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Atomistic foundation models constitute a paradigm shift in computational materials science by providing universal machine-learned interatomic potentials with broad transferability across chemical spaces. Although fine-tuning is essential…

计算物理 · 物理学 2025-12-08 Xiaoqing Liu , Yangshuai Wang , Teng Zhao

Deep neural networks are traditionally trained using human-designed stochastic optimization algorithms, such as SGD and Adam. Recently, the approach of learning to optimize network parameters has emerged as a promising research topic.…

机器学习 · 计算机科学 2018-11-26 Shipeng Wang , Jian Sun , Zongben Xu

Despite the success of the Adam optimizer in practice, the theoretical understanding of its algorithmic components still remains limited. In particular, most existing analyses of Adam show the convergence rate that can be simply achieved by…

机器学习 · 计算机科学 2024-05-31 Kwangjun Ahn , Zhiyu Zhang , Yunbum Kook , Yan Dai

This paper proposes a new optimizer for deep learning, named d-AmsGrad. In the real-world data, noise and outliers cannot be excluded from dataset to be used for learning robot skills. This problem is especially striking for robots that…

机器学习 · 计算机科学 2021-04-02 Taisuke Kobayashi

We present a genetic algorithm framework for automatically discovering deep learning optimization algorithms. Our approach encodes optimizers as genomes that specify combinations of primitive update terms (gradient, momentum, RMS…

神经与进化计算 · 计算机科学 2025-12-16 Mitchell Marfinetz

AdamW has long been the dominant optimizer in language model pretraining, despite numerous claims that alternative optimizers offer 1.4 to 2x speedup. We posit that two methodological shortcomings have obscured fair comparisons and hindered…

机器学习 · 计算机科学 2025-09-08 Kaiyue Wen , David Hall , Tengyu Ma , Percy Liang

Solving a problem with a deep learning model requires researchers to optimize the loss function with a certain optimization method. The research community has developed more than a hundred different optimizers, yet there is scarce data on…

软件工程 · 计算机科学 2023-03-08 Dmitry Pasechnyuk , Anton Prazdnichnykh , Mikhail Evtikhiev , Timofey Bryksin

Reinforcement learning (RL), particularly RL from verifiable reward (RLVR), has become a crucial phase of training large language models (LLMs) and a key focus of current scaling efforts. However, optimization practices in RL largely follow…

机器学习 · 计算机科学 2026-02-25 Sagnik Mukherjee , Lifan Yuan , Pavan Jayasinha , Dilek Hakkani-Tür , Hao Peng

A crucial component of machine learning algorithms is minimizing loss functions with less computational cost and less oscillations. While adaptive learning rate-based optimizers have been widely used for real-world tasks, they do not…

机器学习 · 计算机科学 2026-05-29 Sakshi Kumari , Shyam Kumar M , Sushmitha P

In modern deep learning, the models are learned by applying gradient updates using an optimizer, which transforms the updates based on various statistics. Optimizers are often hand-designed and tuning their hyperparameters is a big part of…

机器学习 · 计算机科学 2024-10-08 Gus Kristiansen , Mark Sandler , Andrey Zhmoginov , Nolan Miller , Anirudh Goyal , Jihwan Lee , Max Vladymyrov

Adam has proven remarkable successful in training deep neural networks, but the mechanisms underlying its empirical successes and limitations remain underexplored. In this study, we demonstrate that the effectiveness of Adam stems largely…

机器学习 · 计算机科学 2025-07-10 Hanyang Peng , Shuang Qin , Yue Yu , Fangqing Jiang , Hui Wang , Wen Gao

The best performing Binary Neural Networks (BNNs) are usually attained using Adam optimization and its multi-step training variants. However, to the best of our knowledge, few studies explore the fundamental reasons why Adam is superior to…

机器学习 · 计算机科学 2021-06-22 Zechun Liu , Zhiqiang Shen , Shichao Li , Koen Helwegen , Dong Huang , Kwang-Ting Cheng

Adam is applied widely to train neural networks. Different kinds of Adam methods with different features pop out. Recently two new adam optimizers, AdaBelief and Padam are introduced among the community. We analyze these two adam optimizers…

计算机视觉与模式识别 · 计算机科学 2021-10-05 Zhaoyang Zhu , Haozhe Sun , Chi Zhang

This paper presents a state-of-the-art overview on how to architect, design, and optimize Deep Neural Networks (DNNs) such that performance is improved and accuracy is preserved. The paper covers a set of optimizations that span the entire…

机器学习 · 计算机科学 2022-08-05 Humberto Carvalho , Pavel Zaykov , Asim Ukaye

Learning to learn has emerged as an important direction for achieving artificial intelligence. Two of the primary barriers to its adoption are an inability to scale to larger problems and a limited ability to generalize to new tasks. We…

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common…

机器学习 · 计算机科学 2025-09-05 Thomas R. Harvey

This paper proposes an efficient optimizer called AdaPlus which integrates Nesterov momentum and precise stepsize adjustment on AdamW basis. AdaPlus combines the advantages of AdamW, Nadam, and AdaBelief and, in particular, does not…

机器学习 · 计算机科学 2023-12-27 Lei Guan

The Adam optimizer is a cornerstone of modern deep learning, yet the empirical necessity of each of its individual components is often taken for granted. This paper presents a focused investigation into the role of bias-correction, a…

机器学习 · 计算机科学 2025-11-27 Sam Laing , Antonio Orvieto

Following the introduction of Adam, several novel adaptive optimizers for deep learning have been proposed. These optimizers typically excel in some tasks but may not outperform Adam uniformly across all tasks. In this work, we introduce…

机器学习 · 计算机科学 2024-06-18 Kaan Ozkara , Can Karakus , Parameswaran Raman , Mingyi Hong , Shoham Sabach , Branislav Kveton , Volkan Cevher

The optimization algorithm and its hyperparameters can significantly affect the training speed and resulting model accuracy in machine learning applications. The wish list for an ideal optimizer includes fast and smooth convergence to low…

机器学习 · 计算机科学 2024-02-20 Marco Eckhoff , Markus Reiher