23 papers · ranked by Valyu relevance
Arijit Bhattacharjee, Ali TehraniJamsaz, Le Chen, Niranjan Hasabnis + 3 more
—Recent advances in large language models (LLMs) have significantly accelerated progress in code translation, enabling more accurate and efficient transformation across programming languages. While originally developed for natural language processing, LLMs have shown strong capabilities in modeling programming language…
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…
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…
Zhixin Ou, Peng Liang, Jianchen Han, Baihui Liu + 1 more
Dynamic sequences with varying lengths have been widely used in the training of Transformer-based large language models (LLMs). However, current training frameworks adopt a pre-defined static parallel strategy for these sequences, causing neither communication-parallelization cancellation on short sequences nor…
Paulo Henrique Leme Ramalho, Dennis Alves Pedersen, Fábio Andrijauskas
The complexity of biomolecular simulations has substantially increased the demand for High-Performance Computing (HPC) infrastructures, particularly in molecular dynamics and coarse-grained modeling. This work presents a systematic performance and scalability analysis of the LAMMPS simulator for coarse-grained…
Jinyang Wang, Zhugang Wang, Di Liu, Isabelle Ledoux-Rak
Ultra-high sampling rates in coherent optical front-ends increasingly exceed the processing capabilities of real-time baseband processors, creating a bottleneck in coherent free-space optical communication systems. We propose a unified state-space framework to systematically parallelize digital signal processing (DSP)…
Mohammed Alaa Ala’anzy, Nurdaulet Tolendi, Baizhan Baubek, Abdulmohsen Algarni + 1 more
Sorting can be approached in two main ways: sequentially and in parallel. In sequential sorting, data is processed in a single-threaded manner, which can be slow for large datasets. However, parallel sorting divides the task across multiple processing units, enabling faster results by processing data simultaneously.…
Ge Zhang
bcftools is the standard toolkit for handling VCF and BCF variant files, but it processes records on a single core; its --threads option speeds up only compression of the output, not the work done on variant records. Processing large call sets is therefore slow, and users often divide the genome and reassemble the…
Shiting Long, Gustavo Ramirez-Hidalgo, Andreas Frommer, Dirk Pleiter
Gauss-Seidel is a well-established iterative method for the solution of linear systems, and multicoloring has been widely used to increase parallelism in iterative solution techniques. Implementing multi-color Gauss-Seidel with conventional divide-and-conquer parallelization strategies, however, may be inefficient due…
Elwood, Alex, Tom Deakin, Justin Lovegrove + 1 more
Discrete ordinates S N transport solvers on unstructured meshes pose a challenge to scale due to complex data dependencies, memory access patterns and a highdimensional domain. In this paper, we review the performance bottlenecks within the shared memory parallelization scheme of an existing transport solver on modern…
Michael T. Goodrich, Vinesh Sridhar
Embedded systems and Internet of Things (IoT) applications motivate in-place parallel algorithms, which avoid allocating additional shared memory past the input. Work by Gu, Obeya, and Shun [APOCS '21] defines a family of PIP (parallel in-place) models and parallel algorithms that eschew auxiliary memory at high…
Zhejian Yu
Fast simulation of next-generation sequencing (NGS) data is vital for software development and benchmarking. Here we describe art_modern, an accelerated ART simulator that can simulate various NGS data. We accelerated ART using updated sampling algorithms, single-instruction multiple-data (SIMD) instruction-set…
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…
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.…
Christoph Stelz, Lukas Hübner, Alexandros Stamatakis, Russell Schwartz
Given an input array of elements $E=[e_{0},e_{1},…,e_{n-1}]$, distributed across p processing elements (PEs; e.g. processes or threads), we desire to compute $r=e_{0}⊕e_{1}⊕…⊕e_{n-1}$, where $⊕$ denotes a binary, associative operation (e.g. summation or multiplication). In a distributed reduction, we return the result…
Rob Patro, Siddhant Bharti, Prajwal Singhania, Rakrish Dhakal + 2 more
The FASTQ file format is the lingua franca of primary data distribution and processing across most of bioinformatics. Over time, the compression, storage, transmission, and decompression of gzip compressed fastq.gz files has become a substantial scalability bottleneck in the modern world of fast and massively parallel…
Ran Ginosar
I have greatly enjoyed spending many years in studying parallel computing. My journey goes thorough MP-C, PLURAL, Async Plural, HAL, RC64 and more. As a PhD student at Princeton I studied a combination of shared memory and message passing, motivated by algorithms and the ease of programming. While at the Technion, a…
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…
Mateusz Gruzewski, Marek Palkowski, Ramon Antonio Rodriges Zalipynis
In this article, we present an efficient and concise OpenMP implementation of the Nussinov RNA folding algorithm, a well-known representative of non-serial polyadic dynamic programming (NPDP). Our goal is to develop an optimized implementation that can serve as a template for related dynamic programming applications.…
Authors not listed
The complete active space self-consistent field (CASSCF) method is essential for describing complex photochemical processes, but its application in ab initio molecular dynamics is often limited by the computational cost associated with four-center two-electron repulsion integrals (ERIs). We present the first…
Authors not listed
Background: Pharmaceutical batch scheduling in multi-reactor configurations presents complex optimization challenges under operational uncertainty, yet limited research addresses how parallel processing capacity affects heuristic performance and predictive modeling. Objectives: This study investigated scheduling…
Anders Pitman, Cathy Yang, Yi Qiao
Next-generation sequencing now produces whole-genome data in hours, but downstream variant calling remains a multi-hour to multi-day bottleneck that excludes genomic analysis from time-critical clinical settings. GPU acceleration offers a natural path forward — variant calling is inherently parallelizable across…
Authors not listed
Machine olfaction—the artificial replication of the sense of smell—faces significant challenges due to the absence of large, standardized training datasets. Unlike vision, language, and audio models, which benefit from extensive corpora such as ImageNet, GLUE, and AudioSet, olfaction lacks scaled equivalents and…