24 papers · ranked by Valyu relevance
Jose L Figueroa, Richard Allen White
We now exist in the era of massive datasets from genomics, large language models, and all the known knowledge of humanity right at our fingertips. Much of this data is becoming more accessible; however, processing such data remains an ongoing issue across systems including high performance computing (HPC)…
Priyanka Ghosh, Xiaojing An, Patrick Keppler, Sureyya Emre Kurt + 5 more
De novo genome assembly is a fundamental problem in computational molecular biology that aims to reconstruct an unknown genome sequence from a set of short DNA sequences (or reads) obtained from the genome. High throughput sequencers could generate several billions of such short reads in a single run. However, the…
Christos Tsolakis, Polykarpos Thomadakis, Nikos Chrisochoides
Handling the ever-increasing complexity of mesh generation codes along with the intricacies of newer hardware often results in codes that are both difficult to comprehend and maintain. Different facets of codes such as thread management and load balancing are often intertwined, resulting in efficient but highly complex…
Jing Hou, Guang Chen, Ruiqi Zhang, Zhijun Li + 2 more
'Changjun Jiang'] Abstract—The promotion of large-scale applications of reinforcement learning (RL) requires efficient training computation. While existing parallel RL frameworks encompass a variety of RL algorithms and parallelization techniques, the excessively burdensome communication frameworks hinder the…
Krzysztof Stuglik, Piotr Listkiewicz, Mateusz Kulczyk, Marcin Pietroń
'Marcin Pietroń'] Manual translation of the algorithms from sequential version to its parallel counterpart is time consuming and can be done only with the specific knowledge of hardware accelerator architecture, parallel programming or programming environment. The automation of this process makes porting the code much…
Asif Adil, Namrata Bhattacharya, Mohammed Asger
As the field of single-cell genomics continues to develop, the generation of large-scale scRNA-seq datasets has become more prevalent. While these datasets offer tremendous potential for shedding light on the complex biology of individual cells, the sheer volume of data presents significant challenges for management…
Rafael Terra, Diego Carvalho, Denis Jacob Machado, Carla Osthoff + 1 more
Advances in High-Performance Computing (HPC) have enabled increasingly complex genomic analyses, including those in phylogenomics. These analyses contribute to understanding the evolution of viruses and pathogens, improving our knowledge of disease transmission, and supporting targeted public health strategies.…
Denis Los, Igor Petushkov
Cores Authors: ['Denis Los' 'Igor Petushkov'] Abstract—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 such systems has not been…
Authors not listed
With the ever-increasing demand for atomistic structures representative of real-life systems as well as the ad-vent of exascale computers, it has now become necessary and possible to use advanced global optimization (GO) techniques to intelligently sample the potential energy surface (PES). Given the previous studies…
Ahmed Hadi Ali AL-Jumaili, Ravie Chandren Muniyandi, Mohammad Kamrul Hasan, Johnny Koh Siaw Paw + 2 more
Traditional parallel computing for power management systems has prime challenges such as execution time, computational complexity, and efficiency like process time and delays in power system condition monitoring, particularly consumer power consumption, weather data, and power generation for detecting and predicting…
Authors not listed
Recent advances in machine learning force fields (MLFF) have significantly extended the reach of atomistic simulations. Continuous progress in this field requires reliable reference datasets, accurate MLFF architectures, and efficient active learning strategies to enable robust modeling of complex molecular and…
Paul Cardosi, Bérenger Bramas, Bilal Alatas
Parallelization is needed everywhere, from laptops and mobile phones to supercomputers. Among parallel programming models, task-based programming has demonstrated a powerful potential and is widely used in high-performance scientific computing. Not only does it allow efficient parallelization across distributed…
Wang, Haitian, Qin, Long
This paper presents an in-depth investigation into the high-performance parallel optimization of the Fish School Behaviour (FSB) algorithm on the Setonix supercomputing platform using the OpenMP framework. Given the increasing demand for enhanced computational capabilities for complex, large-scale calculations across…
Bahman Arasteh, Seyed Salar Sefati, Huseyin Kusetogullari, Farzad Kiani + 3 more
Efficient task scheduling remains a key challenge in High-Performance Computing and Internet of Things (IoT) systems, where the sequential execution of nested loops often limits parallelism. This paper proposes a hybrid approach that dynamically parallelizes nested loops in heterogeneous IoT environments. The suggested…
Ashish Chapagain, Dima Abuoliem, In Ho Cho, Tongbiao Wang
Multifunctional nanosurfaces receive growing attention due to their versatile properties. Capillary force lithography (CFL) has emerged as a simple and economical method for fabricating these surfaces. In recent works, the authors proposed to leverage the evolution strategies (ES) to modify nanosurface characteristics…
Zeyu Xia, Canqun Yang, Chenchen Peng, Yifei Guo + 3 more
'Tao Tang' 'Yingbo Cui'] Background The advent of Single Molecule Real-Time (SMRT) sequencing has overcome many limitations of second-generation sequencing, such as limited read lengths, PCR amplification biases. However, longer reads increase data volume exponentially and high error rates make many existing alignment…
Authors not listed
Fragment-based quantum chemistry offer a means to circumvent the nonlinear computational scaling of conventional electronic structure calculations by partitioning a large calculation into smaller subsystems, then considering the many-body interactions between them. Variants of this approach have been used to…
Cristian Vidal-Silva, Vannessa Duarte, Jesennia Cárdenas-Cobo, Iván Veas
Parallel computing is a current algorithmic approach to looking for efficient solutions; that is, to define a set of processes in charge of performing at the same time the same task. Advances in hardware permit the massification of accessibility to and applications of parallel computing. Nonetheless, some algorithms…
Drew E. Winters
Studying flexible, adaptive transitions between cognitive tasks and serial-parallel processing under changing task demands has been a central focus for understanding human cognition. Advances in neuroimaging analysis have improved the ability to link cognition with brain function, providing a foundation for developing…
Authors not listed
Self-driving laboratories (SDLs) promise accelerated scientific discovery and product development by closing the loop between robotic execution and AI/ML-driven decision making. In practice, however, SDL orchestration remains fragmented; workflows are typically encoded as laboratory-specific scripts or bespoke…
Patrick McKeever, Varun Mittal, Bryce Fukuda, Ka Yee Yeung + 1 more
The exponential growth of omics data requires novel strategies for storage, transfer, and processing of said data. We present a scheduler based on the Temporal.io workflow framework which enables two key optimizations of bioinformatics workflows. Firstly, we enable users to transparently map workflow steps to diverse…
Authors not listed
Bayesian optimization (BO) has become increasingly important for experimental optimization across scientific domains, yet implementing BO pipelines requires significant programming expertise and familiarity with specialized frameworks. This creates a barrier for domain experts who could benefit from BO but lack the…
Authors not listed
This study presents a novel application of Multi-Objective Bayesian Optimization (MOBO) to enhance the formulation of flame-retardant polypropylene (PP) composites. Our goal was to optimize the chemical composition of intumescent polypropylene (PP) formulations by maximizing the Limiting Oxygen Index (LOI) and…
Authors not listed
The analysis of molecular dynamics (MD) simulations is a critical but fragmented process, often requiring researchers to chain together multiple software tools and write bespoke scripts for routine structural and dynamic analyses. This workflow complexity creates a significant barrier to efficiency, standardization…