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Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-03-03 Jana Pazúriková

Investigating uncertainties in computer simulations can be prohibitive in terms of computational costs, since the simulator needs to be run over a large number of input values. Building an emulator, i.e. a statistical surrogate model of the…

Methodology · Statistics 2022-10-18 Ayao Ehara , Serge Guillas

The unknown parameters of simulation models often need to be calibrated using observed data. When simulation models are expensive, calibration is usually carried out with an emulator. The effectiveness of the calibration process can be…

Computation · Statistics 2024-12-03 Özge Sürer , Stefan M. Wild

Bootstrapping is a popular and computationally demanding resampling method used for measuring the accuracy of sample estimates and assisting with statistical inference. R is a freely available language and environment for statistical…

Computation · Statistics 2014-01-27 T. M. Sloan , M. Piotrowski , T. Forster , P. Ghazal

Recent advances in random-walk particle-tracking have enabled direct simulation of mixing and reactions on particles by allowing the particles to interact with each other using a multi-point mass transfer scheme. The mass transfer scheme…

Computational Physics · Physics 2019-04-22 Nicholas B. Engdahl , Michael J. Schmidt , David A. Benson

In view of the tremendous computing power jump of modern RISC processors the interest in parallel computing seems to be thinning out. Why use a complicated system of parallel processors, if the problem can be solved by a single powerful…

comp-gas · Physics 2008-02-03 G. Odor , F. Rohrbach , G. Vesztergombi , G. Varga , F. Tatrai

Manycore System-on-Chip include an increasing amount of processing elements and have become an important research topic for improvements of both hardware and software. While research can be conducted using system simulators, prototyping…

Hardware Architecture · Computer Science 2013-04-19 Stefan Wallentowitz , Philipp Wagner , Michael Tempelmeier , Thomas Wild , Andreas Herkersdorf

Stencil computations consume a major part of runtime in many scientific simulation codes. As prototypes for this class of algorithms we consider the iterative Jacobi and Gauss-Seidel smoothers and aim at highly efficient parallel…

Performance · Computer Science 2012-03-01 Jan Treibig , Gerhard Wellein , Georg Hager

Task-based programming models have become very popular, as they offer an attractive solution to parallelize serial application code with task and data annotations. They usually depend on a runtime system that schedules the tasks to multiple…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-06-15 Spyros Lyberis , Polyvios Pratikakis , Iakovos Mavroidis , Dimitrios S. Nikolopoulos

Many HPC applications can be expressed as mixed-mode computations, in which each node of a computational DAG is itself a parallel computation that can be molded at runtime to allocate different amounts of processing resources. At the same…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-10 Agnes Rohlin , Henrik Fahlgren , Miquel Pericas

With the increasing scale of models, the need for efficient distributed training has become increasingly urgent. Recently, many synchronous pipeline parallelism approaches have been proposed to improve training throughput. However, these…

Machine Learning · Computer Science 2024-10-28 Houming Wu , Ling Chen , Wenjie Yu

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

The processor accelerators are effective because they are working not (completely) on principles of stored program computers. They use some kind of parallelism, and it is rather hard to program them effectively: a parallel architecture by…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-08-26 János Végh

Mixture-of-Experts is a promising approach for edge AI with low-batch inference. Yet, on-device deployments often face limited on-chip memory and severe workload imbalance; the prevalent use of offloading further incurs off-chip memory…

Hardware Architecture · Computer Science 2026-03-31 Songchen Ma , Hongyi Li , Weihao Zhang , Yonghao Tan , Pingcheng Dong , Yu Liu , Lan Liu , Yuzhong Jiao , Xuejiao Liu , Luhong Liang , Kwang-Ting Cheng

Mixture-of-Experts (MoE) has emerged as a practical approach to scale up parameters for the Transformer model to achieve better generalization while maintaining a sub-linear increase in computation overhead. Current MoE models are mainly…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-03 Shuqing Luo , Jie Peng , Pingzhi Li , Hanrui Wang , Tianlong Chen

Nowadays, latency-critical, high-performance applications are parallelized even on power-constrained client systems to improve performance. However, an important scenario of fine-grained tasking on simultaneous multithreading CPU cores in…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-03 Denis Los , Igor Petushkov

In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does…

Biological Physics · Physics 2009-10-30 G. La Penna , S. Letardi , V. Minicozzi , S. Morante , G. C. Rossi , G. Salina

Simulation-based Inference (SBI) is a widely used set of algorithms to learn the parameters of complex scientific simulation models. While primarily run on CPUs in HPC clusters, these algorithms have been shown to scale in performance when…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-30 Sourabh Kulkarni , Csaba Andras Moritz

To cope with the complex embedded system design, early design space exploration (DSE) is used to make design decisions early in the design phase. For early DSE it is crucial that the running time of the exploration is as small as possible.…

Performance · Computer Science 2013-08-30 P. van Stralen

We introduce Basilisk, an optimized application-specific integrated circuit (ASIC) implementation and design flow building on the end-to-end open-source Iguana system-on-chip (SoC). We present enhancements to synthesis tools and logic…

Hardware Architecture · Computer Science 2024-05-07 Phillippe Sauter , Thomas Benz , Paul Scheffler , Zerun Jiang , Beat Muheim , Frank K. Gürkaynak , Luca Benini
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