揭示预训练后表示维度如何影响下游泛化,给出最优压缩策略。
Optimal Representation Size: High-Dimensional Analysis of Pretraining and Linear Probing

- 用主成分分析建模预训练,线性回归模拟下游任务。
- 数据少时压缩表示更优,数据多时高维表示表现更好。
- 首次量化预训练与标注数据的等价关系,适合模型优化研究者。
从有限数据中学习泛化是人工和生物系统的核心挑战。常用策略是从大量无标签数据中提取可复用结构,从而高效适应新任务。现代训练流程采用两阶段范式:先预训练,再微调或线性探测。本文建立解析模型:无标签数据上的结构提取为主成分分析,下游学习为独立标签数据上的线性回归。在高维情况下,推导出训练误差与泛化误差的精确表达式,揭示其对表示维度、无标签与有标签样本量及任务对齐度的依赖关系。结果表明,预训练表示强烈影响下游泛化性能,并刻画了最优表示维度随任务参数的变化规律:预训练数据充足但下游数据稀缺时,极致压缩表示最优;而预训练数据有限时,更高维表示泛化更佳。此外,我们建立了预训练与监督之间的精确权衡关系,量化了需多少无标签数据可替代一个标签样本。在自编码器和预训练大模型中观察到相似现象。总体而言,优化表示维度至关重要,明确了压缩提升泛化的条件。
原文摘要 · Abstract (English)
Learning to generalise from limited data is a fundamental challenge for both artificial and biological systems. A common strategy is to extract reusable structure from abundant unlabelled data, enabling efficient adaptation to new tasks from limited labelled data. This two-stage paradigm is now standard in modern training pipelines, where pretraining is followed by fine-tuning or linear probing. We provide an analytical model of this process: structure extraction is formalized as principal component analysis on unlabelled data, and downstream learning as linear regression on a separate labelled dataset. In the high-dimensional regime, we derive exact expressions for training and generalisation error showcasing their dependence on representation dimensionality, unlabelled and labelled sample sizes, and task alignment. Our results show that pretrained representations strongly influence downstream generalisation, and we characterize the optimal representation size as a function of task parameters: with abundant pretraining data but scarce downstream data, maximally compressed representations are optimal, whereas with limited pretraining data, higher-dimensional representations generalise better. Furthermore, we establish an exact trade-off between pretraining and supervision, quantifying how much unlabelled data is required to replace a single labelled sample. Beyond our idealised model, we observe similar phenomenology in autoencoders and pretrained LLMs. Altogether, we highlight that optimising representation size is critical, giving conditions for when compression during pretraining improves generalisation.
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