NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 10(8) neurons and 10(12) synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience.
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http://dx.doi.org/10.3389/fninf.2012.00026 | DOI Listing |
Sci Data
January 2025
Luxembourg Institute of Science and Technology, Esch-sur-Alzette, Luxembourg.
To ensure the fairness and trustworthiness of machine learning (ML) systems, recent legislative initiatives and relevant research in the ML community have pointed out the need to document the data used to train ML models. Besides, data-sharing practices in many scientific domains have evolved in recent years for reproducibility purposes. In this sense, academic institutions' adoption of these practices has encouraged researchers to publish their data and technical documentation in peer-reviewed publications such as data papers.
View Article and Find Full Text PDFBioinformatics
November 2024
Department of Cell and Molecular Biology, Uppsala University, BMC - Box 596, Uppsala, SE 751 24, Sweden.
Summary: Memprot.GPCR-ModSim leverages our previous web-based protocol, which was limited to class-A G protein-coupled receptors, to become the first one-stop web server for the modelling and simulation of any membrane protein system. Motivated by the exponential growth of experimental structures and the breakthrough of deep-learning-based structural modelling, the server accepts as input either a membrane-protein sequence, in which case it reports the associated AlphaFold model, or a 3D (experimental, modelled) structure, including quaternary complexes with associated proteins and/or ligands of any kind.
View Article and Find Full Text PDFLancet
November 2024
Institute for Global Health, University College London, London, UK.
Bioinformatics
November 2024
Department of Computer Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain.
Motivation: Recent advances in sequencing technologies have stressed the critical role of sequence analysis algorithms and tools in genomics and healthcare research. In particular, sequence alignment is a fundamental building block in many sequence analysis pipelines and is frequently a performance bottleneck both in terms of execution time and memory usage. Classical sequence alignment algorithms are based on dynamic programming and often require quadratic time and memory with respect to the sequence length.
View Article and Find Full Text PDFNucleic Acids Res
September 2024
Data Science in Systems Biology, School of Life Sciences, Technical University of Munich, Freising, Germany.
Most heritable diseases are polygenic. To comprehend the underlying genetic architecture, it is crucial to discover the clinically relevant epistatic interactions (EIs) between genomic single nucleotide polymorphisms (SNPs) (1-3). Existing statistical computational methods for EI detection are mostly limited to pairs of SNPs due to the combinatorial explosion of higher-order EIs.
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