Pre-training datasets are typically collected from web content and lack inherent domain divisions. For instance, widely used datasets like Common Crawl do not include explicit domain labels, while manually curating labeled datasets such as The Pile is labor-intensive. Consequently, identifying an optimal pre-training data mixture remains a challenging problem, despite its significant benefits for pre-training performance. To address these challenges, we propose CLustering-based Iterative Data Mixture Bootstrapping (Nemotron-CLIMB), an automated framework that discovers, evaluates, and refines data mixtures in a pre-training setting. Specifically, Nemotron-CLIMB embeds and clusters large-scale datasets in a semantic space and then iteratively searches for optimal mixtures using a smaller proxy model and a predictor. When continuously trained on 400B tokens with this mixture, our 1B model exceeds the state-of-the-art Llama-3.2-1B by 2.0%. Moreover, we observe that optimizing for a specific domain (e.g., Social Sciences) yields a 5% improvement over random sampling. Finally, we introduce Nemotron-ClimbLab, a filtered 1.2-trillion-token corpus with 20 clusters as a research playground, and Nemotron-ClimbMix, a compact yet powerful 400-billion-token dataset designed for efficient pre-training that delivers superior performance under an equal token budget. We analyze the final data mixture, elucidating the characteristics of an optimal data mixture. Our data is available at: https://research.nvidia.com/labs/lpr/climb/

Training data plays a crucial role in Large Language Models (LLM) scaling, yet high quality data is of limited supply. Synthetic data techniques offer a potential path toward sidestepping these limitations. We conduct a large-scale empirical investigation (>1000 LLMs with >100k GPU hours) using a unified protocol and scaling laws, comparing natural web data, diverse synthetic types (rephrased text, generated textbooks), and mixtures of natural and synthetic data. Specifically, we found pre-training on rephrased synthetic data \textit{alone} is not faster than pre-training on natural web texts; while pre-training on 1/3 rephrased synthetic data mixed with 2/3 natural web texts can speed up 5-10x (to reach the same validation loss) at larger data budgets. Pre-training on textbook-style synthetic data \textit{alone} results in notably higher loss on many downstream domains especially at small data budgets. "Good" ratios of synthetic data in training data mixtures depend on the model size and data budget, empirically converging to ~30% for rephrased synthetic data. Larger generator models do not necessarily yield better pre-training data than ~8B-param models. These results contribute mixed evidence on "model collapse" during large-scale single-round (n=1) model training on synthetic data--training on rephrased synthetic data shows no degradation in performance in foreseeable scales whereas training on mixtures of textbook-style pure-generated synthetic data shows patterns predicted by "model collapse". Our work demystifies synthetic data in pre-training, validates its conditional benefits, and offers practical guidance.

The data mixture used in the pre-training of a language model is a cornerstone of its final performance. However, a static mixing strategy is suboptimal, as the model's learning preferences for various data domains shift dynamically throughout training. Crucially, observing these evolving preferences in a computationally efficient manner remains a significant challenge. To address this, we propose TiKMiX, a method that dynamically adjusts the data mixture according to the model's evolving preferences. TiKMiX introduces Group Influence, an efficient metric for evaluating the impact of data domains on the model. This metric enables the formulation of the data mixing problem as a search for an optimal, influence-maximizing distribution. We solve this via two approaches: TiKMiX-D for direct optimization, and TiKMiX-M, which uses a regression model to predict a superior mixture. We trained models with different numbers of parameters, on up to 1 trillion tokens. TiKMiX-D exceeds the performance of state-of-the-art methods like REGMIX while using just 20% of the computational resources. TiKMiX-M leads to an average performance gain of 2% across 9 downstream benchmarks. Our experiments reveal that a model's data preferences evolve with training progress and scale, and we demonstrate that dynamically adjusting the data mixture based on Group Influence, a direct measure of these preferences, significantly improves performance by mitigating the underdigestion of data seen with static ratios.

Vision-language models encode images and text in a joint space, minimizing the distance between corresponding image and text pairs. How are language and images organized in this joint space, and how do the models encode meaning and modality? To investigate this, we train and release sparse autoencoders (SAEs) on the embedding spaces of four vision-language models (CLIP, SigLIP, SigLIP2, and AIMv2). SAEs approximate model embeddings as sparse linear combinations of learned directions, or "concepts". We find that, compared to other methods of linear feature learning, SAEs are better at reconstructing the real embeddings, while also able to retain the most sparsity. Retraining SAEs with different seeds or different data diet leads to two findings: the rare, specific concepts captured by the SAEs are liable to change drastically, but we also show that commonly-activating concepts are remarkably stable across runs. Interestingly, while most concepts activate primarily for one modality, we find they are not merely encoding modality per se. Many are almost orthogonal to the subspace that defines modality, and the concept directions do not function as good modality classifiers, suggesting that they encode cross-modal semantics. To quantify this bridging behavior, we introduce the Bridge Score, a metric that identifies concept pairs which are both co-activated across aligned image-text inputs and geometrically aligned in the shared space. This reveals that even single-modality concepts can collaborate to support cross-modal integration. We release interactive demos of the SAEs for all models, allowing researchers to explore the organization of the concept spaces. Overall, our findings uncover a sparse linear structure within VLM embedding spaces that is shaped by modality, yet stitched together through latent bridges, offering new insight into how multimodal meaning is constructed.

Optimizing data mixtures for supervised fine-tuning (SFT) of large language models (LLMs) is critical for developing general-purpose models, yet this area remains underexplored. In this paper, we frame data mixing as an optimization problem and introduce a novel method designed to minimize validation loss. Our approach parametrizes the loss by modeling effective data transferred and leveraging scaling laws for fine-tuning. By experimenting with various small-scale data mixtures, we fit these parameters and derive the optimal weights. We provide both mathematical proofs and empirical results demonstrating that our algorithm achieves excellent overall and individual performance across all domains. Through controlled experiments, we show that models trained with our optimized weights perform on par with those using optimal weights determined via grid search, with per-domain loss only 0.66% higher than the best domain loss from grid search on average. Additionally, we show that reweighting popular SFT datasets using our method improves both validation loss and downstream performance. Finally, we discuss how our method can generalize to guide data selection for domain-specific models and provide insights into SFT.

Determining the optimal data mixture for large language model training remains a challenging problem with an outsized impact on performance. In practice, language model developers continue to rely on heuristic exploration since no learning-based approach has emerged as a reliable solution. In this work, we propose to view the selection of training data mixtures as a black-box hyperparameter optimization problem, for which Bayesian Optimization is a well-established class of appropriate algorithms. Firstly, we cast data mixture learning as a sequential decision-making problem, in which we aim to find a suitable trade-off between the computational cost of training exploratory (proxy-) models and final mixture performance. Secondly, we systematically explore the properties of transferring mixtures learned at a small scale to larger-scale experiments, providing insights and highlighting opportunities for research at a modest scale. By proposing Multi-fidelity Bayesian Optimization as a suitable method in this common scenario, we introduce a natural framework to balance experiment cost with model fit, avoiding the risks of overfitting to smaller scales while minimizing the number of experiments at high cost. We present results for pre-training and instruction finetuning across models ranging from 1 million to 7 billion parameters, varying from simple architectures to state-of-the-art models and benchmarks spanning dozens of datasets. We demonstrate consistently strong results relative to a wide range of baselines, resulting inspeed-ups of over 500% in determining the best data mixture on our largest experiments. In addition, we broaden access to research by sharing ADMIRE IFT Runs, a dataset of 460 full training & evaluation runs worth over 13,000 GPU hours, greatly reducing the cost of conducting research in this area.

We visualize samples of the class "broom" from the reference We find that the data efficiency (i.e., how fast the error The two models' logit predictions are ensembled with equal weights Output mixing results for two CLIP models trained on YFCC-3M + CC-3M mixture and RedCaps-3M respectively . Ensemble outputs of CLIPs trained on different data sources and dataset sizes (red and orange lines), taken from the same stage of training (i.e., epoch), lie on the linear trend of training a We provide proofs of main theoretical claims in Section 6. F .1 Proof of Theorem 1

In language model training, it is desirable to equip models with capabilities from various tasks. However, it is not clear how to directly obtain the right data mixtures for these capabilities as the relationship between data and tasks is difficult to be modeled. In this work, we observe that checkpoint models exhibit emerging capabilities at different points in the training trajectory. Often, the training process saves checkpoints as artifacts that are under-utilized as a source of in-training data signals. We identify these artifact models based on their respective capabilities on the benchmarks and leverage them as data mixers by using their aggregated first-order influence approximation over source data. We demonstrated on eight reasoning benchmarks that the proposed framework shows significant improvements in the pretraining setting, with performance improvements of up to 1.93%. Overall, this shows the potential of checkpoint models to enhance data quality and optimize data mixtures.

We introduce a framework for optimizing domain-specific dataset construction in foundation model training. Specifically, we seek a cost-efficient way to estimate the quality of data sources (e.g. synthetically generated or filtered web data, etc.) in order to make optimal decisions about resource allocation for data sourcing from these sources for the stage two pre-training phase, aka annealing, with the goal of specializing a generalist pre-trained model to specific domains. Our approach extends the usual point estimate approaches, aka micro-annealing, to estimating scaling laws by performing multiple annealing runs of varying compute spent on data curation and training. This addresses a key limitation in prior work, where reliance on point estimates for data scaling decisions can be misleading due to the lack of rank invariance across compute scales -- a phenomenon we confirm in our experiments. By systematically analyzing performance gains relative to acquisition costs, we find that scaling curves can be estimated for different data sources. Such scaling laws can inform cost effective resource allocation across different data acquisition methods (e.g. synthetic data), data sources (e.g. user or web data) and available compute resources. We validate our approach through experiments on a pre-trained model with 7 billion parameters. We adapt it to: a domain well-represented in the pre-training data -- the medical domain, and a domain underrepresented in the pretraining corpora -- the math domain. We show that one can efficiently estimate the scaling behaviors of a data source by running multiple annealing runs, which can lead to different conclusions, had one used point estimates using the usual micro-annealing technique instead. This enables data-driven decision-making for selecting and optimizing data sources.

We introduce~\textsc{Domain2Vec}, a novel approach that decomposes any dataset into a linear combination of several \emph{meta-domains}, a new concept designed to capture the key underlying features of datasets. \textsc{Domain2Vec} maintains a vocabulary of meta-domains and uses a classifier to decompose any given dataset into a domain vector that corresponds to a distribution over this vocabulary. These domain vectors enable the identification of the optimal data mixture for language model (LM) pretraining in a training-free manner under the \emph{\textbf{D}istribution \textbf{A}lignment \textbf{A}ssumption} (DA$^{2}$), which suggests that when the data distributions of the training set and the validation set are better aligned, a lower validation loss is achieved. Moreover, \textsc{Domain2vec} can be seamlessly integrated into previous works to model the relationship between domain vectors and LM performance, greatly enhancing the efficiency and scalability of previous methods. Extensive experiments demonstrate that \textsc{Domain2Vec} helps find the data mixture that enhances downstream task performance with minimal computational overhead. Specifically, \textsc{Domain2Vec} achieves the same validation loss on Pile-CC using only $51.5\%$ of the computation required when training on the original mixture of The Pile dataset. Under equivalent compute budget, \textsc{Domain2Vec} improves downstream performance by an average of $2.83\%$.