Large foundation models are typically trained on data from multiple domains, with the data mixture-the proportion of each domain used-playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h.

Careful curation of data sources can significantly improve the performance of LLM pre-training, but predominant approaches rely heavily on intuition or costly trial-and-error, making them difficult to generalize across different data domains and downstream tasks. Although scaling laws can provide a principled and general approach for data curation, standard deterministic extrapolation from small-scale experiments to larger scales requires strong assumptions on the reliability of such extrapolation, whose brittleness has been highlighted in prior works. In this paper, we introduce a probabilistic extrapolation framework for data mixture optimization that avoids rigid assumptions and explicitly models the uncertainty in performance across decision variables. We formulate data curation as a sequential decisionmaking problem--multi-fidelity, multi-scale Bayesian optimization--where {data mixtures, model scale, training steps}are adaptively selected to balance training cost and potential information gain. Our framework naturally gives rise to algorithm prototypes that leverage noisy information from inexpensive experiments to systematically inform costly training decisions. To accelerate methodological progress, we build a simulator based on 472 language model pre-training runs with varying data compositions from the SlimPajama dataset. We observe that even simple kernels and acquisition functions can enable principled decisions across training models from 20M to 1B parameters and achieve 2.6x and 3.3x speedups compared to multi-fidelity Bayesian optimization and random search baselines. Taken together, our framework underscores potential efficiency gains achievable by developing principled and transferable data mixture optimization methods.

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 CLusteringbased 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. This strategy enables effective domain adaptation without relying solely on curated data. 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.

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.

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.

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.

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.