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Recent studies incorporate Nesterov's accelerated gradient method for the acceleration of gradient based training. The Nesterov's Accelerated Quasi-Newton (NAQ) method has shown to drastically improve the convergence speed compared to the…

Machine Learning · Computer Science 2020-10-16 S. Indrapriyadarsini , Shahrzad Mahboubi , Hiroshi Ninomiya , Hideki Asai

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

To accurately study chemical reactions in the condensed phase or within enzymes, both a quantum-mechanical description and sufficient configurational sampling is required to reach converged estimates. Here, quantum mechanics/molecular…

Chemical Physics · Physics 2022-10-05 Albert Hofstetter , Lennard Böselt , Sereina Riniker

This paper describes an implementation of the L-BFGS method designed to deal with two adversarial situations. The first occurs in distributed computing environments where some of the computational nodes devoted to the evaluation of the…

Optimization and Control · Mathematics 2019-08-28 Albert S. Berahas , Martin Takáč

Searching for accurate Machine and Deep Learning models is a computationally expensive and awfully energivorous process. A strategy which has been gaining recently importance to drastically reduce computational time and energy consumed is…

Machine Learning · Computer Science 2020-06-26 Antonio Candelieri , Riccardo Perego , Francesco Archetti

Support vector machines (SVMs) are invaluable tools for many practical applications in artificial intelligence, e.g., classification and event recognition. However, popular SVM solvers are not sufficiently efficient for applications with a…

Machine Learning · Computer Science 2011-10-02 Tianyi Zhou , Dacheng Tao , Xindong Wu

This work introduces a novel approach for the joint selection of model structure and parameter learning for nonlinear dynamical systems identification. Focusing on a specific Recurrent Neural Networks (RNNs) family, i.e., Nonlinear…

Systems and Control · Electrical Eng. & Systems 2026-01-27 Corrado Sgadari , Alessio La Bella , Marcello Farina

The availability of precise and accurate simulation is a limiting factor for interpreting and forecasting data in many fields of science and engineering. Often, one or more distinct simulation software applications are developed, each with…

High Energy Physics - Experiment · Physics 2025-02-19 Moritz Wolf , Lars O. Stietz , Patrick L. S. Connor , Peter Schleper , Samuel Bein

Training convolutional neural networks (CNNs) on high-resolution images is often bottlenecked by the cost of evaluating gradients of the loss on the finest spatial mesh. To address this, we propose Multiscale Gradient Estimation (MGE), a…

Machine Learning · Computer Science 2026-03-03 Shadab Ahamed , Niloufar Zakariaei , Eldad Haber , Moshe Eliasof

Memristors as emergent nano-electronic devices have been successfully fabricated and used in non-conventional and neuromorphic computing systems in the last years. Several behavioral or physical based models have been developed to explain…

Fluidic injection provides a promising solution to improve the performance of overexpanded single expansion ramp nozzle (SERN) during vehicle acceleration. However, determining the injection parameters for the best overall performance under…

Fluid Dynamics · Physics 2024-09-20 Yunjia Yang , Jiazhe Li , Yufei Zhang , Haixin Chen

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

Quasi-Newton methods still face significant challenges in training large-scale neural networks due to additional compute costs in the Hessian related computations and instability issues in stochastic training. A well-known method, L-BFGS…

Machine Learning · Computer Science 2023-07-27 Yue Niu , Zalan Fabian , Sunwoo Lee , Mahdi Soltanolkotabi , Salman Avestimehr

We combine two advanced ideas widely used in optimization for machine learning: shuffling strategy and momentum technique to develop a novel shuffling gradient-based method with momentum, coined Shuffling Momentum Gradient (SMG), for…

Optimization and Control · Mathematics 2021-06-10 Trang H. Tran , Lam M. Nguyen , Quoc Tran-Dinh

Gravity inversion is the problem of estimating subsurface density distributions from observed gravitational field data. We consider the two-dimensional (2D) case, in which recovering density models from one-dimensional (1D) measurements…

In this paper, we propose Nesterov Accelerated Shuffling Gradient (NASG), a new algorithm for the convex finite-sum minimization problems. Our method integrates the traditional Nesterov's acceleration momentum with different shuffling…

Optimization and Control · Mathematics 2022-06-14 Trang H. Tran , Katya Scheinberg , Lam M. Nguyen

Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the dynamics of these systems. Atomic scale simulations can be…

Mesoscale and Nanoscale Physics · Physics 2024-08-15 Nan Xu , Petter Rosander , Christian Schäfer , Eric Lindgren , Nicklas Österbacka , Mandi Fang , Wei Chen , Yi He , Zheyong Fan , Paul Erhart

Federated learning (FL) enables distributed training while preserving data privacy, but stragglers-slow or incapable clients-can significantly slow down the total training time and degrade performance. To mitigate the impact of stragglers,…

Machine Learning · Computer Science 2024-09-11 Honggu Kang , Seohyeon Cha , Jinwoo Shin , Jongmyeong Lee , Joonhyuk Kang

The time evolution in quantum many-body systems after external excitations is attracting high interest in many fields. The theoretical modeling of these processes is challenging, and the only rigorous quantum-dynamics approach that can…

Strongly Correlated Electrons · Physics 2020-07-01 J. -P. Joost , N. Schlünzen , M. Bonitz

Federated learning has emerged recently as a promising solution for distributing machine learning tasks through modern networks of mobile devices. Recent studies have obtained lower bounds on the expected decrease in model loss that is…

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