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Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…

Compound AI systems, orchestrating multiple AI components and external APIs, are increasingly vital but face challenges in managing complexity, handling ambiguity, and enabling effective development workflows. Existing frameworks often…

Artificial Intelligence · Computer Science 2025-04-08 Helena Zhang , Jakobi Haskell , Yosef Frost

In practice, standard scheduling of parallel computing jobs almost always leaves significant portions of the available hardware unused, even with many jobs still waiting in the queue. The simple reason is that the resource requests of these…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-04 Florian Spenke , Karsten Balzer , Sascha Frick , Bernd Hartke , Johannes M. Dieterich

Compound AI applications chain together subcomponents such as generative language models, document retrievers, and embedding models. Applying traditional systems optimizations such as parallelism and pipelining in compound AI systems is…

High performance computing has been used in various fields of astrophysical research. But most of it is implemented on massively parallel systems (supercomputers) or graphical processing unit clusters. With the advent of multicore…

Instrumentation and Methods for Astrophysics · Physics 2013-07-30 Navtej Singh , Lisa-Marie Browne , Ray Butler

The complexity of heterogeneous computing architectures, as well as the demand for productive and portable parallel application development, have driven the evolution of parallel programming models to become more comprehensive and complex…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-31 Anjia Wang , Xinyao Yi , Yonghong Yan

Interest in applying Artificial Intelligence (AI) techniques to compiler optimizations is increasing rapidly, but compiler research has a high entry barrier. Unlike in other domains, compiler and AI researchers do not have access to the…

With the rise of software-as-a-service and microservice architectures, RESTful APIs are now ubiquitous in mobile and web applications. A service can have tens or hundreds of API methods, making it a challenge for programmers to find the…

Programming Languages · Computer Science 2022-04-06 Zheng Guo , David Cao , Davin Tjong , Jean Yang , Cole Schlesinger , Nadia Polikarpova

In this work, we present an extension of Gaussian process (GP) models with sophisticated parallelization and GPU acceleration. The parallelization scheme arises naturally from the modular computational structure w.r.t. datapoints in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-10-21 Zhenwen Dai , Andreas Damianou , James Hensman , Neil Lawrence

Space-filling experimental design techniques are commonly used in many computer modeling and simulation studies to explore the effects of inputs on outputs. This research presents raxpy, a Python package that leverages expressive annotation…

Mathematical Software · Computer Science 2025-01-08 Neil Ranly , Torrey Wagner

This paper introduces a parallel and asynchronous Transformer framework designed for efficient and accurate multilingual lip synchronization in real-time video conferencing systems. The proposed architecture integrates translation, speech…

Multimedia · Computer Science 2025-12-23 Eren Caglar , Amirkia Rafiei Oskooei , Mehmet Kutanoglu , Mustafa Keles , Mehmet S. Aktas

As inference workloads for large language models (LLMs) scale to meet growing user demand, pipeline parallelism (PP) has become a widely adopted strategy for multi-GPU deployment, particularly in cross-node setups, to improve key-value (KV)…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-30 Yongchao He , Bohan Zhao , Zheng Cao

Frontier models increasingly adopt Mixture-of-Experts (MoE) architectures to achieve large-model performance at reduced cost. However, training MoE models on HPC platforms is hindered by large memory footprints, frequent large-scale…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-07 Sajal Dash , Feiyi Wang

We introduce PrivPy, a practical privacy-preserving collaborative computation framework, especially optimized for machine learning tasks. PrivPy provides an easy-to-use and highly compatible Python programming front-end which supports…

Cryptography and Security · Computer Science 2020-04-22 Yi Li , Yitao Duan , Yu Yu , Shuoyao Zhao , Wei Xu

Tuning hyperparameters for machine learning algorithms is a tedious task, one that is typically done manually. To enable automated hyperparameter tuning, recent works have started to use techniques based on Bayesian optimization. However,…

Machine Learning · Computer Science 2020-05-26 Sandeep Singh Sandha , Mohit Aggarwal , Igor Fedorov , Mani Srivastava

Peptide Optimization is a highly complex problem and it takes very long time of computation. This optimization process uses many software applications in a cluster running GNU/Linux Operating System that perform special tasks. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2009-12-05 Andias Wira-Alam

Voice data is increasingly being used in modern digital communications, yet there is still a lack of comprehensive tools for automated voice analysis and characterization. To this end, we developed the VANPY (Voice Analysis in Python)…

Sound · Computer Science 2025-05-06 Gregory Koushnir , Michael Fire , Galit Fuhrmann Alpert , Dima Kagan

Combinatorial group testing reduces screening costs and turnaround time but remains challenging to apply due to design complexity, varying applicability, and lack of implementation tools. Here we present PoolPy, a unified end-to-end…

Information Theory · Computer Science 2026-02-26 Lorenzo Talamanca , Julian Trouillon

Efficient parallelization of algorithms on general-purpose GPUs is essential in many areas today. However, it is a non-trivial task for software engineers to utilize GPUs to improve the performance of high-level programs in general.…

Programming Languages · Computer Science 2024-07-09 Lars Hummelgren , John Wikman , Oscar Eriksson , Philipp Haller , David Broman

Writing efficient hybrid parallel code is tedious, error-prone, and requires good knowledge of both parallel programming and multithreading such as MPI and OpenMP, resp. Therefore, we present a framework which is based on a job model that…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-03 Ralf-Peter Mundani , Marko Ljucović , Ernst Rank