arXiv:2502.06885cs.LGcs.AI2025-02被引 5

用拓扑导数自动决定何时何处加层并初始化,提升模型性能。

Topological derivative approach for deep neural network architecture adaptation

  • 基于形状泛函和拓扑导数,数学推导出最优加层位置。
  • 在多个任务上优于手动设计与现有自适应方法,提升准确率。
  • 适合需要动态调优网络结构的研究者,尤其关注架构优化者。

本文提出一种新颖的算法,用于在训练过程中逐步调整神经网络的深度结构。核心问题包括:何时添加新层?如何初始化新层?方法基于两个关键要素:一是定义依赖于网络拓扑的“形状泛函”以最小化;二是引入形状泛函对网络拓扑的拓扑导数。通过最优控制视角,证明了拓扑导数的存在性,并推导出其闭式表达。首次揭示了拓扑优化中的拓扑导数与最优控制中的哈密顿量之间的联系。进一步表明,形状泛函的最优性条件可转化为一个特征值问题,从而确定训练过程中最敏感的加层位置及对应参数初始化。此外,该层插入策略可从最优传输视角解释为在 $p$-Wasserstein 空间中最大化拓扑导数的解($p \geq 1$)。在全连接网络、卷积神经网络与视觉变压器上,针对多种回归与分类任务的数值实验表明,本方法显著优于启发式基线网络及其他架构自适应策略。同时,还展示了拓扑导数在迁移学习等领域的其他应用。

原文摘要 · Abstract (English)

This work presents a novel algorithm for progressively adapting neural network architecture along the depth. In particular, we attempt to address the following questions in a mathematically principled way: i) Where to add a new capacity (layer) during the training process? ii) How to initialize the new capacity? At the heart of our approach are two key ingredients: i) the introduction of a ``shape functional" to be minimized, which depends on neural network topology, and ii) the introduction of a topological derivative of the shape functional with respect to the neural network topology. Using an optimal control viewpoint, we show that the network topological derivative exists under certain conditions, and its closed-form expression is derived. In particular, we explore, for the first time, the connection between the topological derivative from a topology optimization framework with the Hamiltonian from optimal control theory. Further, we show that the optimality condition for the shape functional leads to an eigenvalue problem for deep neural architecture adaptation. Our approach thus determines the most sensitive location along the depth where a new layer needs to be inserted during the training phase and the associated parametric initialization for the newly added layer. We also demonstrate that our layer insertion strategy can be derived from an optimal transport viewpoint as a solution to maximizing a topological derivative in $p$-Wasserstein space, where $p>= 1$. Numerical investigations with fully connected network, convolutional neural network, and vision transformer on various regression and classification problems demonstrate that our proposed approach can outperform an ad-hoc baseline network and other architecture adaptation strategies. Further, we also demonstrate other applications of topological derivative in fields such as transfer learning.

神经网络架构优化拓扑导数自适应

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