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Nov 19

From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective optimization in protein design. Yet whether RL can push PLMs beyond their pretraining priors to uncover latent sequence-structure-function rules remains unclear. We address this by pairing RL with PLMs across four domains: antimicrobial peptide design, kinase variant optimization, antibody engineering, and inverse folding. Using diverse RL algorithms and model classes, we ask if RL improves sampling efficiency and, more importantly, if it reveals capabilities not captured by supervised learning. Across benchmarks, RL consistently boosts success rates and sample efficiency. Performance follows a three-factor interaction: task headroom, reward fidelity, and policy capacity jointly determine gains. When rewards are accurate and informative, policies have sufficient capacity, and tasks leave room beyond supervised baselines, improvements scale; when rewards are noisy or capacity is constrained, gains saturate despite exploration. This view yields practical guidance for RL in protein design: prioritize reward modeling and calibration before scaling policy size, match algorithm and regularization strength to task difficulty, and allocate capacity where marginal gains are largest. Implementation is available at https://github.com/chq1155/RL-PLM.

  • 15 authors
·
Oct 1

E2S2: Encoding-Enhanced Sequence-to-Sequence Pretraining for Language Understanding and Generation

Sequence-to-sequence (seq2seq) learning is a popular fashion for large-scale pretraining language models. However, the prior seq2seq pretraining models generally focus on reconstructive objectives on the decoder side and neglect the effect of encoder-side supervision, which we argue may lead to sub-optimal performance. To verify our hypothesis, we first empirically study the functionalities of the encoder and decoder in seq2seq pretrained language models, and find that the encoder takes an important but under-exploitation role than the decoder regarding the downstream performance and neuron activation. Therefore, we propose an encoding-enhanced seq2seq pretraining strategy, namely E2S2, which improves the seq2seq models via integrating more efficient self-supervised information into the encoders. Specifically, E2S2 adopts two self-supervised objectives on the encoder side from two aspects: 1) locally denoising the corrupted sentence (denoising objective); and 2) globally learning better sentence representations (contrastive objective). With the help of both objectives, the encoder can effectively distinguish the noise tokens and capture high-level (i.e. syntactic and semantic) knowledge, thus strengthening the ability of seq2seq model to accurately achieve the conditional generation. On a large diversity of downstream natural language understanding and generation tasks, E2S2 dominantly improves the performance of its powerful backbone models, e.g. BART and T5. For example, upon BART backbone, we achieve +1.1% averaged gain on the general language understanding evaluation (GLUE) benchmark and +1.75% F_0.5 score improvement on CoNLL2014 dataset. We also provide in-depth analyses to show the improvement stems from better linguistic representation. We hope that our work will foster future self-supervision research on seq2seq language model pretraining.

  • 5 authors
·
May 30, 2022

Never Train from Scratch: Fair Comparison of Long-Sequence Models Requires Data-Driven Priors

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

  • 3 authors
·
Oct 4, 2023

The Inherent Limits of Pretrained LLMs: The Unexpected Convergence of Instruction Tuning and In-Context Learning Capabilities

Large Language Models (LLMs), trained on extensive web-scale corpora, have demonstrated remarkable abilities across diverse tasks, especially as they are scaled up. Nevertheless, even state-of-the-art models struggle in certain cases, sometimes failing at problems solvable by young children, indicating that traditional notions of task complexity are insufficient for explaining LLM capabilities. However, exploring LLM capabilities is complicated by the fact that most widely-used models are also "instruction-tuned" to respond appropriately to prompts. With the goal of disentangling the factors influencing LLM performance, we investigate whether instruction-tuned models possess fundamentally different capabilities from base models that are prompted using in-context examples. Through extensive experiments across various model families, scales and task types, which included instruction tuning 90 different LLMs, we demonstrate that the performance of instruction-tuned models is significantly correlated with the in-context performance of their base counterparts. By clarifying what instruction-tuning contributes, we extend prior research into in-context learning, which suggests that base models use priors from pretraining data to solve tasks. Specifically, we extend this understanding to instruction-tuned models, suggesting that their pretraining data similarly sets a limiting boundary on the tasks they can solve, with the added influence of the instruction-tuning dataset.

  • 3 authors
·
Jan 15

D2E: Scaling Vision-Action Pretraining on Desktop Data for Transfer to Embodied AI

Large language models leverage internet-scale text data, yet embodied AI remains constrained by the prohibitive costs of physical trajectory collection. Desktop environments -- particularly gaming -- offer a compelling alternative: they provide rich sensorimotor interactions at scale while maintaining the structured observation-action coupling essential for embodied learning. We present D2E (Desktop to Embodied AI), a framework that demonstrates desktop interactions can serve as an effective pretraining substrate for robotics embodied AI tasks. Unlike prior work that remained domain-specific (e.g., VPT for Minecraft) or kept data proprietary (e.g., SIMA), D2E establishes a complete pipeline from scalable desktop data collection to verified transfer in embodied domains. Our framework comprises three components: (1) the OWA Toolkit that unifies diverse desktop interactions into a standardized format with 152x compression, (2) the Generalist-IDM that achieves strong zero-shot generalization across unseen games through timestamp-based event prediction, enabling internet-scale pseudo-labeling, and (3) VAPT that transfers desktop-pretrained representations to physical manipulation and navigation. Using 1.3K+ hours of data (259 hours of human demonstrations, and 1K+ hours of pseudo-labeled gameplay), we achieve a total of 96.6% success rate on LIBERO manipulation and 83.3% on CANVAS navigation benchmarks. This validates that sensorimotor primitives in digital interactions exhibit sufficient invariance to transfer meaningfully to physical embodied tasks, establishing desktop pretraining as a practical paradigm for robotics. We will make all our work public, including the OWA toolkit, datasets of human-collected and pseudo-labeled, and VAPT-trained models available at https://worv-ai.github.io/d2e/

Where to find Grokking in LLM Pretraining? Monitor Memorization-to-Generalization without Test

Grokking, i.e., test performance keeps improving long after training loss converged, has been recently witnessed in neural network training, making the mechanism of generalization and other emerging capabilities such as reasoning mysterious. While prior studies usually train small models on a few toy or highly-specific tasks for thousands of epochs, we conduct the first study of grokking on checkpoints during one-pass pretraining of a 7B large language model (LLM), i.e., OLMoE. We compute the training loss and evaluate generalization on diverse benchmark tasks, including math reasoning, code generation, and commonsense/domain-specific knowledge retrieval tasks. Our study, for the first time, verifies that grokking still happens in the pretraining of large-scale foundation models, though different data may enter grokking stages asynchronously. We further demystify grokking's "emergence of generalization" by investigating LLM internal dynamics. Specifically, we find that training samples' pathways (i.e., expert choices across layers) evolve from random, instance-specific to more structured and shareable between samples during grokking. Also, the complexity of a sample's pathway reduces despite the converged loss. These indicate a memorization-to-generalization conversion, providing a mechanistic explanation of delayed generalization. In the study, we develop two novel metrics to quantify pathway distance and the complexity of a single pathway. We show their ability to predict the generalization improvement on diverse downstream tasks. They are efficient, simple to compute and solely dependent on training data. Hence, they have practical value for pretraining, enabling us to monitor the generalization performance without finetuning and test. Theoretically, we show that more structured pathways reduce model complexity and improve the generalization bound.

  • 3 authors
·
Jun 26 2

Understanding In-Context Learning via Supportive Pretraining Data

In-context learning (ICL) improves language models' performance on a variety of NLP tasks by simply demonstrating a handful of examples at inference time. It is not well understood why ICL ability emerges, as the model has never been specifically trained on such demonstrations. Unlike prior work that explores implicit mechanisms behind ICL, we study ICL via investigating the pretraining data. Specifically, we first adapt an iterative, gradient-based approach to find a small subset of pretraining data that supports ICL. We observe that a continued pretraining on this small subset significantly improves the model's ICL ability, by up to 18%. We then compare the supportive subset constrastively with random subsets of pretraining data and discover: (1) The supportive pretraining data to ICL do not have a higher domain relevance to downstream tasks. (2) The supportive pretraining data have a higher mass of rarely occurring, long-tail tokens. (3) The supportive pretraining data are challenging examples where the information gain from long-range context is below average, indicating learning to incorporate difficult long-range context encourages ICL. Our work takes a first step towards understanding ICL via analyzing instance-level pretraining data. Our insights have a potential to enhance the ICL ability of language models by actively guiding the construction of pretraining data in the future.

  • 6 authors
·
Jun 26, 2023 1

Rethinking Multilingual Continual Pretraining: Data Mixing for Adapting LLMs Across Languages and Resources

Large Language Models (LLMs) exhibit significant disparities in performance across languages, primarily benefiting high-resource languages while marginalizing underrepresented ones. Continual Pretraining (CPT) has emerged as a promising approach to address this imbalance, although the relative effectiveness of monolingual, bilingual, and code-augmented data strategies remains unclear. This study systematically evaluates 36 CPT configurations involving three multilingual base models, across 30+ languages categorized as altruistic, selfish, and stagnant, spanning various resource levels. Our findings reveal three major insights: (1) Bilingual CPT improves multilingual classification but often causes language mixing issues during generation. (2) Including programming code data during CPT consistently enhances multilingual classification accuracy, particularly benefiting low-resource languages, but introduces a trade-off by slightly degrading generation quality. (3) Contrary to prior work, we observe substantial deviations from language classifications according to their impact on cross-lingual transfer: Languages classified as altruistic often negatively affect related languages, selfish languages show conditional and configuration-dependent behavior, and stagnant languages demonstrate surprising adaptability under certain CPT conditions. These nuanced interactions emphasize the complexity of multilingual representation learning, underscoring the importance of systematic studies on generalizable language classification to inform future multilingual CPT strategies.

  • 4 authors
·
Apr 5 2

1.5-Pints Technical Report: Pretraining in Days, Not Months -- Your Language Model Thrives on Quality Data

This paper presents a compute-efficient approach to pre-training a Language Model-the "1.5-Pints"-in only 9 days, while outperforming state-of-the-art models as an instruction-following assistant.Based on MT-Bench (a benchmark that emulates human judgments), 1.5-Pints outperforms Apple's OpenELM and Microsoft's Phi.This is achieved by a carefully curated pre-training dataset of 57 billion tokens, using a mix of automated workflows and manual human review. The selection of the dataset prioritizes content that is considered expository and "textbook-like" to aid the model in reasoning and logical deduction, culminating in its overall ability as a strong and versatile AI model. In terms of the model architecture, we employed a modified Mistral tokenizer, alongside a Llama-2 architecture for wider compatibility. For training, we adopted the methodologies used by StableLM, TinyLlama, and Huggingface Zephyr. 1.5-Pints demonstrates that by focusing on data quality over quantity in LLM training, we can significantly reduce training time and resources required. We believe this approach will not only make pre-training more accessible but also reduce our carbon footprint. Our findings and resources from this research are open-sourced, aiming to facilitate further advancements in the field. The 1.5-Pints model is available in two versions: 2K and 16K context windows.

  • 2 authors
·
Aug 6, 2024

AttentionInfluence: Adopting Attention Head Influence for Weak-to-Strong Pretraining Data Selection

Recently, there has been growing interest in collecting reasoning-intensive pretraining data to improve LLMs' complex reasoning ability. Prior approaches typically rely on supervised classifiers to identify such data, which requires labeling by humans or LLMs, often introducing domain-specific biases. Due to the attention heads being crucial to in-context reasoning, we propose AttentionInfluence, a simple yet effective, training-free method without supervision signal. Our approach enables a small pretrained language model to act as a strong data selector through a simple attention head masking operation. Specifically, we identify retrieval heads and compute the loss difference when masking these heads. We apply AttentionInfluence to a 1.3B-parameter dense model to conduct data selection on the SmolLM corpus of 241B tokens, and mix the SmolLM corpus with the selected subset comprising 73B tokens to pretrain a 7B-parameter dense model using 1T training tokens and WSD learning rate scheduling. Our experimental results demonstrate substantial improvements, ranging from 1.4pp to 3.5pp, across several knowledge-intensive and reasoning-heavy benchmarks (i.e., MMLU, MMLU-Pro, AGIEval-en, GSM8K, and HumanEval). This demonstrates an effective weak-to-strong scaling property, with small models improving the final performance of larger models-offering a promising and scalable path for reasoning-centric data selection.

  • 4 authors
·
May 12 2

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.

  • 13 authors
·
Mar 1, 2023

VITA: Variational Pretraining of Transformers for Climate-Robust Crop Yield Forecasting

Accurate crop yield forecasting is essential for global food security. However, current AI models systematically underperform when yields deviate from historical trends. We attribute this to the lack of rich, physically grounded datasets directly linking atmospheric states to yields. To address this, we introduce VITA (Variational Inference Transformer for Asymmetric data), a variational pretraining framework that learns representations from large satellite-based weather datasets and transfers to the ground-based limited measurements available for yield prediction. VITA is trained using detailed meteorological variables as proxy targets during pretraining and learns to predict latent atmospheric states under a seasonality-aware sinusoidal prior. This allows the model to be fine-tuned using limited weather statistics during deployment. Applied to 763 counties in the U.S. Corn Belt, VITA achieves state-of-the-art performance in predicting corn and soybean yields across all evaluation scenarios, particularly during extreme years, with statistically significant improvements (paired t-test, p < 0.0001). Importantly, VITA outperforms prior frameworks like GNN-RNN without soil data, and bigger foundational models (e.g., Chronos-Bolt) with less compute, making it practical for real-world use--especially in data-scarce regions. This work highlights how domain-aware AI design can overcome data limitations and support resilient agricultural forecasting in a changing climate.

  • 3 authors
·
Aug 5

From Fake to Real: Pretraining on Balanced Synthetic Images to Prevent Spurious Correlations in Image Recognition

Visual recognition models are prone to learning spurious correlations induced by a biased training set where certain conditions B (\eg, Indoors) are over-represented in certain classes Y (\eg, Big Dogs). Synthetic data from off-the-shelf large-scale generative models offers a promising direction to mitigate this issue by augmenting underrepresented subgroups in the real dataset. However, by using a mixed distribution of real and synthetic data, we introduce another source of bias due to distributional differences between synthetic and real data (\eg synthetic artifacts). As we will show, prior work's approach for using synthetic data to resolve the model's bias toward B do not correct the model's bias toward the pair (B, G), where G denotes whether the sample is real or synthetic. Thus, the model could simply learn signals based on the pair (B, G) (\eg, Synthetic Indoors) to make predictions about Y (\eg, Big Dogs). To address this issue, we propose a simple, easy-to-implement, two-step training pipeline that we call From Fake to Real (FFR). The first step of FFR pre-trains a model on balanced synthetic data to learn robust representations across subgroups. In the second step, FFR fine-tunes the model on real data using ERM or common loss-based bias mitigation methods. By training on real and synthetic data separately, FFR does not expose the model to the statistical differences between real and synthetic data and thus avoids the issue of bias toward the pair (B, G). Our experiments show that FFR improves worst group accuracy over the state-of-the-art by up to 20\% over three datasets. Code available: https://github.com/mqraitem/From-Fake-to-Real

  • 3 authors
·
Aug 8, 2023

A Primer on Contrastive Pretraining in Language Processing: Methods, Lessons Learned and Perspectives

Modern natural language processing (NLP) methods employ self-supervised pretraining objectives such as masked language modeling to boost the performance of various application tasks. These pretraining methods are frequently extended with recurrence, adversarial or linguistic property masking, and more recently with contrastive learning objectives. Contrastive self-supervised training objectives enabled recent successes in image representation pretraining by learning to contrast input-input pairs of augmented images as either similar or dissimilar. However, in NLP, automated creation of text input augmentations is still very challenging because a single token can invert the meaning of a sentence. For this reason, some contrastive NLP pretraining methods contrast over input-label pairs, rather than over input-input pairs, using methods from Metric Learning and Energy Based Models. In this survey, we summarize recent self-supervised and supervised contrastive NLP pretraining methods and describe where they are used to improve language modeling, few or zero-shot learning, pretraining data-efficiency and specific NLP end-tasks. We introduce key contrastive learning concepts with lessons learned from prior research and structure works by applications and cross-field relations. Finally, we point to open challenges and future directions for contrastive NLP to encourage bringing contrastive NLP pretraining closer to recent successes in image representation pretraining.

  • 2 authors
·
Feb 25, 2021

In-Context Pretraining: Language Modeling Beyond Document Boundaries

Large language models (LMs) are currently trained to predict tokens given document prefixes, enabling them to directly perform long-form generation and prompting-style tasks which can be reduced to document completion. Existing pretraining pipelines train LMs by concatenating random sets of short documents to create input contexts but the prior documents provide no signal for predicting the next document. We instead present In-Context Pretraining, a new approach where language models are pretrained on a sequence of related documents, thereby explicitly encouraging them to read and reason across document boundaries. We can do In-Context Pretraining by simply changing the document ordering so that each context contains related documents, and directly applying existing pretraining pipelines. However, this document sorting problem is challenging. There are billions of documents and we would like the sort to maximize contextual similarity for every document without repeating any data. To do this, we introduce approximate algorithms for finding related documents with efficient nearest neighbor search and constructing coherent input contexts with a graph traversal algorithm. Our experiments show In-Context Pretraining offers a simple and scalable approach to significantly enhance LMs'performance: we see notable improvements in tasks that require more complex contextual reasoning, including in-context learning (+8%), reading comprehension (+15%), faithfulness to previous contexts (+16%), long-context reasoning (+5%), and retrieval augmentation (+9%).

  • 10 authors
·
Oct 16, 2023 3

Scaling Offline Model-Based RL via Jointly-Optimized World-Action Model Pretraining

A significant aspiration of offline reinforcement learning (RL) is to develop a generalist agent with high capabilities from large and heterogeneous datasets. However, prior approaches that scale offline RL either rely heavily on expert trajectories or struggle to generalize to diverse unseen tasks. Inspired by the excellent generalization of world model in conditional video generation, we explore the potential of image observation-based world model for scaling offline RL and enhancing generalization on novel tasks. In this paper, we introduce JOWA: Jointly-Optimized World-Action model, an offline model-based RL agent pretrained on multiple Atari games with 6 billion tokens data to learn general-purpose representation and decision-making ability. Our method jointly optimizes a world-action model through a shared transformer backbone, which stabilize temporal difference learning with large models during pretraining. Moreover, we propose a provably efficient and parallelizable planning algorithm to compensate for the Q-value estimation error and thus search out better policies. Experimental results indicate that our largest agent, with 150 million parameters, achieves 78.9% human-level performance on pretrained games using only 10% subsampled offline data, outperforming existing state-of-the-art large-scale offline RL baselines by 31.6% on averange. Furthermore, JOWA scales favorably with model capacity and can sample-efficiently transfer to novel games using only 5k offline fine-tuning data (approximately 4 trajectories) per game, demonstrating superior generalization. We will release codes and model weights at https://github.com/CJReinforce/JOWA

  • 8 authors
·
Oct 1, 2024

Pretraining task diversity and the emergence of non-Bayesian in-context learning for regression

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

  • 4 authors
·
Jun 26, 2023

Video PreTraining (VPT): Learning to Act by Watching Unlabeled Online Videos

Pretraining on noisy, internet-scale datasets has been heavily studied as a technique for training models with broad, general capabilities for text, images, and other modalities. However, for many sequential decision domains such as robotics, video games, and computer use, publicly available data does not contain the labels required to train behavioral priors in the same way. We extend the internet-scale pretraining paradigm to sequential decision domains through semi-supervised imitation learning wherein agents learn to act by watching online unlabeled videos. Specifically, we show that with a small amount of labeled data we can train an inverse dynamics model accurate enough to label a huge unlabeled source of online data -- here, online videos of people playing Minecraft -- from which we can then train a general behavioral prior. Despite using the native human interface (mouse and keyboard at 20Hz), we show that this behavioral prior has nontrivial zero-shot capabilities and that it can be fine-tuned, with both imitation learning and reinforcement learning, to hard-exploration tasks that are impossible to learn from scratch via reinforcement learning. For many tasks our models exhibit human-level performance, and we are the first to report computer agents that can craft diamond tools, which can take proficient humans upwards of 20 minutes (24,000 environment actions) of gameplay to accomplish.

  • 9 authors
·
Jun 23, 2022

ProtoCLIP: Prototypical Contrastive Language Image Pretraining

Contrastive Language Image Pretraining (CLIP) has received widespread attention, since its learned representations can be transferred well to various downstream tasks. During the training process of the CLIP model, the InfoNCE objective aligns positive image-text pairs and separates negative ones. We show an underlying representation grouping effect during this process: the InfoNCE objective indirectly groups semantically similar representations together via randomly emerged within-modal anchors. Based on this understanding, in this paper, Prototypical Contrastive Language Image Pretraining (ProtoCLIP) is introduced to enhance such grouping by boosting its efficiency and increasing its robustness against the modality gap. Specifically, ProtoCLIP sets up prototype-level discrimination between image and text spaces, which efficiently transfers higher-level structural knowledge. Further, Prototypical Back Translation (PBT) is proposed to decouple representation grouping from representation alignment, resulting in effective learning of meaningful representations under large modality gap. The PBT also enables us to introduce additional external teachers with richer prior language knowledge. ProtoCLIP is trained with an online episodic training strategy, which makes it can be scaled up to unlimited amounts of data. We train our ProtoCLIP on Conceptual Captions and achieved an +5.81% ImageNet linear probing improvement and an +2.01% ImageNet zero-shot classification improvement. On the larger YFCC-15M dataset, ProtoCLIP matches the performance of CLIP with 33% of training time. Codes are available at https://github.com/megvii-research/protoclip.

  • 7 authors
·
Jun 22, 2022

Prioritized Semantic Learning for Zero-shot Instance Navigation

We study zero-shot instance navigation, in which the agent navigates to a specific object without using object annotations for training. Previous object navigation approaches apply the image-goal navigation (ImageNav) task (go to the location of an image) for pretraining, and transfer the agent to achieve object goals using a vision-language model. However, these approaches lead to issues of semantic neglect, where the model fails to learn meaningful semantic alignments. In this paper, we propose a Prioritized Semantic Learning (PSL) method to improve the semantic understanding ability of navigation agents. Specifically, a semantic-enhanced PSL agent is proposed and a prioritized semantic training strategy is introduced to select goal images that exhibit clear semantic supervision and relax the reward function from strict exact view matching. At inference time, a semantic expansion inference scheme is designed to preserve the same granularity level of the goal semantic as training. Furthermore, for the popular HM3D environment, we present an Instance Navigation (InstanceNav) task that requires going to a specific object instance with detailed descriptions, as opposed to the Object Navigation (ObjectNav) task where the goal is defined merely by the object category. Our PSL agent outperforms the previous state-of-the-art by 66% on zero-shot ObjectNav in terms of success rate and is also superior on the new InstanceNav task. Code will be released at https://github.com/XinyuSun/PSL-InstanceNav.

  • 5 authors
·
Mar 18, 2024

Nemotron-CC-Math: A 133 Billion-Token-Scale High Quality Math Pretraining Dataset

Pretraining large language models (LLMs) on high-quality, structured data such as mathematics and code substantially enhances reasoning capabilities. However, existing math-focused datasets built from Common Crawl suffer from degraded quality due to brittle extraction heuristics, lossy HTML-to-text conversion, and the failure to reliably preserve mathematical structure. In this work, we introduce Nemotron-CC-Math, a large-scale, high-quality mathematical corpus constructed from Common Crawl using a novel, domain-agnostic pipeline specifically designed for robust scientific text extraction. Unlike previous efforts, our pipeline recovers math across various formats (e.g., MathJax, KaTeX, MathML) by leveraging layout-aware rendering with lynx and a targeted LLM-based cleaning stage. This approach preserves the structural integrity of equations and code blocks while removing boilerplate, standardizing notation into LaTeX representation, and correcting inconsistencies. We collected a large, high-quality math corpus, namely Nemotron-CC-Math-3+ (133B tokens) and Nemotron-CC-Math-4+ (52B tokens). Notably, Nemotron-CC-Math-4+ not only surpasses all prior open math datasets-including MegaMath, FineMath, and OpenWebMath-but also contains 5.5 times more tokens than FineMath-4+, which was previously the highest-quality math pretraining dataset. When used to pretrain a Nemotron-T 8B model, our corpus yields +4.8 to +12.6 gains on MATH and +4.6 to +14.3 gains on MBPP+ over strong baselines, while also improving general-domain performance on MMLU and MMLU-Stem. We present the first pipeline to reliably extract scientific content--including math--from noisy web-scale data, yielding measurable gains in math, code, and general reasoning, and setting a new state of the art among open math pretraining corpora. To support open-source efforts, we release our code and datasets.

  • 6 authors
·
Aug 20

A Dataset for Distilling Knowledge Priors from Literature for Therapeutic Design

AI-driven discovery can greatly reduce design time and enhance new therapeutics' effectiveness. Models using simulators explore broad design spaces but risk violating implicit constraints due to a lack of experimental priors. For example, in a new analysis we performed on a diverse set of models on the GuacaMol benchmark using supervised classifiers, over 60\% of molecules proposed had high probability of being mutagenic. In this work, we introduce \ourdataset, a dataset of priors for design problems extracted from literature describing compounds used in lab settings. It is constructed with LLM pipelines for discovering therapeutic entities in relevant paragraphs and summarizing information in concise fair-use facts. \ourdataset~ consists of 32.3 million pairs of natural language facts, and appropriate entity representations (i.e. SMILES or refseq IDs). To demonstrate the potential of the data, we train LLM, CLIP, and LLava architectures to reason jointly about text and design targets and evaluate on tasks from the Therapeutic Data Commons (TDC). \ourdataset~is highly effective for creating models with strong priors: in supervised prediction problems that use our data as pretraining, our best models with 15M learnable parameters outperform larger 2B TxGemma on both regression and classification TDC tasks, and perform comparably to 9B models on average. Models built with \ourdataset~can be used as constraints while optimizing for novel molecules in GuacaMol, resulting in proposals that are safer and nearly as effective. We release our dataset at https://huggingface.co/datasets/medexanon/Medex{huggingface.co/datasets/medexanon/Medex}, and will provide expanded versions as available literature grows.

  • 12 authors
·
Aug 14

DynaMo: In-Domain Dynamics Pretraining for Visuo-Motor Control

Imitation learning has proven to be a powerful tool for training complex visuomotor policies. However, current methods often require hundreds to thousands of expert demonstrations to handle high-dimensional visual observations. A key reason for this poor data efficiency is that visual representations are predominantly either pretrained on out-of-domain data or trained directly through a behavior cloning objective. In this work, we present DynaMo, a new in-domain, self-supervised method for learning visual representations. Given a set of expert demonstrations, we jointly learn a latent inverse dynamics model and a forward dynamics model over a sequence of image embeddings, predicting the next frame in latent space, without augmentations, contrastive sampling, or access to ground truth actions. Importantly, DynaMo does not require any out-of-domain data such as Internet datasets or cross-embodied datasets. On a suite of six simulated and real environments, we show that representations learned with DynaMo significantly improve downstream imitation learning performance over prior self-supervised learning objectives, and pretrained representations. Gains from using DynaMo hold across policy classes such as Behavior Transformer, Diffusion Policy, MLP, and nearest neighbors. Finally, we ablate over key components of DynaMo and measure its impact on downstream policy performance. Robot videos are best viewed at https://dynamo-ssl.github.io

  • 5 authors
·
Sep 18, 2024 3

NovoMolGen: Rethinking Molecular Language Model Pretraining

Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from 10^{23} to 10^{60} possible synthesizable candidates. While various deep generative models have been developed to design small molecules using diverse input representations, Molecular Large Language Models (Mol-LLMs) based on string representations have emerged as a scalable approach capable of exploring billions of molecules. However, there remains limited understanding regarding how standard language modeling practices such as textual representations, tokenization strategies, model size, and dataset scale impact molecular generation performance. In this work, we systematically investigate these critical aspects by introducing NovoMolGen, a family of transformer-based foundation models pretrained on 1.5 billion molecules for de-novo molecule generation. Through extensive empirical analyses, we identify a weak correlation between performance metrics measured during pretraining and actual downstream performance, revealing important distinctions between molecular and general NLP training dynamics. NovoMolGen establishes new state-of-the-art results, substantially outperforming prior Mol-LLMs and specialized generative models in both unconstrained and goal-directed molecular generation tasks, thus providing a robust foundation for advancing efficient and effective molecular modeling strategies.

  • 5 authors
·
Aug 18

Chinese Tiny LLM: Pretraining a Chinese-Centric Large Language Model

In this study, we introduce CT-LLM, a 2B large language model (LLM) that illustrates a pivotal shift towards prioritizing the Chinese language in developing LLMs. Uniquely initiated from scratch, CT-LLM diverges from the conventional methodology by primarily incorporating Chinese textual data, utilizing an extensive corpus of 1,200 billion tokens, including 800 billion Chinese tokens, 300 billion English tokens, and 100 billion code tokens. This strategic composition facilitates the model's exceptional proficiency in understanding and processing Chinese, a capability further enhanced through alignment techniques. Demonstrating remarkable performance on the CHC-Bench, CT-LLM excels in Chinese language tasks, and showcases its adeptness in English through SFT. This research challenges the prevailing paradigm of training LLMs predominantly on English corpora and then adapting them to other languages, broadening the horizons for LLM training methodologies. By open-sourcing the full process of training a Chinese LLM, including a detailed data processing procedure with the obtained Massive Appropriate Pretraining Chinese Corpus (MAP-CC), a well-chosen multidisciplinary Chinese Hard Case Benchmark (CHC-Bench), and the 2B-size Chinese Tiny LLM (CT-LLM), we aim to foster further exploration and innovation in both academia and industry, paving the way for more inclusive and versatile language models.

  • 16 authors
·
Apr 5, 2024 2

BenchX: A Unified Benchmark Framework for Medical Vision-Language Pretraining on Chest X-Rays

Medical Vision-Language Pretraining (MedVLP) shows promise in learning generalizable and transferable visual representations from paired and unpaired medical images and reports. MedVLP can provide useful features to downstream tasks and facilitate adapting task-specific models to new setups using fewer examples. However, existing MedVLP methods often differ in terms of datasets, preprocessing, and finetuning implementations. This pose great challenges in evaluating how well a MedVLP method generalizes to various clinically-relevant tasks due to the lack of unified, standardized, and comprehensive benchmark. To fill this gap, we propose BenchX, a unified benchmark framework that enables head-to-head comparison and systematical analysis between MedVLP methods using public chest X-ray datasets. Specifically, BenchX is composed of three components: 1) Comprehensive datasets covering nine datasets and four medical tasks; 2) Benchmark suites to standardize data preprocessing, train-test splits, and parameter selection; 3) Unified finetuning protocols that accommodate heterogeneous MedVLP methods for consistent task adaptation in classification, segmentation, and report generation, respectively. Utilizing BenchX, we establish baselines for nine state-of-the-art MedVLP methods and found that the performance of some early MedVLP methods can be enhanced to surpass more recent ones, prompting a revisiting of the developments and conclusions from prior works in MedVLP. Our code are available at https://github.com/yangzhou12/BenchX.

  • 7 authors
·
Oct 29, 2024 2

Text-to-CT Generation via 3D Latent Diffusion Model with Contrastive Vision-Language Pretraining

Objective: While recent advances in text-conditioned generative models have enabled the synthesis of realistic medical images, progress has been largely confined to 2D modalities such as chest X-rays. Extending text-to-image generation to volumetric Computed Tomography (CT) remains a significant challenge, due to its high dimensionality, anatomical complexity, and the absence of robust frameworks that align vision-language data in 3D medical imaging. Methods: We introduce a novel architecture for Text-to-CT generation that combines a latent diffusion model with a 3D contrastive vision-language pretraining scheme. Our approach leverages a dual-encoder CLIP-style model trained on paired CT volumes and radiology reports to establish a shared embedding space, which serves as the conditioning input for generation. CT volumes are compressed into a low-dimensional latent space via a pretrained volumetric VAE, enabling efficient 3D denoising diffusion without requiring external super-resolution stages. Results: We evaluate our method on the CT-RATE dataset and conduct a comprehensive assessment of image fidelity, clinical relevance, and semantic alignment. Our model achieves competitive performance across all tasks, significantly outperforming prior baselines for text-to-CT generation. Moreover, we demonstrate that CT scans synthesized by our framework can effectively augment real data, improving downstream diagnostic performance. Conclusion: Our results show that modality-specific vision-language alignment is a key component for high-quality 3D medical image generation. By integrating contrastive pretraining and volumetric diffusion, our method offers a scalable and controllable solution for synthesizing clinically meaningful CT volumes from text, paving the way for new applications in data augmentation, medical education, and automated clinical simulation.

  • 5 authors
·
May 31

Gloss-free Sign Language Translation: Improving from Visual-Language Pretraining

Sign Language Translation (SLT) is a challenging task due to its cross-domain nature, involving the translation of visual-gestural language to text. Many previous methods employ an intermediate representation, i.e., gloss sequences, to facilitate SLT, thus transforming it into a two-stage task of sign language recognition (SLR) followed by sign language translation (SLT). However, the scarcity of gloss-annotated sign language data, combined with the information bottleneck in the mid-level gloss representation, has hindered the further development of the SLT task. To address this challenge, we propose a novel Gloss-Free SLT based on Visual-Language Pretraining (GFSLT-VLP), which improves SLT by inheriting language-oriented prior knowledge from pre-trained models, without any gloss annotation assistance. Our approach involves two stages: (i) integrating Contrastive Language-Image Pre-training (CLIP) with masked self-supervised learning to create pre-tasks that bridge the semantic gap between visual and textual representations and restore masked sentences, and (ii) constructing an end-to-end architecture with an encoder-decoder-like structure that inherits the parameters of the pre-trained Visual Encoder and Text Decoder from the first stage. The seamless combination of these novel designs forms a robust sign language representation and significantly improves gloss-free sign language translation. In particular, we have achieved unprecedented improvements in terms of BLEU-4 score on the PHOENIX14T dataset (>+5) and the CSL-Daily dataset (>+3) compared to state-of-the-art gloss-free SLT methods. Furthermore, our approach also achieves competitive results on the PHOENIX14T dataset when compared with most of the gloss-based methods. Our code is available at https://github.com/zhoubenjia/GFSLT-VLP.

  • 8 authors
·
Jul 27, 2023

ViPRA: Video Prediction for Robot Actions

Can we turn a video prediction model into a robot policy? Videos, including those of humans or teleoperated robots, capture rich physical interactions. However, most of them lack labeled actions, which limits their use in robot learning. We present Video Prediction for Robot Actions (ViPRA), a simple pretraining-finetuning framework that learns continuous robot control from these actionless videos. Instead of directly predicting actions, we train a video-language model to predict both future visual observations and motion-centric latent actions, which serve as intermediate representations of scene dynamics. We train these latent actions using perceptual losses and optical flow consistency to ensure they reflect physically grounded behavior. For downstream control, we introduce a chunked flow matching decoder that maps latent actions to robot-specific continuous action sequences, using only 100 to 200 teleoperated demonstrations. This approach avoids expensive action annotation, supports generalization across embodiments, and enables smooth, high-frequency continuous control upto 22 Hz via chunked action decoding. Unlike prior latent action works that treat pretraining as autoregressive policy learning, explicitly models both what changes and how. Our method outperforms strong baselines, with a 16% gain on the SIMPLER benchmark and a 13% improvement across real world manipulation tasks. We will release models and code at https://vipra-project.github.io

  • 5 authors
·
Nov 10

VEDIT: Latent Prediction Architecture For Procedural Video Representation Learning

Procedural video representation learning is an active research area where the objective is to learn an agent which can anticipate and forecast the future given the present video input, typically in conjunction with textual annotations. Prior works often rely on large-scale pretraining of visual encoders and prediction models with language supervision. However, the necessity and effectiveness of extending compute intensive pretraining to learn video clip sequences with noisy text supervision have not yet been fully validated by previous works. In this work, we show that a strong off-the-shelf frozen pretrained visual encoder, along with a well designed prediction model, can achieve state-of-the-art (SoTA) performance in forecasting and procedural planning without the need for pretraining the prediction model, nor requiring additional supervision from language or ASR. Instead of learning representations from pixel space, our method utilizes the latent embedding space of publicly available vision encoders. By conditioning on frozen clip-level embeddings from observed steps to predict the actions of unseen steps, our prediction model is able to learn robust representations for forecasting through iterative denoising - leveraging the recent advances in diffusion transformers (Peebles & Xie, 2023). Empirical studies over a total of five procedural learning tasks across four datasets (NIV, CrossTask, COIN and Ego4D-v2) show that our model advances the strong baselines in long-horizon action anticipation (+2.6% in Verb ED@20, +3.1% in Noun ED@20), and significantly improves the SoTA in step forecasting (+5.0%), task classification (+3.8%), and procedure planning tasks (up to +2.28% in success rate, +3.39% in mAcc, and +0.90% in mIoU).

  • 7 authors
·
Oct 4, 2024

DiffIR: Efficient Diffusion Model for Image Restoration

Diffusion model (DM) has achieved SOTA performance by modeling the image synthesis process into a sequential application of a denoising network. However, different from image synthesis, image restoration (IR) has a strong constraint to generate results in accordance with ground-truth. Thus, for IR, traditional DMs running massive iterations on a large model to estimate whole images or feature maps is inefficient. To address this issue, we propose an efficient DM for IR (DiffIR), which consists of a compact IR prior extraction network (CPEN), dynamic IR transformer (DIRformer), and denoising network. Specifically, DiffIR has two training stages: pretraining and training DM. In pretraining, we input ground-truth images into CPEN_{S1} to capture a compact IR prior representation (IPR) to guide DIRformer. In the second stage, we train the DM to directly estimate the same IRP as pretrained CPEN_{S1} only using LQ images. We observe that since the IPR is only a compact vector, DiffIR can use fewer iterations than traditional DM to obtain accurate estimations and generate more stable and realistic results. Since the iterations are few, our DiffIR can adopt a joint optimization of CPEN_{S2}, DIRformer, and denoising network, which can further reduce the estimation error influence. We conduct extensive experiments on several IR tasks and achieve SOTA performance while consuming less computational costs. Code is available at https://github.com/Zj-BinXia/DiffIR.

  • 8 authors
·
Mar 16, 2023

Quantum-RAG and PunGPT2: Advancing Low-Resource Language Generation and Retrieval for the Punjabi Language

Despite the rapid advancement of large language models (LLMs), low-resource languages remain largely excluded from the NLP landscape. We present PunGPT2, the first fully open-source suite of Punjabi large language models, trained from scratch on a 35GB domain-diverse corpus encompassing literature, religious texts, news, and social discourse. Unlike prior multilingual approaches, PunGPT2 captures rich syntactic and morphological features unique to Punjabi through a tokenizer optimised with byte pair encoding and linguistically aligned pretraining objectives. To improve factual grounding and domain recall, we introduce Pun-RAG, a retrieval-augmented generation framework combining PunGPT2 with a dense FAISS retriever over a curated Punjabi knowledge base. We further develop Pun-Instruct, a parameter-efficient, instruction-tuned variant using QLoRA, enabling robust zero-shot and instruction-following performance with significantly reduced compute needs. As a key innovation, we propose Quantum-RAG, a novel hybrid retrieval system that fuses sparse (BM25) and dense methods with quantum-inspired semantic matching. By encoding queries using amplitude-based embeddings and retrieving via quantum kernel similarity, Quantum-RAG achieves improved contextual relevance with minimal memory overhead marking the first practical integration of quantum representations in low-resource language generation. Our models significantly outperform strong multilingual baselines (mBERT, mT5, MuRIL) in perplexity, factuality, and fluency. This work provides a scalable, reproducible blueprint for extending LLM capabilities to underrepresented languages and pioneers quantum-aware retrieval in low-resource NLP

  • 2 authors
·
Aug 3

Natural Language Can Help Bridge the Sim2Real Gap

The main challenge in learning image-conditioned robotic policies is acquiring a visual representation conducive to low-level control. Due to the high dimensionality of the image space, learning a good visual representation requires a considerable amount of visual data. However, when learning in the real world, data is expensive. Sim2Real is a promising paradigm for overcoming data scarcity in the real-world target domain by using a simulator to collect large amounts of cheap data closely related to the target task. However, it is difficult to transfer an image-conditioned policy from sim to real when the domains are very visually dissimilar. To bridge the sim2real visual gap, we propose using natural language descriptions of images as a unifying signal across domains that captures the underlying task-relevant semantics. Our key insight is that if two image observations from different domains are labeled with similar language, the policy should predict similar action distributions for both images. We demonstrate that training the image encoder to predict the language description or the distance between descriptions of a sim or real image serves as a useful, data-efficient pretraining step that helps learn a domain-invariant image representation. We can then use this image encoder as the backbone of an IL policy trained simultaneously on a large amount of simulated and a handful of real demonstrations. Our approach outperforms widely used prior sim2real methods and strong vision-language pretraining baselines like CLIP and R3M by 25 to 40%.

  • 4 authors
·
May 16, 2024 1

Leaving Reality to Imagination: Robust Classification via Generated Datasets

Recent research on robustness has revealed significant performance gaps between neural image classifiers trained on datasets that are similar to the test set, and those that are from a naturally shifted distribution, such as sketches, paintings, and animations of the object categories observed during training. Prior work focuses on reducing this gap by designing engineered augmentations of training data or through unsupervised pretraining of a single large model on massive in-the-wild training datasets scraped from the Internet. However, the notion of a dataset is also undergoing a paradigm shift in recent years. With drastic improvements in the quality, ease-of-use, and access to modern generative models, generated data is pervading the web. In this light, we study the question: How do these generated datasets influence the natural robustness of image classifiers? We find that Imagenet classifiers trained on real data augmented with generated data achieve higher accuracy and effective robustness than standard training and popular augmentation strategies in the presence of natural distribution shifts. We analyze various factors influencing these results, including the choice of conditioning strategies and the amount of generated data. Lastly, we introduce and analyze an evolving generated dataset, ImageNet-G-v1, to better benchmark the design, utility, and critique of standalone generated datasets for robust and trustworthy machine learning. The code and datasets are available at https://github.com/Hritikbansal/generative-robustness.

  • 2 authors
·
Feb 5, 2023

Linking Emergent and Natural Languages via Corpus Transfer

The study of language emergence aims to understand how human languages are shaped by perceptual grounding and communicative intent. Computational approaches to emergent communication (EC) predominantly consider referential games in limited domains and analyze the learned protocol within the game framework. As a result, it remains unclear how the emergent languages from these settings connect to natural languages or provide benefits in real-world language processing tasks, where statistical models trained on large text corpora dominate. In this work, we propose a novel way to establish such a link by corpus transfer, i.e. pretraining on a corpus of emergent language for downstream natural language tasks, which is in contrast to prior work that directly transfers speaker and listener parameters. Our approach showcases non-trivial transfer benefits for two different tasks -- language modeling and image captioning. For example, in a low-resource setup (modeling 2 million natural language tokens), pre-training on an emergent language corpus with just 2 million tokens reduces model perplexity by 24.6% on average across ten natural languages. We also introduce a novel metric to predict the transferability of an emergent language by translating emergent messages to natural language captions grounded on the same images. We find that our translation-based metric highly correlates with the downstream performance on modeling natural languages (for instance rho=0.83 on Hebrew), while topographic similarity, a popular metric in previous work, shows surprisingly low correlation (rho=0.003), hinting that simple properties like attribute disentanglement from synthetic domains might not capture the full complexities of natural language. Our findings also indicate potential benefits of moving language emergence forward with natural language resources and models.

  • 6 authors
·
Mar 24, 2022

Improving Performance, Robustness, and Fairness of Radiographic AI Models with Finely-Controllable Synthetic Data

Achieving robust performance and fairness across diverse patient populations remains a challenge in developing clinically deployable deep learning models for diagnostic imaging. Synthetic data generation has emerged as a promising strategy to address limitations in dataset scale and diversity. We introduce RoentGen-v2, a text-to-image diffusion model for chest radiographs that enables fine-grained control over both radiographic findings and patient demographic attributes, including sex, age, and race/ethnicity. RoentGen-v2 is the first model to generate clinically plausible images with demographic conditioning, facilitating the creation of a large, demographically balanced synthetic dataset comprising over 565,000 images. We use this large synthetic dataset to evaluate optimal training pipelines for downstream disease classification models. In contrast to prior work that combines real and synthetic data naively, we propose an improved training strategy that leverages synthetic data for supervised pretraining, followed by fine-tuning on real data. Through extensive evaluation on over 137,000 chest radiographs from five institutions, we demonstrate that synthetic pretraining consistently improves model performance, generalization to out-of-distribution settings, and fairness across demographic subgroups. Across datasets, synthetic pretraining led to a 6.5% accuracy increase in the performance of downstream classification models, compared to a modest 2.7% increase when naively combining real and synthetic data. We observe this performance improvement simultaneously with the reduction of the underdiagnosis fairness gap by 19.3%. These results highlight the potential of synthetic imaging to advance equitable and generalizable medical deep learning under real-world data constraints. We open source our code, trained models, and synthetic dataset at https://github.com/StanfordMIMI/RoentGen-v2 .

  • 11 authors
·
Aug 22

Frustratingly Simple Retrieval Improves Challenging, Reasoning-Intensive Benchmarks

Retrieval-augmented Generation (RAG) has primarily been studied in limited settings, such as factoid question answering; more challenging, reasoning-intensive benchmarks have seen limited success from minimal RAG. In this work, we challenge this prevailing view on established, reasoning-intensive benchmarks: MMLU, MMLU Pro, AGI Eval, GPQA, and MATH. We identify a key missing component in prior work: a usable, web-scale datastore aligned with the breadth of pretraining data. To this end, we introduce CompactDS: a diverse, high-quality, web-scale datastore that achieves high retrieval accuracy and subsecond latency on a single-node. The key insights are (1) most web content can be filtered out without sacrificing coverage, and a compact, high-quality subset is sufficient; and (2) combining in-memory approximate nearest neighbor (ANN) retrieval and on-disk exact search balances speed and recall. Using CompactDS, we show that a minimal RAG pipeline achieves consistent accuracy improvements across all benchmarks and model sizes (8B--70B), with relative gains of 10% on MMLU, 33% on MMLU Pro, 14% on GPQA, and 19% on MATH. No single data source suffices alone, highlighting the importance of diversity of sources (web crawls, curated math, academic papers, textbooks). Finally, we show that our carefully designed in-house datastore matches or outperforms web search engines such as Google Search, as well as recently proposed, complex agent-based RAG systems--all while maintaining simplicity, reproducibility, and self-containment. We release CompactDS and our retrieval pipeline, supporting future research exploring retrieval-based AI systems.

  • 5 authors
·
Jul 1

Revisiting Reinforcement Learning for LLM Reasoning from A Cross-Domain Perspective

Reinforcement learning (RL) has emerged as a promising approach to improve large language model (LLM) reasoning, yet most open efforts focus narrowly on math and code, limiting our understanding of its broader applicability to general reasoning. A key challenge lies in the lack of reliable, scalable RL reward signals across diverse reasoning domains. We introduce Guru, a curated RL reasoning corpus of 92K verifiable examples spanning six reasoning domains--Math, Code, Science, Logic, Simulation, and Tabular--each built through domain-specific reward design, deduplication, and filtering to ensure reliability and effectiveness for RL training. Based on Guru, we systematically revisit established findings in RL for LLM reasoning and observe significant variation across domains. For example, while prior work suggests that RL primarily elicits existing knowledge from pretrained models, our results reveal a more nuanced pattern: domains frequently seen during pretraining (Math, Code, Science) easily benefit from cross-domain RL training, while domains with limited pretraining exposure (Logic, Simulation, and Tabular) require in-domain training to achieve meaningful performance gains, suggesting that RL is likely to facilitate genuine skill acquisition. Finally, we present Guru-7B and Guru-32B, two models that achieve state-of-the-art performance among open models RL-trained with publicly available data, outperforming best baselines by 7.9% and 6.7% on our 17-task evaluation suite across six reasoning domains. We also show that our models effectively improve the Pass@k performance of their base models, particularly on complex tasks less likely to appear in pretraining data. We release data, models, training and evaluation code to facilitate general-purpose reasoning at: https://github.com/LLM360/Reasoning360

Crystal: Illuminating LLM Abilities on Language and Code

Large Language Models (LLMs) specializing in code generation (which are also often referred to as code LLMs), e.g., StarCoder and Code Llama, play increasingly critical roles in various software development scenarios. It is also crucial for code LLMs to possess both code generation and natural language abilities for many specific applications, such as code snippet retrieval using natural language or code explanations. The intricate interaction between acquiring language and coding skills complicates the development of strong code LLMs. Furthermore, there is a lack of thorough prior studies on the LLM pretraining strategy that mixes code and natural language. In this work, we propose a pretraining strategy to enhance the integration of natural language and coding capabilities within a single LLM. Specifically, it includes two phases of training with appropriately adjusted code/language ratios. The resulting model, Crystal, demonstrates remarkable capabilities in both domains. Specifically, it has natural language and coding performance comparable to that of Llama 2 and Code Llama, respectively. Crystal exhibits better data efficiency, using 1.4 trillion tokens compared to the more than 2 trillion tokens used by Llama 2 and Code Llama. We verify our pretraining strategy by analyzing the training process and observe consistent improvements in most benchmarks. We also adopted a typical application adaptation phase with a code-centric data mixture, only to find that it did not lead to enhanced performance or training efficiency, underlining the importance of a carefully designed data recipe. To foster research within the community, we commit to open-sourcing every detail of the pretraining, including our training datasets, code, loggings and 136 checkpoints throughout the training.

  • 11 authors
·
Nov 6, 2024

Reason for Future, Act for Now: A Principled Framework for Autonomous LLM Agents with Provable Sample Efficiency

Large language models (LLMs) demonstrate impressive reasoning abilities, but translating reasoning into actions in the real world remains challenging. In particular, it remains unclear how to complete a given task provably within a minimum number of interactions with the external environment, e.g., through an internal mechanism of reasoning. To this end, we propose a principled framework with provable regret guarantees to orchestrate reasoning and acting, which we call "reason for future, act for now" (RAFA). Specifically, we design a prompt template for reasoning that learns from the memory buffer and plans a future trajectory over a long horizon ("reason for future"). At each step, the LLM agent takes the initial action of the planned trajectory ("act for now"), stores the collected feedback in the memory buffer, and reinvokes the reasoning routine to replan the future trajectory from the new state. The key idea is to cast reasoning in LLMs as learning and planning in Bayesian adaptive Markov decision processes (MDPs). Correspondingly, we prompt LLMs to form an updated posterior of the unknown environment from the memory buffer (learning) and generate an optimal trajectory for multiple future steps that maximizes a value function (planning). The learning and planning subroutines are performed in an "in-context" manner to emulate the actor-critic update for MDPs. Our theoretical analysis proves that the novel combination of long-term reasoning and short-term acting achieves a T regret. In particular, the regret bound highlights an intriguing interplay between the prior knowledge obtained through pretraining and the uncertainty reduction achieved by reasoning and acting. Our empirical validation shows that it outperforms various existing frameworks and achieves nearly perfect scores on a few benchmarks.

  • 7 authors
·
Sep 29, 2023 1

ChocoLlama: Lessons Learned From Teaching Llamas Dutch

While Large Language Models (LLMs) have shown remarkable capabilities in natural language understanding and generation, their performance often lags in lower-resource, non-English languages due to biases in the training data. In this work, we explore strategies for adapting the primarily English LLMs (Llama-2 and Llama-3) to Dutch, a language spoken by 30 million people worldwide yet often underrepresented in LLM development. We collect 104GB of Dutch text (32B tokens) from various sources to first apply continued pretraining using low-rank adaptation (LoRA), complemented with Dutch posttraining strategies provided by prior work. For Llama-2, we consider using (i) the tokenizer of the original model, and (ii) training a new, Dutch-specific tokenizer combined with embedding reinitialization. We evaluate our adapted models, ChocoLlama-2, both on standard benchmarks and a novel Dutch benchmark, ChocoLlama-Bench. Our results demonstrate that LoRA can effectively scale for language adaptation, and that tokenizer modification with careful weight reinitialization can improve performance. Notably, Llama-3 was released during the course of this project and, upon evaluation, demonstrated superior Dutch capabilities compared to our Dutch-adapted versions of Llama-2. We hence apply the same adaptation technique to Llama-3, using its original tokenizer. While our adaptation methods enhanced Llama-2's Dutch capabilities, we found limited gains when applying the same techniques to Llama-3. This suggests that for ever improving, multilingual foundation models, language adaptation techniques may benefit more from focusing on language-specific posttraining rather than on continued pretraining. We hope this work contributes to the broader understanding of adapting LLMs to lower-resource languages, and to the development of Dutch LLMs in particular.

  • 6 authors
·
Dec 10, 2024

Protap: A Benchmark for Protein Modeling on Realistic Downstream Applications

Recently, extensive deep learning architectures and pretraining strategies have been explored to support downstream protein applications. Additionally, domain-specific models incorporating biological knowledge have been developed to enhance performance in specialized tasks. In this work, we introduce Protap, a comprehensive benchmark that systematically compares backbone architectures, pretraining strategies, and domain-specific models across diverse and realistic downstream protein applications. Specifically, Protap covers five applications: three general tasks and two novel specialized tasks, i.e., enzyme-catalyzed protein cleavage site prediction and targeted protein degradation, which are industrially relevant yet missing from existing benchmarks. For each application, Protap compares various domain-specific models and general architectures under multiple pretraining settings. Our empirical studies imply that: (i) Though large-scale pretraining encoders achieve great results, they often underperform supervised encoders trained on small downstream training sets. (ii) Incorporating structural information during downstream fine-tuning can match or even outperform protein language models pretrained on large-scale sequence corpora. (iii) Domain-specific biological priors can enhance performance on specialized downstream tasks. Code and datasets are publicly available at https://github.com/Trust-App-AI-Lab/protap.

  • 10 authors
·
Jun 1

General Reasoning Requires Learning to Reason from the Get-go

Large Language Models (LLMs) have demonstrated impressive real-world utility, exemplifying artificial useful intelligence (AUI). However, their ability to reason adaptively and robustly -- the hallmarks of artificial general intelligence (AGI) -- remains fragile. While LLMs seemingly succeed in commonsense reasoning, programming, and mathematics, they struggle to generalize algorithmic understanding across novel contexts. Our experiments with algorithmic tasks in esoteric programming languages reveal that LLM's reasoning overfits to the training data and is limited in its transferability. We hypothesize that the core issue underlying such limited transferability is the coupling of reasoning and knowledge in LLMs. To transition from AUI to AGI, we propose disentangling knowledge and reasoning through three key directions: (1) pretaining to reason using RL from scratch as an alternative to the widely used next-token prediction pretraining, (2) using a curriculum of synthetic tasks to ease the learning of a reasoning prior for RL that can then be transferred to natural language tasks, and (3) learning more generalizable reasoning functions using a small context window to reduce exploiting spurious correlations between tokens. Such a reasoning system coupled with a trained retrieval system and a large external memory bank as a knowledge store can overcome several limitations of existing architectures at learning to reason in novel scenarios.

  • 4 authors
·
Feb 26 2

Multimodal Diffusion Transformer: Learning Versatile Behavior from Multimodal Goals

This work introduces the Multimodal Diffusion Transformer (MDT), a novel diffusion policy framework, that excels at learning versatile behavior from multimodal goal specifications with few language annotations. MDT leverages a diffusion-based multimodal transformer backbone and two self-supervised auxiliary objectives to master long-horizon manipulation tasks based on multimodal goals. The vast majority of imitation learning methods only learn from individual goal modalities, e.g. either language or goal images. However, existing large-scale imitation learning datasets are only partially labeled with language annotations, which prohibits current methods from learning language conditioned behavior from these datasets. MDT addresses this challenge by introducing a latent goal-conditioned state representation that is simultaneously trained on multimodal goal instructions. This state representation aligns image and language based goal embeddings and encodes sufficient information to predict future states. The representation is trained via two self-supervised auxiliary objectives, enhancing the performance of the presented transformer backbone. MDT shows exceptional performance on 164 tasks provided by the challenging CALVIN and LIBERO benchmarks, including a LIBERO version that contains less than 2% language annotations. Furthermore, MDT establishes a new record on the CALVIN manipulation challenge, demonstrating an absolute performance improvement of 15% over prior state-of-the-art methods that require large-scale pretraining and contain 10times more learnable parameters. MDT shows its ability to solve long-horizon manipulation from sparsely annotated data in both simulated and real-world environments. Demonstrations and Code are available at https://intuitive-robots.github.io/mdt_policy/.

  • 4 authors
·
Jul 8, 2024

RAM++: Robust Representation Learning via Adaptive Mask for All-in-One Image Restoration

This work presents Robust Representation Learning via Adaptive Mask (RAM++), a two-stage framework for all-in-one image restoration. RAM++ integrates high-level semantic understanding with low-level texture generation to achieve content-oriented robust restoration. It addresses the limitations of existing degradation-oriented methods in extreme scenarios (e.g., degradations strongly coupled with image structures). RAM++ also mitigates common challenges such as unbalanced performance across tasks, overfitting to seen degradations, and weak generalization to unseen ones through three key designs: 1) Adaptive Semantic-Aware Mask (AdaSAM): a pretraining strategy that applies pixel-level masks to semantically rich and textured regions. This design enables the network to learn both generative priors and image content priors from various degradations. 2) Mask Attribute Conductance (MAC): a selective fine-tuning strategy that adjusts the layers with higher contributions to bridge the integrity gap between masked pretraining and full-image fine-tuning while retaining learned priors. 3) Robust Feature Regularization (RFR): a strategy that leverages DINOv2's semantically consistent and degradation-invariant representations, together with efficient feature fusion, to achieve faithful and semantically coherent restoration. With these designs, RAM++ achieves robust, well-balanced, and state-of-the-art performance across seen, unseen, extreme, and mixed degradations. Our code and model will be released at https://github.com/DragonisCV/RAM

  • 7 authors
·
Sep 15

Cross-D Conv: Cross-Dimensional Transferable Knowledge Base via Fourier Shifting Operation

In biomedical imaging analysis, the dichotomy between 2D and 3D data presents a significant challenge. While 3D volumes offer superior real-world applicability, they are less available for each modality and not easy to train in large scale, whereas 2D samples are abundant but less comprehensive. This paper introduces the Cross-D Conv operation, a novel approach that bridges the dimensional gap by learning the phase shifting in the Fourier domain. Our method enables seamless weight transfer between 2D and 3D convolution operations, effectively facilitating cross-dimensional learning. The proposed architecture leverages the abundance of 2D training data to enhance 3D model performance, offering a practical solution to the multimodal data scarcity challenge in 3D medical model pretraining. Experimental validation on the RadImagenet (2D) and multimodal (3D) sets demonstrates that our approach achieves comparable or superior performance in feature quality assessment comparable to conventional methods. The enhanced convolution operation presents new opportunities for developing efficient classification and segmentation models in medical imaging. This work represents an advancement in cross-dimensional and multi-modal medical image analysis, offering a robust framework for utilizing 2D priors in 3D model pretraining or vice versa while maintaining computational efficiency.

  • 2 authors
·
Nov 2, 2024

Unleashing the Potential of the Diffusion Model in Few-shot Semantic Segmentation

The Diffusion Model has not only garnered noteworthy achievements in the realm of image generation but has also demonstrated its potential as an effective pretraining method utilizing unlabeled data. Drawing from the extensive potential unveiled by the Diffusion Model in both semantic correspondence and open vocabulary segmentation, our work initiates an investigation into employing the Latent Diffusion Model for Few-shot Semantic Segmentation. Recently, inspired by the in-context learning ability of large language models, Few-shot Semantic Segmentation has evolved into In-context Segmentation tasks, morphing into a crucial element in assessing generalist segmentation models. In this context, we concentrate on Few-shot Semantic Segmentation, establishing a solid foundation for the future development of a Diffusion-based generalist model for segmentation. Our initial focus lies in understanding how to facilitate interaction between the query image and the support image, resulting in the proposal of a KV fusion method within the self-attention framework. Subsequently, we delve deeper into optimizing the infusion of information from the support mask and simultaneously re-evaluating how to provide reasonable supervision from the query mask. Based on our analysis, we establish a simple and effective framework named DiffewS, maximally retaining the original Latent Diffusion Model's generative framework and effectively utilizing the pre-training prior. Experimental results demonstrate that our method significantly outperforms the previous SOTA models in multiple settings.

  • 8 authors
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Oct 3, 2024