Neural Architecture Search (NAS) is a popular method for automatically designing optimized architectures for high-performance deep learning. In this approach, it is common to use bilevel optimization where one optimizes the model weights over the training data (lower-level problem) and various hyperparameters such as the configuration of the architecture over the validation data (upper-level problem). This paper explores the statistical aspects of such problems with train-validation splits. In practice, the lower-level problem is often overparameterized and can easily achieve zero loss. Thus, a-priori it seems impossible to distinguish the right hyperparameters based on training loss alone which motivates a better understanding of the role of train-validation split. To this aim this work establishes the following results. (1) We show that refined properties of the validation loss such as risk and hyper-gradients are indicative of those of the true test loss. This reveals that the upper-level problem helps select the most generalizable model and prevent overfitting with a near-minimal validation sample size. Importantly, this is established for continuous spaces -- which are highly relevant for popular differentiable search schemes. (2) We establish generalization bounds for NAS problems with an emphasis on an activation search problem. When optimized with gradient-descent, we show that the train-validation procedure returns the best (model, architecture) pair even if all architectures can perfectly fit the training data to achieve zero error. (3) Finally, we highlight rigorous connections between NAS, multiple kernel learning, and low-rank matrix learning. The latter leads to novel algorithmic insights where the solution of the upper problem can be accurately learned via efficient spectral methods to achieve near-minimal risk.

本文探讨了神经架构搜索中基于双层优化的训练-验证分割问题，通过研究验证的风险和超梯度等优化指标，该方法能有效选择最具普适性的模型，并避免过度拟合。同时，文章还建立了一般化界限，探讨了神经架构搜索和多核学习之间的联系。

神经架构搜索的泛化性保证与训练集-验证集分离