Machine learning interatomic potentials (MLIPs) have become a hallmark of AI for scientific simulation. While efforts on new architectures and datasets have led to increasingly accurate and general models, the choice of optimizer for training has largely remained unexplored, defaulting to Adam and its variants in the community.
arXiv:2607. 20548v1 Announce Type: cross Abstract: Higher-order optimizers such as Muon and SOAP offer faster convergence than AdamW, but their computational cost and numerical stability challenges have limited adoption at scale.
By Mikail Khona, Aditya Vavre, Boxiang Wang, Deyu Fu, Hao Wu, Mike Chrzanowski, Bryan Catanzaro, Dheevatsa Mudigere, Jeff Pool, Michael Lightstone, Mohammad Shoeybi, Mostofa Patwary, Nima Tajbakhsh, Tijmen Blankevoort
The article surveys recent neural‑network optimizers, noting that the field has moved beyond simple Adam variants to encompass matrix‑ and layer‑level designs, time‑policy horizons, and state representations that survive sharding and low‑precision computation. It categorizes optimizers along four axes—temporal estimation, update geometry, horizon management, and representation & systems—highlighting methods such as Muon, Shampoo, SOAP, and quantized states. The survey concludes that while matrix‑aware methods are a genuine advance, no single optimizer universally replaces AdamW, and performance depends on model scale, data‑to‑parameter ratio, batch size, schedule, partitioning, tuning budget, and target metric.
By Ruoran Xu
arXiv:2606. 27153v1 Announce Type: cross Abstract: Matrix-orthogonalization-based optimizers, exemplified by Muon, have demonstrated strong convergence behavior across a wide range of modern deep learning workloads.
By Vincent Chen, Starrick Liu, Regis Cheng, Dance Yang, Shalfun Li, Ryan Yu, Lucy Liang, Hang Su, Roy Gan, Hao Wang, Qian Wang
MONA is a new optimizer that extends the Muon optimizer by adding a Nesterov‑style acceleration term derived from an exponential moving average of gradient differences. The paper provides a convergence analysis showing that this term offers curvature‑aware corrections while maintaining Muon’s spectral‑norm regularization. Empirical results demonstrate that MONA outperforms both Muon and AdamW on Mixture‑of‑Experts pretraining across models ranging from 1 B to 68 B parameters, and achieves state‑of‑the‑art performance on downstream benchmarks after fine‑tuning the largest model.
By Jiacheng Li, Jianchao Tan, Hongtao Xu, Jiaqi Zhang, Yifan Lu, Yerui Sun, Yuchen Xie, Xunliang Cai
arXiv:2607. 06772v1 Announce Type: new Abstract: Learned optimization aims to improve upon hand-designed optimizers (e.
By Xiaolong Huang, Benjamin Th\'erien, James Harrison, Eugene Belilovsky