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This report presents the implementation of a protein sequence comparison algorithm specifically designed for speeding up time consuming part on parallel hardware such as SSE instructions, multicore architectures or graphic boards. Three…

定量方法 · 定量生物学 2008-12-18 Van Hoa Nguyen , Dominique Lavenier

Enzymes and proteins are live driven biochemicals, which has a dramatic impact over the environment, in which it is active. So, therefore, it is highly looked-for to build such a robust and highly accurate automatic and computational model…

生物大分子 · 定量生物学 2021-01-11 Zaheer Ullah Khan , Dechang Pi , Izhar Ahmed Khan , Asif Nawaz , Jamil Ahmad , Mushtaq Hussain

We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a…

生物物理 · 物理学 2013-08-13 Jacek Wabik , Sebastian Kmiecik , Dominik Gront , Maksim Kouza , Andrzej Kolinski

We present a data-parallel software package for fitting Gaussian Approximation Potentials (GAPs) on multiple nodes using the ScaLAPACK library with MPI and OpenMP. Until now the maximum training set size for GAP models has been limited by…

材料科学 · 物理学 2022-11-14 Sascha Klawohn , James R. Kermode , Albert P. Bartók

Classification in the dissimilarity space has become a very active research area since it provides a possibility to learn from data given in the form of pairwise non-metric dissimilarities, which otherwise would be difficult to cope with.…

The surge in availability of genomic data holds promise for enabling determination of genetic causes of observed individual traits, with applications to problems such as discovery of the genetic roots of phenotypes, be they molecular…

分布式、并行与集群计算 · 计算机科学 2018-04-23 Wayne Joubert , James Nance , Deborah Weighill , Daniel Jacobson

Similar to algorithms, which consume time and memory to run, hardware requires resources to function. For devices processing physical waves, implementing operations needs sufficient "space," as dictated by wave physics. How much space is…

光学 · 物理学 2025-01-20 Yandong Li , Francesco Monticone

De novo assembly enables investigations of unknown genomes, paving the way for personalized medicine and disease management. However, it faces immense computational challenges arising from the excessive data volumes and algorithmic…

In this work, we present HiAER-Spike, a modular, reconfigurable, event-driven neuromorphic computing platform designed to execute large spiking neural networks with up to 160 million neurons and 40 billion synapses - roughly twice the…

Identifying similar protein sequences is a core step in many computational biology pipelines such as detection of homologous protein sequences, generation of similarity protein graphs for downstream analysis, functional annotation and gene…

分布式、并行与集群计算 · 计算机科学 2020-10-01 Oguz Selvitopi , Saliya Ekanayake , Giulia Guidi , Georgios Pavlopoulos , Ariful Azad , Aydin Buluc

The Internet of Things (IoT) makes use of ubiquitous internet connectivity to form a network of everyday physical objects for purposes of automation, remote data sensing and centralized management/control. IoT objects need to be embedded…

信号处理 · 电气工程与系统科学 2018-02-21 Prasanna Kansakar , Arslan Munir

The rising use of deep learning and other big-data algorithms has led to an increasing demand for hardware platforms that are computationally powerful, yet energy-efficient. Due to the amount of data parallelism in these algorithms,…

分布式、并行与集群计算 · 计算机科学 2019-10-08 Biresh Kumar Joardar , Ryan Gary Kim , Janardhan Rao Doppa , Partha Pratim Pande , Diana Marculescu , Radu Marculescu

As an important application of spatial databases in pathology imaging analysis, cross-comparing the spatial boundaries of a huge amount of segmented micro-anatomic objects demands extremely data- and compute-intensive operations, requiring…

数据库 · 计算机科学 2012-08-02 Kaibo Wang , Yin Huai , Rubao Lee , Fusheng Wang , Xiaodong Zhang , Joel H. Saltz

Soft robots promise inherent safety via their material compliance for seamless interactions with humans or delicate environments. Yet, their development is challenging because it requires integrating materials, geometry, actuation, and…

Query co-processing on graphics processors (GPUs) has become an effective means to improve the performance of main memory databases. However, the relatively low bandwidth and high latency of the PCI-e bus are usually bottleneck issues for…

分布式、并行与集群计算 · 计算机科学 2016-11-26 Jiong He , Mian Lu , Bingsheng He

Optical computing has been recently proposed as a new compute paradigm to meet the demands of future AI/ML workloads in datacenters and supercomputers. However, proposed implementations so far suffer from lack of scalability, large…

硬件体系结构 · 计算机科学 2022-10-21 Daniel Sturm , Sajjad Moazeni

As quantum computers continue to improve and support larger, more complex computations, smart control hardware and compilers are needed to efficiently leverage the capabilities of these systems. This paper introduces a novel approach to…

量子物理 · 物理学 2025-11-19 Folkert de Ronde , Alexander Knapen , Stephan Wong , Sebastian Feld

As AI-enabled software systems become more prevalent in smart manufacturing, their role shifts from a reactive to a proactive one that provides context-specific support to machine operators. In the context of an international research…

软件工程 · 计算机科学 2022-06-01 Philipp Haindl , Thomas Hoch , Javier Dominguez , Julen Aperribai , Nazim Kemal Ure , Mehmet Tunçel

A core problem in hardware-software codesign is in the sheer size of the design space. Without a set ISA to constrain the hardware-software interface, the design space explodes. This work presents a strategy for managing the massive…

分布式、并行与集群计算 · 计算机科学 2020-03-03 Gus Smith , Zachary Tatlock , Luis Ceze

The energy-efficient Adapteva Epiphany architecture exhibits massive many-core scalability in a physically compact 2D array of RISC cores with a fast network-on-chip (NoC). The architecture presents many features and constraints which…

分布式、并行与集群计算 · 计算机科学 2017-01-18 David A. Richie , James A. Ross