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Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the analysis of protein composition in biological samples. Despite the development of various deep learning methods for identifying amino acid sequences…

定量方法 · 定量生物学 2024-03-18 Jun Xia , Shaorong Chen , Jingbo Zhou , Tianze Ling , Wenjie Du , Sizhe Liu , Stan Z. Li

Thread-like structures are pervasive across scales, from polymeric proteins to root systems to galaxy filaments, and their characteristics can be readily investigated in the network formalism. Yet, network links usually represent only parts…

数据结构与算法 · 计算机科学 2017-06-01 David Breuer , Zoran Nikoloski

The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…

定量方法 · 定量生物学 2020-11-30 Jingtao Wang , Xi Li , Hua Zhang

The Fast Fourier Transform (FFT) correlation approach to protein-protein docking can evaluate the energies of billions of docked conformations on a grid if the energy is described in the form of a correlation function. Here, this…

生物大分子 · 定量生物学 2007-05-23 D. Kozakov , R. Brenke , S. Comeau , S. Vajda

Despite progress, deep neural networks still suffer performance declines under distribution shifts between training and test domains, leading to a substantial decrease in Quality of Experience (QoE) for applications. Existing test-time…

机器学习 · 计算机科学 2025-06-10 Qinting Jiang , Chuyang Ye , Dongyan Wei , Bingli Wang , Yuan Xue , Jingyan Jiang , Zhi Wang

Although feature models are widely used in practice, for example, representing variability in software product lines, their integration is still a challenge. Many integration techniques have been proposed, although none of these have proven…

软件工程 · 计算机科学 2018-10-01 Vinicius Bischoff

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this…

机器学习 · 计算机科学 2024-01-10 Qizhi Pei , Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Yingce Xia , Shufang Xie , Tao Qin , Kun He , Tie-Yan Liu , Rui Yan

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…

定量方法 · 定量生物学 2025-10-30 Sarfraz Ahmad , Momina Ahsan , Muhammad Nabeel Asim , Andreas Dengel , Muhammad Imran Malik

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

定量方法 · 定量生物学 2020-09-24 Xuan Guo , Shichao Feng

Instance segmentation is an important task for biomedical and biological image analysis. Due to the complicated background components, the high variability of object appearances, numerous overlapping objects, and ambiguous object…

计算机视觉与模式识别 · 计算机科学 2021-02-24 Dongnan Liu , Donghao Zhang , Yang Song , Heng Huang , Weidong Cai

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

生物大分子 · 定量生物学 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

We study a variant of domain adaptation for named-entity recognition where multiple, heterogeneously tagged training sets are available. Furthermore, the test tag-set is not identical to any individual training tag-set. Yet, the relations…

计算与语言 · 计算机科学 2019-06-20 Genady Beryozkin , Yoel Drori , Oren Gilon , Tzvika Hartman , Idan Szpektor

Single-cell multi-omics (scMulti-omics) refers to the paired multimodal data, such as Cellular Indexing of Transcriptomes and Epitopes by Sequencing (CITE-seq), where the regulation of each cell was measured from different modalities, i.e.…

机器学习 · 计算机科学 2024-10-18 Dian Meng , Bohao Xing , Xinlei Huang , Yanran Liu , Yijun Zhou , Yongjun xiao , Zitong Yu , Xubin Zheng

We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In structural biology, this process is necessary to…

定量方法 · 定量生物学 2025-01-09 Deng Luo , Zainab Alsuwaykit , Dawar Khan , Ondřej Strnad , Tobias Isenberg , Ivan Viola

Essential protein plays a crucial role in the process of cell life. The identification of essential proteins can not only promote the development of drug target technology, but also contribute to the mechanism of biological evolution. There…

分子网络 · 定量生物学 2020-05-20 Pengli Lu , JingJuan Yu

The objective of this study is to develop a patch-based labeling method that cooperates with a label fusion using non-rigid registrations. We present a novel patch-based label fusion method, whose selected patches and their weights are…

计算机视觉与模式识别 · 计算机科学 2015-12-22 Carlos Platero , M. Carmen Tobar

The Choquet integral is a tool for the information fusion that is very effective in the case where fuzzy measures associated with it are well chosen. In this paper,we propose a new approach for calculating fuzzy measures associated with the…

计算机视觉与模式识别 · 计算机科学 2018-04-03 Anouar Ben Khalifa , Sami Gazzah , Najoua Essoukri Ben Amara

Jet flavour identification algorithms are of paramount importance to maximise the physics potential of future collider experiments. This work describes a novel set of tools allowing for a realistic simulation and reconstruction of particle…

高能物理 - 实验 · 物理学 2022-08-10 Franco Bedeschi , Loukas Gouskos , Michele Selvaggi

The rapid advancement of generative models has led to a growing prevalence of highly realistic AI-generated images, posing significant challenges for digital forensics and content authentication. Conventional detection methods mainly rely…

计算机视觉与模式识别 · 计算机科学 2025-08-26 Dabbrata Das , Mahshar Yahan , Md Tareq Zaman , Md Rishadul Bayesh

Foundation language models obtain the instruction-following ability through supervised fine-tuning (SFT). Diversity and complexity are considered critical factors of a successful SFT dataset, while their definitions remain obscure and lack…

计算与语言 · 计算机科学 2023-08-16 Keming Lu , Hongyi Yuan , Zheng Yuan , Runji Lin , Junyang Lin , Chuanqi Tan , Chang Zhou , Jingren Zhou