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. 02499v1 Announce Type: cross Abstract: Machine learning interatomic potentials (MLIPs) have become a hallmark of AI for scientific simulation.
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.
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.
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.
Learned optimization aims to improve upon hand-designed optimizers (e. g.
arXiv:2607. 06772v1 Announce Type: new Abstract: Learned optimization aims to improve upon hand-designed optimizers (e.
arXiv:2602. 00329v4 Announce Type: replace-cross Abstract: Reliable data attribution is essential for mitigating bias and reducing computational waste in modern machine learning, with the Shapley value serving as the theoretical gold standard.
arXiv:2507. 01598v5 Announce Type: replace Abstract: Muon, a recently proposed optimizer that leverages the inherent matrix structure of neural network parameters, has demonstrated strong empirical performance, indicating its potential as a successor to standard optimizers such as AdamW.
arXiv:2607. 13246v1 Announce Type: cross Abstract: Muon has recently emerged as a strong optimizer for large-scale deep learning, where it reshapes gradient updates through approximate orthogonalization and has been reported to outperform Adam and AdamW in large language model training.
arXiv:2606. 13894v1 Announce Type: cross Abstract: AdamW is a default optimizer for modern deep learning, but its first and second moment states add roughly two parameter-sized buffers to training memory.
arXiv:2606. 25971v1 Announce Type: new Abstract: Modern neural network training relies on optimizers such as Adam and Muon which act on each weight matrix as a single object.
arXiv:2606. 25975v1 Announce Type: new Abstract: Common first-order optimizers, such as Adam, implicitly treat each parameter block as an unstructured vector, which disregards the multilinear weight structure present in many modern machine learning models.