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
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
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
Learned optimization aims to improve upon hand-designed optimizers (e. g.
arXiv:2603. 00742v2 Announce Type: replace Abstract: While Adam has long been the ubiquitous default optimizer for deep neural networks, Muon has recently seen rapid adoption due to its superior training speed.
By Sara Dragutinovi\'c, Yedi Zhang, Rajesh Ranganath