aiqbench analysis
This research identifies a specific gradient rank mismatch in equivariant linear layers where standard Adam optimizers fail to respect irrep boundaries, leading to uneven spectral step sizes. By implementing block-wise normalization, the study demonstrates that Adam can become competitive with matrix-structured optimizers like Muon without requiring new hyperparameters. This finding clarifies the theoretical advantages of recent optimizers and offers a practical tuning strategy for training equivariant models in scientific machine learning.
Equivariance Breaks the Learning Rate
arXiv:2609.08381v1 Announce Type: new Abstract: Equivariant networks are commonly trained with Adam, yet recent work reports that matrix-structured optimizers such as Muon can perform better on these architectures without explaining why. We identify one source of this difference inside equivariant linear layers. Each irrep block learns a channel-mixing matrix $W_l$ shared across its $2l+1$ components, giving the expanded map $W_l \otimes I_{2l+1}$. For a single application of the layer, the gradient of $W_l$ sums $2l+1$ outer product contributions and has rank at most $2l+1$. Adam rescales stored weights individually without using the irrep boundaries, so one learning rate can produce different spectral step sizes across blocks within a layer. We address this mismatch by normalizing each block update separately, without introducing a new hyperparameter. This changes only the scale of the update, leaving Adam's moment estimates and its direction within each block unchanged. We evaluate the mechanism in a controlled $\mathrm{SO}(3)$-equivariant model with a matched dense control and in an e3nn interatomic potential model trained on rMD17 and MD22. The toy setup isolates a mismatch that grows with width while the dense control shows no corresponding growth. In the interatomic potential model, block normalization and tuning Adam's momentum coefficients independently improve performance, but neither alone matches Muon. Combined, they make Adam competitive with Muon on all datasets, indicating that blockwise step control and momentum accumulation account for much of Muon's advantage.
Abstract:Equivariant networks are commonly trained with Adam, yet recent work reports that matrix-structured optimizers such as Muon can perform better on these architectures without explaining why. We identify one source of this difference inside equivariant linear layers. Each irrep block learns a channel-mixing matrix $W_l$ shared across its $2l+1$ components, giving the expanded map $W_l \otimes I_{2l+1}$. For a single application of the layer, the gradient of $W_l$ sums $2l+1$ outer product contributions and has rank at most $2l+1$. Adam rescales stored weights individually without using the irrep boundaries, so one learning rate can produce different spectral step sizes across blocks within a layer. We address this mismatch by normalizing each block update separately, without introducing a new hyperparameter. This changes only the scale of the update, leaving Adam's moment estimates and its direction within each block unchanged. We evaluate the mechanism in a controlled $\mathrm{SO}(3)$-equivariant model with a matched dense control and in an e3nn interatomic potential model trained on rMD17 and MD22. The toy setup isolates a mismatch that grows with width while the dense control shows no corresponding growth. In the interatomic potential model, block normalization and tuning Adam's momentum coefficients independently improve performance, but neither alone matches Muon. Combined, they make Adam competitive with Muon on all datasets, indicating that blockwise step control and momentum accumulation account for much of Muon's advantage.
Machine Learning (cs.LG); Artificial Intelligence (cs.AI)
arXiv:2609.08381 [cs.LG]
(or arXiv:2609.08381v1 [cs.LG] for this version)
https://doi.org/10.48550/arXiv.2609.08381 Focus to learn more arXiv-issued DOI via DataCite (pending registration)
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Full text under the publisher's open licence · 323 words
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