, and by defining a new prompting function the model is able to perform few-shot or even zero-shot learning, adapting to new scenarios with few or no labeled data. In this paper we introduce the basics of this promising paradigm, describe a unified set of mathematical notations that can cover a wide variety of existing work, and organize existing work along several dimensions, e.g.the choice of pre-trained models, prompts, and tuning strategies. To make the field more accessible to interested beginners, we not only make a systematic review of existing works and a highly structured typology of prompt-based concepts, but also release other resources, e.g., a website http://pretrain.nlpedia.ai/ including constantly-updated survey, and paperlist.