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Motivation: Antifungal resistance has become an increasing global concern in both clinical and environmental health. Detecting known resistance mutations directly from sequencing reads, in special metagenomic samples, remains a major…

Genomics · Quantitative Biology 2026-02-20 Henrique RM Antoniolli , Lívia Kmetzsch , Charley C Staats

Reproducibility and sustainability present significant challenges in bioinformatics software development, where rapidly evolving tools and complex workflows often result in short-lived or difficult-to-adapt pipelines. This paper introduces…

Software Engineering · Computer Science 2025-05-07 Marco Masera , Alessandro Leone , Johannes Köster , Ivan Molineris

Understanding the strengths and weaknesses of machine learning (ML) algorithms is crucial for determine their scope of application. Here, we introduce the DIverse and GENerative ML Benchmark (DIGEN) - a collection of synthetic datasets for…

Machine Learning · Computer Science 2021-07-15 Patryk Orzechowski , Jason H. Moore

Ultrafast multidimensional spectroscopies are powerful tools that can access charge and energy flow in complex materials, shifting chemical kinetics, and even many-body interactions in correlated matter. However, current implementations…

An accurate method for enumerating pathogen indicators, such as Escherichia coli (E. coli), and Salmonella spp. is important for assessing the safety of compost samples. This study aimed to determine the occurrence of pathogen indicators in…

Quantitative Methods · Quantitative Biology 2014-04-15 N. M. Sunar , D. I. Stewart , E. I. Stentiford , L. A. Flecther

Multivariate time series (MTS) data, when sampled irregularly and asynchronously, often present extensive missing values. Conventional methodologies for MTS analysis tend to rely on temporal embeddings based on timestamps that necessitate…

Machine Learning · Computer Science 2024-05-28 Chun-Kai Huang , Yi-Hsien Hsieh , Ta-Jung Chien , Li-Cheng Chien , Shao-Hua Sun , Tung-Hung Su , Jia-Horng Kao , Che Lin

Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry (MALDI-TOF MS) has become a cornerstone technology in clinical microbiology, enabling rapid and accurate microbial identification. However, the development of…

The DNA sequencing is the process of identifying the exact order of nucleotides within a given DNA molecule. The new portable and relatively inexpensive DNA sequencers, such as Oxford Nanopore MinION, have the potential to move DNA…

Computational Engineering, Finance, and Science · Computer Science 2019-01-09 Steven Y. Ko , Lauren Sassoubre , Jaroslaw Zola

Medical coding is essential for standardizing clinical data and communication but is often time-consuming and prone to errors. Traditional Natural Language Processing (NLP) methods struggle with automating coding due to the large label…

We introduce SynFormer, a generative modeling framework designed to efficiently explore and navigate synthesizable chemical space. Unlike traditional molecular generation approaches, we generate synthetic pathways for molecules to ensure…

Machine Learning · Computer Science 2024-10-07 Wenhao Gao , Shitong Luo , Connor W. Coley

The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and Drug-Target Interaction (DTI) datasets collected in…

Quantitative Methods · Quantitative Biology 2025-10-27 Bing Hu , Jong-Hoon Park , Helen Chen , Young-Rae Cho , Anita Layton

Inference from interaction maps, such as centromere identification from genome-wide chromosome conformation capture techniques -- notably Hi-C -- can be formulated as a generic inverse problem: infer a set of parameters given a map…

Machine Learning · Computer Science 2026-05-27 Eloïse Touron , Pedro L. C. Rodrigues , Julyan Arbel , Nelle Varoquaux , Michael Arbel

Common Data Elements (CDEs) standardize data collection and sharing across studies, enhancing data interoperability and improving research reproducibility. However, implementing CDEs presents challenges due to the broad range and variety of…

Identification of every single genome present in a microbial sample is an important and challenging task with crucial applications. It is challenging because there are typically millions of cells in a microbial sample, the vast majority of…

Genomics · Quantitative Biology 2014-04-29 Zeinab Taghavi , Narjes S. Movahedi , Sorin Draghici , Hamidreza Chitsaz

Background: While the importance of gene-gene interactions in human diseases has been well recognized, identifying them has been a great challenge, especially through association studies with millions of genetic markers and thousands of…

Quantitative Methods · Quantitative Biology 2015-05-07 Changshuai Wei , Qing Lu

The discovery of new multicomponent inorganic compounds can provide direct solutions to many scientific and engineering challenges, yet the vast size of the uncharted material space dwarfs current synthesis throughput. While the…

Computational Physics · Physics 2022-05-18 Sungwoo Kang , Wonseok Jeong , Changho Hong , Seungwoo Hwang , Youngchae Yoon , Seungwu Han

This paper presents a novel framework, MGNER, for Multi-Grained Named Entity Recognition where multiple entities or entity mentions in a sentence could be non-overlapping or totally nested. Different from traditional approaches regarding…

Computation and Language · Computer Science 2020-04-06 Congying Xia , Chenwei Zhang , Tao Yang , Yaliang Li , Nan Du , Xian Wu , Wei Fan , Fenglong Ma , Philip Yu

To detect large-variance code clones (i.e. clones with relatively more differences) in large-scale code repositories is difficult because most current tools can only detect almost identical or very similar clones. It will make promotion and…

Software Engineering · Computer Science 2019-09-11 Ming Wu , Pengcheng Wang , Kangqi Yin , Haoyu Cheng , Yun Xu , Chanchal K. Roy

Next-generation sequencing techniques have facilitated a large scale analysis of human genetic variation. Despite the advances in sequencing speeds, the computational discovery of structural variants is not yet standard. It is likely that…

Several modern genomic technologies, such as DNA-Methylation arrays, measure spatially registered probes that number in the hundreds of thousands across multiplechromosomes. The measured probes are by themselves less interesting…

Applications · Statistics 2016-11-16 John Nagorski , Genevera I. Allen
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