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Motivated by an open problem of validating protein identities in label-free shotgun proteomics work-flows, we present a testing procedure to validate class/protein labels using available measurements across instances/peptides. More…

Methodology · Statistics 2020-06-05 Melissa C. Key , Ben Boukai

The linking genotype to phenotype is the fundamental aim of modern genetics. We focus on study of links between gene expression data and phenotype data through integrative analysis. We propose three approaches. 1) The inherent complexity of…

Quantitative Methods · Quantitative Biology 2015-06-30 Min Xu

The quality and ease of proteomics analysis depends on the performance of the analytical tools used, and thus of the performances of the protein separation tools used to deconvolute complex protein samples. Among protein samples, membrane…

Genomics · Quantitative Biology 2008-12-31 Thierry Rabilloud , Mireille Chevallet , Sylvie Luche , Cécile Lelong

Liquid Chromatography coupled to Mass Spectrometry (LC-MS) based methods are commonly used for high-throughput, quantitative measurements of the proteome (i.e. the set of all proteins in a sample at a given time). Targeted LC-MS produces…

Computer Vision and Pattern Recognition · Computer Science 2020-10-28 Leon L. Xu , Hannes L. Röst

Dataset distillation is an emerging technique for reducing the computational and storage costs of training machine learning models by synthesizing a small, informative subset of data that captures the essential characteristics of a much…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Ali Abbasi , Ashkan Shahbazi , Hamed Pirsiavash , Soheil Kolouri

Drug discovery is a highly complicated process, and it is unfeasible to fully commit it to the recently developed molecular generation methods. Deep learning-based lead optimization takes expert knowledge as a starting point, learning from…

Mass spectrometry-based proteomics has become the tool of choice for identifying and quantifying the proteome of an organism. Though recent years have seen a tremendous improvement in instrument performance and the computational tools used,…

In medical diagnostics of both early disease detection and routine patient care, particle-based contamination of in-vitro diagnostics consumables poses a significant threat to patients. Objective data-driven decision-making on the severity…

Human-Computer Interaction · Computer Science 2024-08-12 Alexander Wyss , Gabriela Morgenshtern , Amanda Hirsch-Hüsler , Jürgen Bernard

Gel electrophoresis, a widely used technique to separate DNA according to their size and weight, generates images that can be analyzed automatically. Manual or semiautomatic image processing presents a bottleneck for further development and…

Computer Vision and Pattern Recognition · Computer Science 2016-11-17 Naima Kaabouch , Richard R. Schultz , Barry Milavetz , Lata Balakrishnan

While recent face recognition (FR) systems achieve excellent results in many deployment scenarios, their performance in challenging real-world settings is still under question. For this reason, face image quality assessment (FIQA)…

Computer Vision and Pattern Recognition · Computer Science 2022-09-01 Žiga Babnik , Vitomir Štruc

Automated data labeling techniques are crucial for accelerating the development of deep learning models, particularly in complex medical imaging applications. However, ensuring accuracy and efficiency remains challenging. This paper…

Computer Vision and Pattern Recognition · Computer Science 2024-04-09 Yu-Hsi Chen

Protein design has become a critical method in advancing significant potential for various applications such as drug development and enzyme engineering. However, protein design methods utilizing large language models with solely pretraining…

Artificial Intelligence · Computer Science 2024-12-06 Xiao-Yu Guo , Yi-Fan Li , Yuan Liu , Xiaoyong Pan , Hong-Bin Shen

Sequence coverage in MS analysis of protein digestion-derived peptides is a key issue for detailed characterization of proteins or identification at low quantities. In gel-based proteomics studies, the sequence coverage greatly depends on…

High-quality Question-Answer (QA) datasets are foundational for reliable Large Language Model (LLM) evaluation, yet even expert-crafted datasets exhibit persistent gaps in domain coverage, misaligned difficulty distributions, and factual…

Computation and Language · Computer Science 2025-11-11 Xiaonan Luo , Yue Huang , Ping He , Xiangliang Zhang

Rationale: In a shotgun proteomics experiment with data-dependent acquisition, real-time analysis of a precursor scan results in selection of a handful of peaks for subsequent isolation, fragmentation and secondary scanning. This peak…

Quantitative Methods · Quantitative Biology 2012-07-26 Benjamin J. Diament , Michael J. MacCoss , William Stafford Noble

Proteomics is the large scale study of protein structure and function from biological systems through protein identification and quantification. "Shotgun proteomics" or "bottom-up proteomics" is the prevailing strategy, in which proteins…

Tandem mass spectrometry (MS/MS) stands as the predominant high-throughput technique for comprehensively analyzing protein content within biological samples. This methodology is a cornerstone driving the advancement of proteomics. In recent…

Quantitative Methods · Quantitative Biology 2024-06-27 Shiva Ebrahimi , Xuan Guo

Motivation: Assigning statistical significance accurately has become increasingly important as meta data of many types, often assembled in hierarchies, are constructed and combined for further biological analyses. Statistical inaccuracy of…

Quantitative Methods · Quantitative Biology 2014-07-25 Gelio Alves , Yi-Kuo Yu

Medical image analysis using deep learning is often challenged by limited labeled data and high annotation costs. Fine-tuning the entire network in label-limited scenarios can lead to overfitting and suboptimal performance. Recently, prompt…

Computer Vision and Pattern Recognition · Computer Science 2023-08-10 Fan Bai , Ke Yan , Xiaoyu Bai , Xinyu Mao , Xiaoli Yin , Jingren Zhou , Yu Shi , Le Lu , Max Q. -H. Meng

High-resolution structure determination by cryo-electron microscopy (cryo-EM) requires the accurate fitting of an atomic model into an experimental density map. Traditional refinement pipelines such as Phenix.real_space_refine and Rosetta…

Biomolecules · Quantitative Biology 2026-03-10 Fuyao Huang , Xiaozhu Yu , Kui Xu , Qiangfeng Cliff Zhang