Saddle-to-Saddle Dynamics Explains A Simplicity Bias Across Neural Network Architectures

ML NNGTB NN POA Transformer CNN Other ML
使用梯度下降训练的神经网络通常会随着时间推移学习到复杂性逐渐增加的解,这种现象被称为“简单性偏好”(simplicity bias)。尽管这一现象在各种网络架构中广泛存在,现有的理论分析却缺乏统一的框架。本文提出一个理论框架,用于解释一大类神经网络(包括全连接网络、卷积网络和基于注意力机制的网络)中由“鞍点到鞍点”学习动力学所导致的简单性偏好。此处,“简单”指的是可以用较少的隐含单元来表达的解,即较少的隐含神经元、卷积核或注意力头。具体而言,我们证明:线性网络学习的解其秩逐步增加,ReLU网络学习的解其“拐点”数量逐步增加,卷积网络学习的解使用的卷积核数量逐步增加,而自注意力模型学习的解则使用越来越多的注意力头。通过分析梯度下降学习过程中的不动点、不变流形及其动力学行为,我们发现这种鞍点到鞍点的动力学机制是通过反复地在某个不变流形附近演化,逐渐接近一个鞍点,然后切换到另一个新的不变流形而实现的。我们的分析还阐明了数据分布和权重初始化对学习过程中平台期持续时间和出现次数的影响,从而将以往混淆的因素区分开来。总体而言,本理论为理解梯度下降在何种条件下以及为何会逐步学习出越来越复杂的解提供了统一的框架。
Neural networks trained with gradient descent often learn solutions of increasing complexity over time, a phenomenon known as simplicity bias. Despite being widely observed across architectures, existing theoretical treatments lack a unifying framework. We present a theoretical framework that explains a simplicity bias arising from saddle-to-saddle learning dynamics for a general class of neural networks, incorporating fully-connected, convolutional, and attention-based architectures. Here, simple means expressible with few hidden units, i.e., hidden neurons, convolutional kernels, or attention heads. Specifically, we show that linear networks learn solutions of increasing rank, ReLU networks learn solutions with an increasing number of kinks, convolutional networks learn solutions with an increasing number of convolutional kernels, and self-attention models learn solutions with an increasing number of attention heads. By analyzing fixed points, invariant manifolds, and dynamics of gradient descent learning, we show that saddle-to-saddle dynamics operates by iteratively evolving near an invariant manifold, approaching a saddle, and switching to another invariant manifold. Our analysis also illuminates the effects of data distribution and weight initialization on the duration and number of plateaus in learning, dissociating previously confounding factors. Overall, our theory offers a framework for understanding when and why gradient descent progressively learns increasingly complex solutions.
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