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We test the performances of two different approaches to the computation of forces for molecular dynamics simulations on Graphics Processing Units. A "vertex-based" approach, where a computing thread is started per particle, is compared to a…

Computational Physics · Physics 2014-10-01 Lorenzo Rovigatti , Petr Šulc , István Z. Reguly , Flavio Romano

Multi-socket multi-core servers are used for solving some of the important problems in computing. Remote DRAM accesses can impact performance of certain applications running on such servers. This paper presents a new near linear operating…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-07 Suryanarayana Murthy Durbhakula

Modern HPC systems are increasingly relying on greater core counts and wider vector registers. Thus, applications need to be adapted to fully utilize these hardware capabilities. One class of applications that can benefit from this increase…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-16 James Vance , Zhen-Hao Xu , Nikita Tretyakov , Torsten Stuehn , Markus Rampp , Sebastian Eibl , Christoph Junghans , André Brinkmann

We present and analyze for a scalar linear evolution model problem a time multigrid algorithm for DG-discretizations in time. We derive asymptotically optimized parameters for the smoother, and also an asymptotically sharp convergence…

Numerical Analysis · Mathematics 2014-10-02 Martin J. Gander , Martin Neumüller

In distributed machine learning, a central node outsources computationally expensive calculations to external worker nodes. The properties of optimization procedures like stochastic gradient descent (SGD) can be leveraged to mitigate the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-19 Maximilian Egger , Serge Kas Hanna , Rawad Bitar

This paper is concerned with distributed limited memory prediction for continuous-time linear stochastic systems with multiple sensors. A distributed fusion with the weighted sum structure is applied to the optimal local limited memory…

Other Computer Science · Computer Science 2010-02-18 Ha-ryong Song , Vladimir Shin

We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians. Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series…

Quantum Physics · Physics 2021-09-15 Yi-Hsiang Chen , Amir Kalev , Itay Hen

Large Language Models (LLMs) are powerful but often too slow and costly for real-world use during inference. Looped transformers save on parameters by reusing the same weights for multiple computational steps, or "loops." However, this…

Computation and Language · Computer Science 2025-10-30 Bohong Wu , Mengzhao Chen , Xiang Luo , Shen Yan , Qifan Yu , Fan Xia , Tianqi Zhang , Hongrui Zhan , Zheng Zhong , Xun Zhou , Siyuan Qiao , Xingyan Bin

This paper addresses the problem of parallelizing computations to study non-linear dynamics in large networks of non-locally coupled oscillators using heterogeneous computing resources. The proposed approach can be applied to a variety of…

Chaotic Dynamics · Physics 2025-07-04 Oleksandr Sudakov , Volodymyr Maistrenko

Efficient large-scale inference of transformer-based large language models (LLMs) remains a fundamental systems challenge, frequently requiring multi-GPU parallelism to meet stringent latency and throughput targets. Conventional tensor…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-10 Chong Wang , Nan Du , Tom Gunter , Tao Lei , Kulin Seth , Senyu Tong , Jianyu Wang , Guoli Yin , Xiyou Zhou , Kelvin Zou , Ruoming Pang

This work develops robust diffusion recursive least squares algorithms to mitigate the performance degradation often experienced in networks of agents in the presence of impulsive noise. The first algorithm minimizes an exponentially…

Machine Learning · Computer Science 2019-02-05 Y. Yu , H. Zhao , R. C. de Lamare , Y. Zakharov , L. Lu

We study the Stochastic Gradient Langevin Dynamics (SGLD) algorithm for non-convex optimization. The algorithm performs stochastic gradient descent, where in each step it injects appropriately scaled Gaussian noise to the update. We analyze…

Machine Learning · Computer Science 2018-04-10 Yuchen Zhang , Percy Liang , Moses Charikar

While scaling test-time compute can substantially improve model performance, existing approaches either rely on static compute allocation or sample from fixed generation distributions. In this work, we introduce a test-time compute…

Artificial Intelligence · Computer Science 2026-04-24 Bowen Zuo , Dongruo Zhou , Yinglun Zhu

The implementation of time-evolution operators $U(t)$, called Hamiltonian simulation, is one of the most promising usage of quantum computers. For time-independent Hamiltonians, qubitization has recently established efficient realization of…

Quantum Physics · Physics 2023-03-29 Kaoru Mizuta , Keisuke Fujii

Many models such as Long Short Term Memory (LSTMs), Gated Recurrent Units (GRUs) and transformers have been developed to classify time series data with the assumption that events in a sequence are ordered. On the other hand, fewer models…

Machine Learning · Computer Science 2021-02-02 Stephanie Ger , Diego Klabjan , Jean Utke

Fine-tuning large language models (LLMs) remains resource-intensive due to their sheer scale. While zeroth-order (ZO) optimization provides a memory-efficient alternative by eliminating backward passes, its application to…

Machine Learning · Computer Science 2025-07-08 Liangyu Wang , Huanyi Xie , Di Wang

This paper presents a novel meta algorithm, Partition-Merge (PM), which takes existing centralized algorithms for graph computation and makes them distributed and faster. In a nutshell, PM divides the graph into small subgraphs using our…

Data Structures and Algorithms · Computer Science 2013-09-25 Vincent Blondel , Kyomin Jung , Pushmeet Kohli , Devavrat Shah

Transformer-based pre-trained language models (PLMs) mostly suffer from excessive overhead despite their advanced capacity. For resource-constrained devices, there is an urgent need for a spatially and temporally efficient model which…

Computation and Language · Computer Science 2022-10-28 Bowen Shen , Zheng Lin , Yuanxin Liu , Zhengxiao Liu , Lei Wang , Weiping Wang

We describe a simple quantum algorithm to simulate time-dependent Hamiltonian, extending the methodology of quantum signal processing. The framework achieves optimal scaling up to some factor with respect to other parameters, and nearly…

Quantum Physics · Physics 2025-03-11 Nhat A. Nghiem

We introduce a new, high-throughput, synchronous, distributed, data-parallel, stochastic-gradient-descent learning algorithm. This algorithm uses amortized inference in a compute-cluster-specific, deep, generative, dynamical model to…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-14 Michael Teng , Frank Wood
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