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High-performance computing (HPC) is reshaping computational drug discovery by enabling large-scale, time-efficient molecular simulations. In this work, we explore HPC-driven pipelines for Alzheimer's disease drug discovery, focusing on…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-03 Paul Ruiz Alliata , Diana Rubaga , Daniel Kumlin , Alberto Puliga

Particle tracking in large-scale numerical simulations of turbulent flows presents one of the major bottlenecks in parallel performance and scaling efficiency. Here, we describe a particle tracking algorithm for large-scale parallel…

Fluid Dynamics · Physics 2022-05-31 Cristian C. Lalescu , Bérenger Bramas , Markus Rampp , Michael Wilczek

In this paper we analyze, evaluate, and improve the performance of training generalized linear models on modern CPUs. We start with a state-of-the-art asynchronous parallel training algorithm, identify system-level performance bottlenecks,…

Machine Learning · Computer Science 2018-12-20 Nikolas Ioannou , Celestine Dünner , Kornilios Kourtis , Thomas Parnell

With the growing complexity and capability of contemporary robotic systems, the necessity of sophisticated computing solutions to efficiently handle tasks such as real-time processing, sensor integration, decision-making, and control…

Robotics · Computer Science 2025-09-09 Md Rafid Islam

The latest generation of Timepix series hybrid pixel detectors enhance particle tracking with high spatial and temporal resolution. However, their high hit-rate capability poses challenges for data processing, particularly in multidetector…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-17 Tomáš Čelko , František Mráz , Benedikt Bergmann , Petr Mánek

Processing moving object trajectories arises in many application domains and has been addressed by practitioners in the spatiotemporal database and Geographical Information System communities. In this work, we focus on a trajectory…

Databases · Computer Science 2014-09-16 Michael G. Gowanlock , Henri Casanova

We propose a probabilistic model for the parallel execution of Las Vegas algorithms, i.e., randomized algorithms whose runtime might vary from one execution to another, even with the same input. This model aims at predicting the parallel…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-24 Charlotte Truchet , Florian Richoux , Philippe Codognet

Smoothing filter is the method of choice for image preprocessing and pattern recognition. We present a new concurrent method for smoothing 2D object in binary case. Proposed method provides a parallel computation while preserving the…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-04-01 Ramzi Mahmoudi , Mohamed Akil

In this paper, we propose an empirical method for evaluating the performance of parallel code. Our method is based on a simple idea that is surprisingly effective in helping to identify causes of poor performance, such as high…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-15 Umut A. Acar , Arthur Charguéraud , Mike Rainey

Large reasoning models (LRMs) combined with retrieval-augmented generation (RAG) have enabled deep research agents capable of multi-step reasoning with external knowledge retrieval. However, we find that existing approaches rarely…

Artificial Intelligence · Computer Science 2026-05-26 Dayoon Ko , Jihyuk Kim , Haeju Park , Sohyeon Kim , Dahyun Lee , Yongrae Jo , Gunhee Kim , Moontae Lee , Kyungjae Lee

Due to their highly parallel multi-cores architecture, GPUs are being increasingly used in a wide range of computationally intensive applications. Compared to CPUs, GPUs can achieve higher performances at accelerating the programs'…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-05 Frédéric Magoulès , Abal-Kassim Cheik Ahamed , Alban Desmaison , Jean-Christophe Léchenet , François Mayer , Haifa Ben Salem , Thomas Zhu

As LLMs scale to multi-million-token KV histories, real-time autoregressive decoding under tight Token-to-Token Latency (TTL) constraints faces growing pressure. Two core bottlenecks dominate: accessing Feed-Forward Network (FFN) weights…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-11 Nidhi Bhatia , Ankit More , Ritika Borkar , Tiyasa Mitra , Ramon Matas , Ritchie Zhao , Maximilian Golub , Dheevatsa Mudigere , Brian Pharris , Bita Darvish Rouhani

Adaptive indexing is a concept that considers index creation in databases as a by-product of query processing; as opposed to traditional full index creation where the indexing effort is performed up front before answering any queries.…

Databases · Computer Science 2014-04-09 Victor Alvarez , Felix Martin Schuhknecht , Jens Dittrich , Stefan Richter

As the artificial intelligence community advances into the era of large models with billions of parameters, distributed training and inference have become essential. While various parallelism strategies-data, model, sequence, and…

Machine Learning · Computer Science 2025-03-13 Ruifeng She , Bowen Pang , Kai Li , Zehua Liu , Tao Zhong

Applications with low data reuse and frequent irregular memory accesses, such as graph or sparse linear algebra workloads, fail to scale well due to memory bottlenecks and poor core utilization. While prior work with prefetching,…

Hardware Architecture · Computer Science 2023-05-05 Marcelo Orenes-Vera , Esin Tureci , David Wentzlaff , Margaret Martonosi

In this paper we consider the problem of identifying intersections between two sets of d-dimensional axis-parallel rectangles. This is a common problem that arises in many agent-based simulation studies, and is of central importance in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-08 Moreno Marzolla , Gabriele D'Angelo

We study the problem of computing a full Conjunctive Query in parallel using $p$ heterogeneous machines. Our computational model is similar to the MPC model, but each machine has its own cost function mapping from the number of bits it…

Databases · Computer Science 2025-03-12 Simon Frisk , Paraschos Koutris

Motivated by modern parallel computing applications, we consider the problem of scheduling parallel-task jobs with heterogeneous resource requirements in a cluster of machines. Each job consists of a set of tasks that can be processed in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-03 Mehrnoosh Shafiee , Javad Ghaderi

In this work we investigate the parallel scalability of the numerical method developed in Guthrey and Rossmanith [The regionally implicit discontinuous Galerkin method: Improving the stability of DG-FEM, SIAM J. Numer. Anal. (2019)]. We…

Numerical Analysis · Mathematics 2021-02-23 Andrew J. Christlieb , Pierson T. Guthrey , James A. Rossmanith

Many techniques in program synthesis, superoptimization, and array programming require parallel rollouts of general-purpose programs. GPUs, while capable targets for domain-specific parallelism, are traditionally underutilized by such…

Programming Languages · Computer Science 2026-04-15 Breandan Considine