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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

Hyperparameter tuning, particularly the selection of an appropriate learning rate in adaptive gradient training methods, remains a challenge. To tackle this challenge, in this paper, we propose a novel parameter-free optimizer,…

Machine Learning · Computer Science 2024-05-28 Yijiang Pang , Shuyang Yu , Bao Hoang , Jiayu Zhou

Adaptive gradient methods have become popular in optimizing deep neural networks; recent examples include AdaGrad and Adam. Although Adam usually converges faster, variations of Adam, for instance, the AdaBelief algorithm, have been…

Machine Learning · Computer Science 2024-10-29 Kushal Chakrabarti , Nikhil Chopra

Many adaptive optimization methods have been proposed and used in deep learning, in which Adam is regarded as the default algorithm and widely used in many deep learning frameworks. Recently, many variants of Adam, such as Adabound, RAdam…

Machine Learning · Computer Science 2020-11-05 Wei Yuan , Kai-Xin Gao

Adaptive gradient-based optimizers such as Adagrad and Adam are crucial for achieving state-of-the-art performance in machine translation and language modeling. However, these methods maintain second-order statistics for each parameter,…

Machine Learning · Computer Science 2019-09-13 Rohan Anil , Vineet Gupta , Tomer Koren , Yoram Singer

Neural networks are trained by optimizing multi-dimensional sets of fitting parameters on non-convex loss landscapes. Low-loss regions of the landscapes correspond to the parameter sets that perform well on the training data. A key issue in…

Machine Learning · Computer Science 2026-02-26 Jianneng Yu , Alexandre V. Morozov

Differential Privacy (DP) is becoming central to large-scale training as privacy regulations tighten. We revisit how DP noise interacts with adaptivity in optimization through the lens of stochastic differential equations, providing the…

It is well known that we need to choose the hyper-parameters in Momentum, AdaGrad, AdaDelta, and other alternative stochastic optimizers. While in many cases, the hyper-parameters are tuned tediously based on experience becoming more of an…

Machine Learning · Computer Science 2022-04-05 Jun Lu

Communication-efficient variants of SGD, specifically local SGD, have received a great deal of interest in recent years. These approaches compute multiple gradient steps locally on each worker, before averaging model parameters, helping…

Machine Learning · Computer Science 2025-06-13 Charles-Étienne Joseph , Benjamin Thérien , Abhinav Moudgil , Boris Knyazev , Eugene Belilovsky

Tuning the hyperparameters in the differentially private stochastic gradient descent (DPSGD) is a fundamental challenge. Unlike the typical SGD, private datasets cannot be used many times for hyperparameter search in DPSGD; e.g., via a grid…

Machine Learning · Computer Science 2021-08-10 Aman Priyanshu , Rakshit Naidu , Fatemehsadat Mireshghallah , Mohammad Malekzadeh

Convolutional neural networks (CNNs) have shown very appealing performance for many computer vision applications. The training of CNNs is generally performed using stochastic gradient descent (SGD) based optimization techniques. The…

Computer Vision and Pattern Recognition · Computer Science 2022-07-20 Sumanth Sadu , Shiv Ram Dubey , SR Sreeja

Stochastic gradient descent~(SGD) and its variants have been the dominating optimization methods in machine learning. Compared to SGD with small-batch training, SGD with large-batch training can better utilize the computational power of…

Machine Learning · Statistics 2024-04-16 Shen-Yi Zhao , Chang-Wei Shi , Yin-Peng Xie , Wu-Jun Li

Adaptive optimizers such as Adam (Kingma & Ba, 2015) have been central to the success of large language models. However, they often require to maintain optimizer states throughout training, which can result in memory requirements several…

Machine Learning · Computer Science 2025-02-24 Chao Ma , Wenbo Gong , Meyer Scetbon , Edward Meeds

Despite superior training outcomes, adaptive optimization methods such as Adam, Adagrad or RMSprop have been found to generalize poorly compared to Stochastic gradient descent (SGD). These methods tend to perform well in the initial portion…

Machine Learning · Computer Science 2017-12-21 Nitish Shirish Keskar , Richard Socher

Following the same routine as [SSJ20], we continue to present the theoretical analysis for stochastic gradient descent with momentum (SGD with momentum) in this paper. Differently, for SGD with momentum, we demonstrate it is the two…

Machine Learning · Computer Science 2022-09-13 Bin Shi

The paper presents the formulation, implementation, and evaluation of the ArcGD optimiser. The evaluation is conducted initially on a non-convex benchmark function and subsequently on a real-world ML dataset. The initial comparative study…

Machine Learning · Computer Science 2026-03-25 Nikhil Verma , Joonas Linnosmaa , Leonardo Espinosa-Leal , Napat Vajragupta

We propose a continuous-time scheme for large-scale optimization that introduces individual, adaptive momentum coefficients regulated by the kinetic energy of each model parameter. This approach automatically adjusts to local landscape…

Machine Learning · Computer Science 2026-02-03 Aikaterini Karoni , Rajit Rajpal , Benedict Leimkuhler , Gabriel Stoltz

Through theoretical and experimental validation, unlike all existing adaptive methods like Adam which penalize frequently-changing parameters and are only applicable to sparse gradients, we propose the simplest SGD enhanced method,…

Machine Learning · Computer Science 2023-10-04 Gongyue Zhang , Dinghuang Zhang , Shuwen Zhao , Donghan Liu , Carrie M. Toptan , Honghai Liu

We introduce AlphaGrad, a memory-efficient, conditionally stateless optimizer addressing the memory overhead and hyperparameter complexity of adaptive methods like Adam. AlphaGrad enforces scale invariance via tensor-wise L2 gradient…

Machine Learning · Computer Science 2025-04-24 Soham Sane

Adam is a widely used stochastic optimization method for deep learning applications. While practitioners prefer Adam because it requires less parameter tuning, its use is problematic from a theoretical point of view since it may not…

Machine Learning · Computer Science 2020-11-25 Mingrui Liu , Wei Zhang , Francesco Orabona , Tianbao Yang