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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

Optimal selection of optimization algorithms is crucial for training deep learning models. The Adam optimizer has gained significant attention due to its efficiency and wide applicability. However, to enhance the adaptability of optimizers…

机器学习 · 计算机科学 2024-09-09 Chengxi Pan , Junshang Chen , Jingrui Ye

We introduce AdaAct, a novel optimization algorithm that adjusts learning rates according to activation variance. Our method enhances the stability of neuron outputs by incorporating neuron-wise adaptivity during the training process, which…

机器学习 · 计算机科学 2025-06-11 Hyunseok Seung , Jaewoo Lee , Hyunsuk Ko

Adam is the de facto optimization algorithm for several deep learning applications, but an understanding of its implicit bias and how it differs from other algorithms, particularly standard first-order methods such as (stochastic) gradient…

机器学习 · 计算机科学 2025-10-27 Bhavya Vasudeva , Jung Whan Lee , Vatsal Sharan , Mahdi Soltanolkotabi

Adam-type methods, the extension of adaptive gradient methods, have shown great performance in the training of both supervised and unsupervised machine learning models. In particular, Adam-type optimizers have been widely used empirically…

机器学习 · 计算机科学 2021-09-30 Zehao Dou , Yuanzhi Li

Adaptive Moment Estimation (Adam) is a cornerstone optimization algorithm in deep learning, widely recognized for its flexibility with adaptive learning rates and efficiency in handling large-scale data. However, despite its practical…

机器学习 · 计算机科学 2025-05-21 Ruinan Jin , Xiao Li , Yaoliang Yu , Baoxiang Wang

Adam is a widely used optimizer in neural network training due to its adaptive learning rate. However, because different data samples influence model updates to varying degrees, treating them equally can lead to inefficient convergence. To…

机器学习 · 统计学 2025-12-09 Gyu Yeol Kim , Min-hwan Oh

In the training of neural networks, adaptive moment estimation (Adam) typically converges fast but exhibits suboptimal generalization performance. A widely accepted explanation for its defect in generalization is that it often tends to…

机器学习 · 计算机科学 2026-03-10 Tao Shi , Liangming Chen , Long Jin , Mengchu Zhou

Despite the popularity of the Adam optimizer in practice, most theoretical analyses study Stochastic Gradient Descent (SGD) as a proxy for Adam, and little is known about how the solutions found by Adam differ. In this paper, we show that…

机器学习 · 计算机科学 2025-11-05 Xinghan Li , Haodong Wen , Kaifeng Lyu

In this paper, we investigate the popular deep learning optimization routine, Adam, from the perspective of statistical moments. While Adam is an adaptive lower-order moment based (of the stochastic gradient) method, we propose an extension…

机器学习 · 计算机科学 2019-10-16 Zhanhong Jiang , Aditya Balu , Sin Yong Tan , Young M Lee , Chinmay Hegde , Soumik Sarkar

In this paper, we propose a new first-order gradient-based algorithm to train deep neural networks. We first introduce the sign operation of stochastic gradients (as in sign-based methods, e.g., SIGN-SGD) into ADAM, which is called as…

计算机视觉与模式识别 · 计算机科学 2019-07-23 Dong Wang , Yicheng Liu , Wenwo Tang , Fanhua Shang , Hongying Liu , Qigong Sun , Licheng Jiao

Adam is one of the most popular optimization algorithms in deep learning. However, it is known that Adam does not converge in theory unless choosing a hyperparameter, i.e., $\beta_2$, in a problem-dependent manner. There have been many…

First-order optimization methods are currently the mainstream in training deep neural networks (DNNs). Optimizers like Adam incorporate limited curvature information by employing the diagonal matrix preconditioning of the stochastic…

机器学习 · 计算机科学 2025-03-12 Damien Martins Gomes , Yanlei Zhang , Eugene Belilovsky , Guy Wolf , Mahdi S. Hosseini

Second-order optimization methods, which leverage curvature information, offer faster and more stable convergence than first-order methods such as stochastic gradient descent (SGD) and Adam. However, their practical adoption is hindered by…

新兴技术 · 计算机科学 2025-12-08 Saitao Zhang , Yubiao Luo , Shiqing Wang , Pushen Zuo , Yongxiang Li , Lunshuai Pan , Zheng Miao , Zhong Sun

The performance of optimizers, particularly in deep learning, depends considerably on their chosen hyperparameter configuration. The efficacy of optimizers is often studied under near-optimal problem-specific hyperparameters, and finding…

机器学习 · 计算机科学 2020-08-18 Prabhu Teja Sivaprasad , Florian Mai , Thijs Vogels , Martin Jaggi , François Fleuret

Optimizer is an essential component for the success of deep learning, which guides the neural network to update the parameters according to the loss on the training set. SGD and Adam are two classical and effective optimizers on which…

机器学习 · 计算机科学 2023-07-04 Yineng Chen , Zuchao Li , Lefei Zhang , Bo Du , Hai Zhao

One of the primary reasons behind the success of neural networks has been the emergence of an array of new, highly-successful optimizers, perhaps most importantly the Adam optimizer. It is widely used for training neural networks, yet…

机器学习 · 计算机科学 2025-07-25 Benedikt Brantner

We study whether and how the choice of optimization algorithm can impact group fairness in deep neural networks. Through stochastic differential equation analysis of optimization dynamics in an analytically tractable setup, we demonstrate…

机器学习 · 计算机科学 2025-10-27 Mojtaba Kolahdouzi , Hatice Gunes , Ali Etemad

Adaptive Moment Estimation (ADAM) is a very popular training algorithm for deep neural networks and belongs to the family of adaptive gradient descent optimizers. However to the best of the authors knowledge no complete convergence analysis…

机器学习 · 计算机科学 2021-02-22 Sebastian Bock , Martin Georg Weiß

Optimization is critical for optimal performance in deep neural networks (DNNs). Traditional gradient-based methods often face challenges like local minima entrapment. This paper explores population-based metaheuristic optimization…

计算机视觉与模式识别 · 计算机科学 2025-01-14 Akhilbaran Ghosh , Rama Sai Adithya Kalidindi