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Mass spectrometry, commonly used for protein identification, generates a massive number of spectra that need to be matched against a large database. In reality, most of them remain unidentified or mismatched due to unexpected…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-03 Jaeyoung Kang , Weihong Xu , Wout Bittremieux , Tajana Rosing

Open Modification Search (OMS) is a promising algorithm for mass spectrometry analysis that enables the discovery of modified peptides. However, OMS encounters challenges as it exponentially extends the search scope. Existing OMS…

Hardware Architecture · Computer Science 2024-11-15 Keming Fan , Wei-Chen Chen , Sumukh Pinge , H. -S. Philip Wong , Tajana Rosing

Mass spectrometry-based proteomics is a key enabler for personalized healthcare, providing a deep dive into the complex protein compositions of biological systems. This technology has vast applications in biotechnology and biomedicine but…

Quantitative Methods · Quantitative Biology 2023-11-23 Sumukh Pinge , Weihong Xu , Jaeyoung Kang , Tianqi Zhang , Neima Moshiri , Wout Bittremieux , Tajana Rosing

Mass spectrometry (MS) is essential for proteomics and metabolomics but faces impending challenges in efficiently processing the vast volumes of data. This paper introduces SpecPCM, an in-memory computing (IMC) accelerator designed to…

Hardware Architecture · Computer Science 2024-11-18 Keming Fan , Ashkan Moradifirouzabadi , Xiangjin Wu , Zheyu Li , Flavio Ponzina , Anton Persson , Eric Pop , Tajana Rosing , Mingu Kang

Database-search algorithms, that deduce peptides from Mass Spectrometry (MS) data, have tried to improve the computational efficiency to accomplish larger, and more complex systems biology studies. Existing serial, and high-performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-08 Muhammad Haseeb , Fahad Saeed

The rapid expansion of mass spectrometry (MS) data, now exceeding hundreds of terabytes, poses significant challenges for efficient, large-scale library search - a critical component for drug discovery. Traditional processors struggle to…

Vertebrate retinas are highly-efficient in processing trivial visual tasks such as detecting moving objects, yet a complex challenges for modern computers. In vertebrates, the detection of object motion is performed by specialised retinal…

Neural and Evolutionary Computing · Computer Science 2023-02-16 Pedro Machado , Joao Filipe Ferreira , Andreas Oikonomou , T. M. McGinnity

Molecular dynamics (MD) simulation is one of the past decade's most important tools for enabling biology scientists and researchers to explore human health and diseases. However, due to the computation complexity of the MD algorithm, it…

Computational Physics · Physics 2016-11-15 Jason Cong , Zhenman Fang , Hassan Kianinejad , Peng Wei

Large numbers of MS/MS peptide spectra generated in proteomics experiments require efficient, sensitive and specific algorithms for peptide identification. In the Open Mass Spectrometry Search Algorithm [OMSSA], specificity is calculated by…

Quantitative Methods · Quantitative Biology 2007-05-23 Lewis Y. Geer , Sanford P. Markey , Jeffrey A. Kowalak , Lukas Wagner , Ming Xu , Dawn M. Maynard , Xiaoyu Yang , Wenyao Shi , Stephen H. Bryant

Accelerating molecular docking -- the process of predicting how molecules bind to protein targets -- could boost small-molecule drug discovery and revolutionize medicine. Unfortunately, current molecular docking tools are too slow to screen…

Field-Programmable Gate Arrays (FPGAs) are widely used in the central signal processing design of the Square Kilometre Array (SKA) as acceleration hardware. The frequency domain acceleration search (FDAS) module is an important part of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-02 Haomiao Wang , Prabu Thiagaraj , Oliver Sinnen

Feeder reconfiguration is a critical operational strategy in power distribution systems. However, existing optimization approaches typically rely on explicit mathematical formulations and analytical models, which are often infeasible in…

Systems and Control · Electrical Eng. & Systems 2025-07-23 Junyuan Zheng , Wenlong Shi , Zhaoyu Wang

The increasing complexity of large-scale FPGA accelerators poses significant challenges in achieving high performance while maintaining design productivity. High-level synthesis (HLS) has been adopted as a solution, but the mismatch between…

Hardware Architecture · Computer Science 2024-10-18 Jason Lau , Yuanlong Xiao , Yutong Xie , Yuze Chi , Linghao Song , Shaojie Xiang , Michael Lo , Zhiru Zhang , Jason Cong , Licheng Guo

In this paper, we introduce fastHDMI, a Python package designed for efficient variable screening in high-dimensional datasets, particularly neuroimaging data. This work pioneers the application of three mutual information estimation methods…

Machine Learning · Statistics 2024-10-15 Kai Yang , Masoud Asgharian , Nikhil Bhagwat , Jean-Baptiste Poline , Celia M. T. Greenwood

K-nearest neighbor search is one of the fundamental tasks in various applications and the hierarchical navigable small world (HNSW) has recently drawn attention in large-scale cloud services, as it easily scales up the database while…

Hardware Architecture · Computer Science 2022-07-13 Ji-Hoon Kim , Yeo-Reum Park , Jaeyoung Do , Soo-Young Ji , Joo-Young Kim

Efficient memory management in heterogeneous systems is increasingly challenging due to diverse compute architectures (e.g., CPU, GPU, FPGA) and dynamic task mappings not known at compile time. Existing approaches often require programmers…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-29 Serhan Gener , Aditya Ukarande , Shilpa Mysore Srinivasa Murthy , Sahil Hassan , Joshua Mack , Chaitali Chakrabarti , Umit Ogras , Ali Akoglu

Protein quantification and analysis are well-accepted approaches for biomarker discovery but are limited to identification without structural information. High-throughput omics data (i.e., genomics, transcriptomics, and proteomics) have…

Quantitative Methods · Quantitative Biology 2025-06-13 Lucas Wilken , Nihjum Paul , Troy Timmerman , Sara A. Tolba , Amara Arshad , Di Wu , Wenjie Xia , Bakhtiyor Rasulev , Rick Jansen , Dali Sun

The advancements in data acquisition, storage, and processing techniques have resulted in the rapid growth of heterogeneous medical data. Integrating radiological scans, histopathology images, and molecular information with clinical data is…

Machine Learning · Computer Science 2023-12-25 Aakash Tripathi , Asim Waqas , Kavya Venkatesan , Yasin Yilmaz , Ghulam Rasool

Feature selection is a crucial step in machine learning, especially for high-dimensional datasets, where irrelevant and redundant features can degrade model performance and increase computational costs. This paper proposes a novel…

Neural and Evolutionary Computing · Computer Science 2024-10-30 Azam Asilian Bidgoli , Shahryar Rahnamayan

Synchronous Mirroring (SM) is a standard approach to building highly-available and fault-tolerant enterprise storage systems. SM ensures strong data consistency by maintaining multiple exact data replicas and synchronously propagating every…

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