Data Optimization for LLMs: A Survey

Data is fundamental to large language models (LLMs). However, understanding of what makes certain data useful for different stages of an LLM workflow, including training, tuning, alignment, in-context learning, etc., and why, remains an open question. Current approaches rely heavily on extensive experimentation with large public datasets to obtain empirical heuristics for data filtering and dataset construction. These approaches are compute intensive and lack a principled way of understanding the essence of how specific data characteristics drive LLM behavior. In this position paper, we advocate for the need of developing systematic methodologies for generating synthetic sequences from appropriately defined random processes, with the goal that these sequences can reveal useful characteristics when they are used in one or multiple stages of the LLM workflow. We refer to such sequences as data probes. By observing LLM behavior on data probes, researchers can systematically conduct studies on how data characteristics influence model performance, generalization, and robustness. The probing sequences exhibit statistical properties that can be viewed using theoretical concepts, such as typical sets, which are generalized to describe the behaviors of LLMs. This data-probe approach provides a pathway for uncovering foundational insights into the role of data in LLM training and inference, beyond empirical heuristics.

Large language models (LLMs) have demonstrated remarkable performance across a wide range of tasks and domains, with data playing a central role in enabling these advances. Despite this success, the preparation and effective utilization of the massive datasets required for LLM training remain major bottlenecks. In current practice, LLM training data is often constructed using ad hoc scripts, and there is still a lack of mature, agent-based data preparation systems that can automatically construct robust and reusable data workflows, thereby freeing data scientists from repetitive and error-prone engineering efforts. Moreover, once collected, datasets are often consumed largely in their entirety during training, without systematic mechanisms for data selection, mixture optimization, or reweighting. To address these limitations, we advocate two complementary research directions. First, we propose building a robust, agent-based automatic data preparation system that supports automated workflow construction and scalable data management. Second, we argue for a unified data-model interaction training system in which data is dynamically selected, mixed, and reweighted throughout the training process, enabling more efficient, adaptive, and performance-aware data utilization. Finally, we discuss the remaining challenges and outline promising directions for future research and system development.

Large language models (LLMs) rely on pretraining on massive and heterogeneous corpora, where training data composition has a decisive impact on training efficiency and downstream generalization under realistic compute and data budget constraints. Unlike sample-level data selection, data mixing optimizes domain-level sampling weights to allocate limited budgets more effectively. In recent years, a growing body of work has proposed principled data mixing methods for LLM pretraining; however, the literature remains fragmented and lacks a dedicated, systematic survey. This paper provides a comprehensive review of data mixing for LLM pretraining. We first formalize data mixture optimization as a bilevel problem on the probability simplex and clarify the role of data mixing in the pretraining pipeline, and briefly explain how existing methods make this formulation tractable in practice. We then introduce a fine-grained taxonomy that organizes existing methods along two dimensions: static versus dynamic mixing. Static mixing is further categorized into rule-based and learning-based methods, while dynamic mixing is grouped into adaptive and externally guided families. For each class, we summarize representative approaches and analyze their strengths and limitations from a performance-cost trade-off perspective. Building on this analysis, we highlight challenges that cut across methods, including limited transferability across data domains, optimization objectives, models, and validation sets, as well as unstandardized evaluation protocols and benchmarks, and the inherent tension between performance gains and cost control in learning-based methods. Finally, we outline several exploratory directions, including finer-grained domain partitioning and inverse data mixing, as well as pipeline-aware designs, aiming to provide conceptual and methodological insights for future research.