27 papers · ranked by Valyu relevance
Guido Schryen
In high performance computing environments, we observe an ongoing increase in the available number of cores. For example, the current TOP500 list reveals that nine clusters have more than 1 million cores. This development calls for re-emphasizing performance (scalability) analysis and speedup laws as suggested in the…
Alexander Ngu
This paper uses the concept of algorithmic efficiency to present a unified theory of intelligence. Intelligence is defined informally, formally, and computationally. We introduce the concept of Dimensional complexity in algorithmic efficiency and deduce that an optimally efficient algorithm has zero Time complexity…
Yasir Afzal, Naila Nawaz, Abdullah Ayub Khan, Muhammad Jawad Yousaf + 6 more
Data center management, the foundation of contemporary cloud computing, has made energy saving a top priority. Among other difficulties, the placement of virtual machines (VMs) has a major impact on data center resource and energy usage. Assigning VMs to physical machines (PMs) is a challenging NP-hard problem…
János Végh, Ádám József Berki
In all kinds of implementations of computing, whether technological or biological, some material carrier for the information exists, so in real-world implementations, the propagation speed of information cannot exceed the speed of its carrier. Because of this limitation, one must also consider the transfer time between…
Xuzhen He, Viacheslav Kovtun
The recent dramatic progress in machine learning is partially attributed to the availability of high-performant computers and development tools. The accelerated linear algebra (XLA) compiler is one such tool that automatically optimises array operations (mostly fusion to reduce memory operations) and compiles the…
Authors not listed
Accurate and efficient calculation of alchemical free energies is a critical challenge in computational chemistry, frequently hindered by the inherent limitations of conventional Thermodynamic Integration (TI) methods. These limitations include poor phasespace overlap between discrete alchemical states, inefficient…
Marco Savioli, Paolo Calligari, Ugo Locatelli, Gianfranco Bocchinfuso
We introduce GROMODEX, a novel tool designed to optimise GROMACS molecular dynamics (MD) simulations using a structured Design of Experiments (DoE) approach. GROMACS, though efficient, requires extensive tuning of parameters to perform optimally on different hardware and molecular systems. Manual tuning is tedious and…
ZiChuan He, Hui Zhong, XiaoHua Shi, ChangHai Zhao + 2 more
Deep neural networks (DNNs) are computationally intensive and optimized in different ways. Some compiler optimizations for DNNs could achieve performance almost the same as, or even better than, manual optimizations. However, the former mechanisms usually require an unbearably long optimization time in the tuning…
Stephan Grein, David R. Penas, Daniel Weindl, Polina Lakrisenko + 2 more
Dynamic models are central to the computational life sciences but typically contain unknown parameters that must be inferred from experimental data. High-throughput measurements have made this task increasingly challenging, yielding high-dimensional search spaces and non-convex objectives with many local optima. This…
Nikolay Kuzmin, Danila S. Sirotin, А. В. Хоперсков
> Abstract. Modeling of collisionless galactic systems is based on the Nbody model, which requires large computational resources due to the longrange nature of gravitational forces. The most common method for calculating gravity is the TreeCode algorithm, which provides a faster calculation of the force compared to the…
Authors not listed
Molecular Dynamics (MD) simulations are essential for studying the time evolution of molecular systems. Still, their efficiency is often bottlenecked by file-based Inter-Process Communication (IPC) between MD and Electronic Structure (ES) programs. We present a socket-based IPC implementation that dramatically…
Xinyang Gu, Zhansheng Duan, Guangyuan Ye, Zhenjun Chang + 1 more
'Charith Perera'] For public security purposes, distributed surveillance systems are widely deployed in key areas. These systems comprise visual sensors, edge computing boxes, and cloud servers. Resource scheduling algorithms are critical to ensure such systems’ robustness and efficiency. They balance workloads and…
Ran Ginosar
When a single core is scaled up to m cores occupying the same chip area and executing the same (parallelizable) task, achievable speedup is √, power is reduced by √ and energy is reduced by m. Thus, many-core architectures can efficiently outperform architectures of a single core and a small-count multi-core.
Qin Li, Xin Zhu, Wenxi Chen, Anand Prakash Singh
Background: The simulation of electrophysiological cardiac models plays an important role in facilitating the investigation of cardiac behavior under various conditions. However, these simulations often require a lot of computational resources. Methods: To address this challenge, this study introduced a method for…
Authors not listed
The era of exascale computing presents both exciting opportunities and unique challenges for quantum mechanical simulations. While the transition from petaflops to exascale computing has been marked by a steady increase in computational power, the shift towards heterogeneous architectures, particularly the dominant…
Kayson Fakhar, Danyal Akarca, Andrea I. Luppi, Stuart Oldham + 5 more
Brains are often described as cost-efficient communication networks, optimally balancing the cost of long connections with the benefits of fast communication. Here, inspired by the “use it or lose it” principle, we present a novel game-theoretic model of self-organizing neural units and show that the brain is, in fact…
William Dorrell, Peter E. Latham, Timothy E. J. Behrens, James C. R. Whittington
The efficient coding hypothesis presents a compelling success story for theoretical and systems neuroscience. It marshals a unifying idea, that neural codes can be understood as efficient encodings of natural stimuli, to explain phenomena from across sensory systems, sometimes with exquisite precision. However, similar…
Authors not listed
Stochastic Simulation Algorithms (SSA) are a cornerstone in simulating Free Radical Polymerization (FRP) due to their accuracy and reliability. However, computational inefficiency remains a challenge for large-scale and complex polymerization systems. This work introduces a novel stochastic simulation algorithm…
Eugene Christo V R, Christoph Robert Meinecke, Bert Nitzsche, Roman Lyttleton + 5 more
Network-based biocomputing (NBC) presents an energy-efficient, parallel computing approach for solving nondeterministic polynomial time (NP) complete problems by leveraging motor-driven cytoskeletal filaments that explore all possible solutions through nanofabricated networks in a massively parallel fashion. However…
Lauritz Thamsen, Yehia Elkhatib, Paul Harvey, Syed Waqar Nabi + 2 more
Scientific research in many fields routinely requires the analysis of large datasets, and scientists often employ workflow systems to leverage clusters of computers for their data analysis. However, due to their size and scale, these workflow applications can have a considerable environmental footprint in terms of…
Authors not listed
Accurate and efficient computations of standard enthalpies of formation (Hf) for small organic molecules are crucial for diverse chemical engineering and scientific applications. Building on part 1 of this work [J. Phys. Chem. A 2024, 128, 21, 4335–4352], we systematically benchmark 284 model chemistries for Hf…
Aishwarya R., Mathivanan G., Bilal Alatas
Background The realization of computation-intensive applications such as real-time video processing, virtual/augmented reality, and face recognition becomes possible for mobile devices with the latest advances in communication technologies. This application requires complex computation for better user experience and…
Authors not listed
Molecular dynamics (MD) simulations are essential for investigating complex bi- ological systems. Timestep selection is crucial for accuracy and efficiency, yet the common practice of using a 4 fs timestep with hydrogen mass repartitioning (HMR) and SHAKE for alchemical free energy (AFE) calculations requires further…
Ami Marowka
Portability Authors: ['Ami Marowka'] Abstract. The emergence of heterogeneity in high-performance computing, which harnesses under one integrated system several platforms of different architectures, also led to the development of innovative crossplatform programming models. Along with the expectation that these models…
Qiliang Xu, Guo Zhang, Jianping Wang, Alessandra Rizzardi
In the Internet of Vehicles scenario, the in-vehicle terminal cannot meet the requirements of computing tasks in terms of delay and energy consumption; the introduction of cloud computing and MEC is an effective way to solve the above problem. The in-vehicle terminal requires a high task processing delay, and due to…
Bastian Wiederhold, Martin Stemmler, Andreas V.M. Herz
While our senses transmit information at rates exceeding 10^6^ bit/s, high-level cognitive processing is thought to be much slower, on the order of 10 bit/s regardless of the task^1^. It is unclear, though, whether this limit holds when the human mind is challenged. To test how fast one can process abstract…
Lewis Grozinger, Jesús Miró-Bueno, Ángel Goñi-Moreño
The programming of computations in living cells can be done by manipulating information flows within genetic networks. Typically, a single bit of information is encoded by a single gene’s steady state expression. Expression is discretized into high and low levels that correspond to 0 and 1 logic values, analogous to…