arXiv:2503.23982cond-mat.dis-nncond-mat.stat-mech2025-03

将随机初始化的神经网络看作输入空间的哈密顿量,研究其能量景观结构。

Deep Neural Nets as Hamiltonians

  • 把随机初始化的MLP视为输入空间的哈密顿量,分析其能量景观。
  • 在无限宽极限下,发现不同激活函数导致不同对称性破缺行为。
  • 适用于理解神经网络泛化能力与优化复杂性的理论研究者。

神经网络是输入和参数的复杂函数。以往工作通常分析固定输入下网络输出在随机参数初始化时的分布。本文反其道而行之:将随机初始化的多层感知机(MLP)视为输入空间的哈密顿量。针对典型参数实现,研究由此诱导的能量景观性质,重点关注无限宽极限下的近全局最小结构。利用副本技巧进行精确解析计算,得到给定能量下的熵(空间对数体积)。进一步推导出描述由随机MLP诱导的吉布斯分布中输入重叠的鞍点方程。对于线性激活,精确求解了这些方程;对多种深度和激活函数(如 $ anh, ext{ReLU}, ext{sin}$ 及形状化非线性)也进行了数值求解。结果表明,即使在无限宽极限下,系统仍表现出丰富多样的行为:某些非线性(如 $ ext{sin}$)导致完全副本对称性破缺,而浅层 $ anh$、ReLU 或深层形状化MLP则保持副本对称。

原文摘要 · Abstract (English)

Neural networks are complex functions of both their inputs and parameters. Much prior work in deep learning theory analyzes the distribution of network outputs at a fixed a set of inputs (e.g. a training dataset) over random initializations of the network parameters. The purpose of this article is to consider the opposite situation: we view a randomly initialized Multi-Layer Perceptron (MLP) as a Hamiltonian over its inputs. For typical realizations of the network parameters, we study the properties of the energy landscape induced by this Hamiltonian, focusing on the structure of near-global minimum in the limit of infinite width. Specifically, we use the replica trick to perform an exact analytic calculation giving the entropy (log volume of space) at a given energy. We further derive saddle point equations that describe the overlaps between inputs sampled iid from the Gibbs distribution induced by the random MLP. For linear activations we solve these saddle point equations exactly. But we also solve them numerically for a variety of depths and activation functions, including $\tanh, \sin, \text{ReLU}$, and shaped non-linearities. We find even at infinite width a rich range of behaviors. For some non-linearities, such as $\sin$, for instance, we find that the landscapes of random MLPs exhibit full replica symmetry breaking, while shallow $\tanh$ and ReLU networks or deep shaped MLPs are instead replica symmetric.

神经网络哈密顿量能量景观副本对称性

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