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Developers of Molecular Dynamics (MD) codes face significant challenges when adapting existing simulation packages to new hardware. In a continuously diversifying hardware landscape it becomes increasingly difficult for scientists to be…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-14 William R. Saunders , James Grant , Eike H. Müller

Differential evolution (DE) is an effective global evolutionary optimization algorithm using to solve global optimization problems mainly in a continuous domain. In this field, researchers pay more attention to improving the capability of…

Neural and Evolutionary Computing · Computer Science 2023-03-07 Pan Zibin

Optimization techniques play an important role in several scientific and real-world applications, thus becoming of great interest for the community. As a consequence, a number of open-source libraries are available in the literature, which…

Neural and Evolutionary Computing · Computer Science 2017-04-19 Joao Paulo Papa , Gustavo Henrique Rosa , Douglas Rodrigues , Xin-She Yang

Gradients of probabilistic model likelihoods with respect to their parameters are essential for modern computational statistics and machine learning. These calculations are readily available for arbitrary models via automatic…

Populations and Evolution · Quantitative Biology 2023-06-06 Mathieu Fourment , Christiaan J. Swanepoel , Jared G. Galloway , Xiang Ji , Karthik Gangavarapu , Marc A. Suchard , Frederick A. Matsen

Shampoo is an online and stochastic optimization algorithm belonging to the AdaGrad family of methods for training neural networks. It constructs a block-diagonal preconditioner where each block consists of a coarse Kronecker product…

TMAC is a toolbox written in C++11 that implements algorithms based on a set of modern methods for large-scale optimization. It covers a variety of optimization problems, which can be both smooth and nonsmooth, convex and nonconvex, as well…

Optimization and Control · Mathematics 2016-06-16 Brent Edmunds , Zhimin Peng , Wotao Yin

Asynchronous distributed algorithms are a popular way to reduce synchronization costs in large-scale optimization, and in particular for neural network training. However, for nonsmooth and nonconvex objectives, few convergence guarantees…

Optimization and Control · Mathematics 2020-07-14 Vyacheslav Kungurtsev , Malcolm Egan , Bapi Chatterjee , Dan Alistarh

We show how to efficiently compute the derivative (when it exists) of the solution map of log-log convex programs (LLCPs). These are nonconvex, nonsmooth optimization problems with positive variables that become convex when the variables,…

Optimization and Control · Mathematics 2020-06-02 Akshay Agrawal , Stephen Boyd

This paper presents an evolutionary algorithm with a new goal-sequence domination scheme for better decision support in multi-objective optimization. The approach allows the inclusion of advanced hard/soft priority and constraint…

Artificial Intelligence · Computer Science 2011-06-02 E. F. Khor , T. H. Lee , R. Sathikannan , K. C. Tan

Two key factors dominate the development of effective production grade machine learning models. First, it requires a local software implementation and iteration process. Second, it requires distributed infrastructure to efficiently conduct…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-12-20 Alexandra Johnson , Michael McCourt

The Distributed Constraint Optimization Problem (DCOP) formulation is a powerful tool to model cooperative multi-agent problems that need to be solved distributively. A core assumption of existing approaches is that DCOP solutions can be…

Artificial Intelligence · Computer Science 2025-02-21 Ben Rachmut , Stylianos Loukas Vasileiou , Nimrod Meir Weinstein , Roie Zivan , William Yeoh

We introduce torchbearer, a model fitting library for pytorch aimed at researchers working on deep learning or differentiable programming. The torchbearer library provides a high level metric and callback API that can be used for a wide…

Machine Learning · Computer Science 2018-09-11 Ethan Harris , Matthew Painter , Jonathon Hare

Multiple Instance Learning (MIL) is a powerful framework for weakly supervised learning, particularly useful when fine-grained annotations are unavailable. Despite growing interest in deep MIL methods, the field lacks standardized tools for…

State-of-the-art deep learning systems such as TensorFlow and PyTorch tightly couple the model with the underlying hardware. This coupling requires the user to modify application logic in order to run the same job across a different set of…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-13 Andrew Or , Haoyu Zhang , Michael J. Freedman

This paper pioneers a novel data-centric paradigm to maximize the utility of unlabeled data, tackling a critical question: How can we enhance the efficiency and sustainability of deep learning training by optimizing the data itself? We…

Machine Learning · Computer Science 2025-10-13 Xinyi Shang , Peng Sun , Fengyuan Liu , Tao Lin

Automatic differentiation frameworks are optimized for exactly one thing: computing the average mini-batch gradient. Yet, other quantities such as the variance of the mini-batch gradients or many approximations to the Hessian can, in…

Machine Learning · Computer Science 2020-02-18 Felix Dangel , Frederik Kunstner , Philipp Hennig

Modern deep learning systems like PyTorch and Tensorflow are able to train enormous models with billions (or trillions) of parameters on a distributed infrastructure. These systems require that the internal nodes have the same memory…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-01 Yifan Ding , Nicholas Botzer , Tim Weninger

In recent years, large-scale models have demonstrated state-of-the-art performance across various domains. However, training such models requires various techniques to address the problem of limited computing power and memory on devices…

Machine Learning · Computer Science 2023-02-23 Yuliang Liu , Shenggui Li , Jiarui Fang , Yanjun Shao , Boyuan Yao , Yang You

Large-scale deep learning models contribute to significant performance improvements on varieties of downstream tasks. Current data and model parallelism approaches utilize model replication and partition techniques to support the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-19 Youhe Jiang , Fangcheng Fu , Xupeng Miao , Xiaonan Nie , Bin Cui

This article describes a very high-level language for clear description of distributed algorithms and optimizations necessary for generating efficient implementations. The language supports high-level control flows where complex…

Programming Languages · Computer Science 2021-10-07 Yanhong A. Liu , Scott D. Stoller , Bo Lin