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Every open-system dynamics can be associated to infinitely many stochastic pictures, called unravelings, which have proved to be extremely useful in several contexts, both from the conceptual and the practical point of view. Here, focusing…

Quantum Physics · Physics 2022-10-19 Dariusz Chruściński , Kimmo Luoma , Jyrki Piilo , Andrea Smirne

Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe time-scale limitations. To address this, enhanced sampling methods have been developed to improve exploration of…

Statistical Mechanics · Physics 2023-06-19 Shams Mehdi , Zachary Smith , Lukas Herron , Ziyue Zou , Pratyush Tiwary

This paper discusses the potential of graphics processing units (GPUs) in high-dimensional optimization problems. A single GPU card with hundreds of arithmetic cores can be inserted in a personal computer and dramatically accelerates many…

Computation · Statistics 2015-03-13 Hua Zhou , Kenneth Lange , Marc A. Suchard

Quantum Machine Learning (QML) is considered to be one of the most promising applications of near term quantum devices. However, the optimization of quantum machine learning models presents numerous challenges arising from the imperfections…

Machine Learning · Computer Science 2022-05-17 Owen Lockwood

Machine Learning algorithms are extensively used in an increasing number of systems, applications, technologies, and products, both in industry and in society as a whole. They enable computing devices to learn from previous experience and…

Quantum Physics · Physics 2025-02-17 Lucas Lamata

The present von Neumann computing paradigm involves a significant amount of information transfer between a central processing unit (CPU) and memory, with concomitant limitations in the actual execution speed. However, it has been recently…

Emerging Technologies · Computer Science 2014-07-03 Fabio Lorenzo Traversa , Fabrizio Bonani , Yuriy V. Pershin , Massimiliano Di Ventra

Classical optimization algorithms in machine learning often take a long time to compute when applied to a multi-dimensional problem and require a huge amount of CPU and GPU resource. Quantum parallelism has a potential to speed up machine…

Quantum Physics · Physics 2019-11-21 Venkat R. Dasari , Mee Seong Im , Lubjana Beshaj

Over the past two decades, the storage capacity and access bandwidth of main memory have improved tremendously, by 128x and 20x, respectively. These improvements are mainly due to the continuous technology scaling of DRAM (dynamic…

Hardware Architecture · Computer Science 2017-12-25 Kevin K. Chang

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of…

For servers incorporating parallel computing resources, batching is a pivotal technique for providing efficient and economical services at scale. Parallel computing resources exhibit heightened computational and energy efficiency when…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-07 Yaodan Xu , Sheng Zhou , Zhisheng Niu

The speed of modern digital systems is severely limited by memory latency (the ``Memory Wall'' problem). Data exchange between Logic and Memory is also responsible for a large part of the system energy consumption. Logic--In--Memory (LiM)…

Hardware Architecture · Computer Science 2023-04-14 Fabrizio Ottati , Giovanna Turvani , Marco Vacca , Guido Masera

This paper was prompted by numerical experiments we performed, in which algorithms already available in the literature (DVS-BDDM) yielded accelerations (or speedups) many times larger (more than seventy in some examples already treated, but…

Computational Engineering, Finance, and Science · Computer Science 2024-12-20 Ismael Herrera-Revilla , Iván Contreras , Graciela S. Herrera

In this paper, we focus on the statistical filtering problem in dynamical models with jumps. When a particular application relies on physical properties which are modeled by linear and Gaussian probability density functions with jumps, an…

Computation · Statistics 2015-06-17 Yohan Petetin , François Desbouvries

Attention-based large language models (LLMs) have transformed modern AI applications, but the quadratic cost of self-attention imposes significant compute and memory overhead. Dynamic sparsity (DS) attention mitigates this, yet its hardware…

Machine Learning · Computer Science 2025-12-09 Huizheng Wang , Hongbin Wang , Shaojun Wei , Yang Hu , Shouyi Yin

As a well-known optimization framework, the Alternating Direction Method of Multipliers (ADMM) has achieved tremendous success in many classification and regression applications. Recently, it has attracted the attention of deep learning…

Machine Learning · Computer Science 2021-12-23 Junxiang Wang , Hongyi Li , Liang Zhao

We propose Booster, a novel accelerator for gradient boosting trees based on the unique characteristics of gradient boosting models. We observe that the dominant steps of gradient boosting training (accounting for 90-98% of training time)…

Hardware Architecture · Computer Science 2020-11-06 Mingxuan He , T. N. Vijaykumar , Mithuna Thottethodi

In this article we propose a model for stochastic delay differential equation with jumps (SDDEJ) in a differentiable manifold $M$ endowed with a connection $\nabla$. In our model, the continuous part is driven by vector fields with a fixed…

Dynamical Systems · Mathematics 2015-03-20 Leandro Morgado , Paulo R. Ruffino

Massively parallel molecular simulations require pseudorandom number streams that are provably non-overlapping and reproducible across thousands of compute units in parallel computing environments. In the widely used LAMMPS package, the…

Mathematical Software · Computer Science 2025-12-02 Hiroshi Haramoto , Kosuke Suzuki

Popular approaches for minimizing loss in data-driven learning often involve an abstraction or an explicit retention of the history of gradients for efficient parameter updates. The aggregated history of gradients nudges the parameter…

Machine Learning · Computer Science 2021-06-22 Paul-Aymeric McRae , Prasanna Parthasarathi , Mahmoud Assran , Sarath Chandar

Transport through correlated nanoscale systems underpins the operation of quantum-dot and molecular-scale devices, yet accurate simulations of large open quantum systems remain computationally challenging as system size increases.…

Mesoscale and Nanoscale Physics · Physics 2026-04-09 Maximilian Streitberger , Marko J. Rančić
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