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Microbiome studies have recently transitioned from experimental designs with a few hundred samples to designs spanning tens of thousands of samples. Modern studies such as the Earth Microbiome Project (EMP) afford the statistics crucial for…

基因组学 · 定量生物学 2021-11-02 Igor Sfiligoi , Daniel McDonald , Rob Knight

The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…

化学物理 · 物理学 2025-06-10 Zhichen Pu , Qiming Sun

Biological organisms must perform computation as they grow, reproduce, and evolve. Moreover, ever since Landauer's bound was proposed it has been known that all computation has some thermodynamic cost -- and that the same computation can be…

其他定量生物学 · 定量生物学 2018-02-07 Christopher P. Kempes , David Wolpert , Zachary Cohen , Juan Pérez-Mercader

Finite-difference methods based on high-order stencils are widely used in seismic simulations, weather forecasting, computational fluid dynamics, and other scientific applications. Achieving HPC-level stencil computations on one…

分布式、并行与集群计算 · 计算机科学 2024-07-09 Ryuichi Sai , John Mellor-Crummey , Jinfan Xu , Mauricio Araya-Polo

Computing has a huge memory problem. The memory system, consisting of multiple technologies at different levels, is responsible for most of the energy consumption, performance bottlenecks, robustness problems, monetary cost, and hardware…

硬件体系结构 · 计算机科学 2025-09-05 Onur Mutlu , Ataberk Olgun , Ismail Emir Yuksel

The emergence of "big data" offers unprecedented opportunities for not only accelerating scientific advances but also enabling new modes of discovery. Scientific progress in many disciplines is increasingly enabled by our ability to examine…

计算机与社会 · 计算机科学 2017-07-03 Vasant G. Honavar , Mark D. Hill , Katherine Yelick

There are high technological and software demands associated with conducting brain-computer interface (BCI) research. In order to accelerate the development and accessibility of BCI, it is worthwhile to focus on open-source and desired…

Quantum computers can in principle solve certain problems exponentially more quickly than their classical counterparts. We have not yet reached the advent of useful quantum computation, but when we do, it will affect nearly all scientific…

Data-parallel problems demand ever growing floating-point (FP) operations per second under tight area- and energy-efficiency constraints. In this work, we present Manticore, a general-purpose, ultra-efficient chiplet-based architecture for…

硬件体系结构 · 计算机科学 2020-11-23 Florian Zaruba , Fabian Schuiki , Luca Benini

Stencil computation is one of the most used kernels in a wide variety of scientific applications, ranging from large-scale weather prediction to solving partial differential equations. Stencil computations are characterized by three unique…

硬件体系结构 · 计算机科学 2023-09-07 Alain Denzler , Rahul Bera , Nastaran Hajinazar , Gagandeep Singh , Geraldo F. Oliveira , Juan Gómez-Luna , Onur Mutlu

Algorithm research focuses primarily on how many operations processors need to do (time complexity). But for many problems, both the runtime and energy used are dominated by memory accesses. In this paper, we present the first broad survey…

数据结构与算法 · 计算机科学 2025-12-01 Hayden Rome , Jayson Lynch , Jeffery Li , Chirag Falor , Neil Thompson

In the Python world, NumPy arrays are the standard representation for numerical data. Here, we show how these arrays enable efficient implementation of numerical computations in a high-level language. Overall, three techniques are applied…

数学软件 · 计算机科学 2011-03-14 Stefan Van Der Walt , S. Chris Colbert , Gaël Varoquaux

quest for processing speed potential. In fact, we always get a fraction of the technically available computing power (so-called {\em theoretical peak}), and the gap is likely to go hand-to-hand with the hardware complexity of the target…

分布式、并行与集群计算 · 计算机科学 2021-06-23 Claude Tadonki

Programming is ubiquitous in applied biostatistics; adopting software engineering skills will help biostatisticians do a better job. To explain this, we start by highlighting key challenges for software development and application in…

A parallel code has been written in FORTRAN90, C, and MPI for the analysis of biological simulation data. Using a master/slave algorithm, the software operates on AMBER generated trajectory data using either UNIX or MPI file IO, and it…

计算物理 · 物理学 2008-08-25 David N. Lebard

Training machine learning algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from costly…

Low-cost, high-throughput DNA and RNA sequencing (HTS) data is the backbone of the life sciences. Genome sequencing is now becoming a part of Predictive, Preventive, Personalized, and Participatory (termed 'P4') medicine. All genomic data…

Python is a popular programming language known for its ease of learning and extensive libraries. However, concerns about performance and energy consumption have led to the development of compilers to enhance Python code efficiency. Despite…

编程语言 · 计算机科学 2025-05-06 Vincenzo Stoico , Andrei Calin Dragomir , Patricia Lago

To execute scientific computing programs such as deep learning at high speed, GPU acceleration is a powerful option. With the recent advancements in web technologies, interfaces like WebGL and WebGPU, which utilize GPUs on the client side…

分布式、并行与集群计算 · 计算机科学 2025-03-04 Masatoshi Hidaka , Tatsuya Harada

Processing-in-memory (PIM) promises to alleviate the data movement bottleneck in modern computing systems. However, current real-world PIM systems have the inherent disadvantage that their hardware is more constrained than in conventional…

数学软件 · 计算机科学 2023-09-07 Maurus Item , Juan Gómez-Luna , Yuxin Guo , Geraldo F. Oliveira , Mohammad Sadrosadati , Onur Mutlu