让自编码器学会对称性,更好解释神经网络在对称数据上的行为。
Equivariant Sparse Autoencoders: Mechanistic Interpretability of Neural Networks on Symmetric Data
- 引入对称性约束的稀疏自编码器,解决传统方法在旋转等对称数据上的歧义问题。
- 新方法发现的特征更利于下游任务,尽管重建效果稍差。
- 适用于科学计算中具有对称性的数据,如分子、晶体结构建模。
机器学习模型性能卓越但难以解释,因其激活值将多种概念压缩到低维空间(即超叠加现象)。机制可解释性方法如稀疏自编码器(SAEs)可将密集激活解耦为稀疏可解释特征的和,但现有SAE存在不可识别性:多个解释可能同样拟合数据,却未必更可解释或忠实于原模型。我们发现,科学领域常见的旋转等数据对称性会加剧此问题。本文扩展线性表示假设理论以纳入对称性,在合成及真实科学数据集与模型上验证,所提出的等变稀疏自编码器(Equivariant SAEs)能(1)避免传统SAE在对称数据中的陷阱,(2)发现更具下游任务价值的特征,即便重建质量更差。结果表明,在对称性下,重建精度与特征实用性可能呈负相关,警示不应将重建质量作为可解释性的主要衡量标准。代码已开源。
原文摘要 · Abstract (English)
Machine learning (ML) models achieve remarkable performance but remain hard to interpret due to their scale and complexity. In particular, their activations entangle many concepts into fewer dimensions, a phenomenon known as superposition. Mechanistic interpretability methods such as sparse autoencoders (SAEs) can disentangle these dense activations into sparse sums of interpretable features, but SAEs suffer from unidentifiability: different explanations can fit the data equally well without necessarily being more interpretable or faithful to the underlying model. We show that this problem is exacerbated by data symmetries such as rotations that are prevalent in scientific domains. We extend the Linear Representation Hypothesis, the theory behind SAEs, to account for symmetries and show on synthetic as well as real-world scientific datasets and models that the resulting Equivariant SAEs can (1) avoid the pitfalls of existing SAEs on symmetric data and (2) discover features more useful for downstream tasks despite worse reconstructions. Our results show that incorporating the correct priors in SAEs can significantly improve their usefulness while highlighting that reconstruction quality can be inversely correlated with feature usefulness under symmetries, cautioning against its use as a key measure of interpretability. Code: https://github.com/ege-erdogan/equivariant-sae
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