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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…

Computational Physics · Physics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Machine Learning · Computer Science 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…

Emerging Technologies · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 2025-01-14 Akhilbaran Ghosh , Rama Sai Adithya Kalidindi
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