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Linear principal component analysis (PCA) can be extended to a nonlinear PCA by using artificial neural networks. But the benefit of curved components requires a careful control of the model complexity. Moreover, standard techniques for…

Machine Learning · Computer Science 2012-04-04 Matthias Scholz

Peptide identification in mass spectrometry-based proteomics is crucial for understanding protein function and dynamics. Traditional database search methods, though widely used, rely on heuristic scoring functions and statistical…

Quantitative Methods · Quantitative Biology 2024-05-13 Yonghan Yu , Ming Li

Computational models that accurately predict the binding affinity of an input protein-chemical pair can accelerate drug discovery studies. These models are trained on available protein-chemical interaction datasets, which may contain…

Quantitative Methods · Quantitative Biology 2023-01-10 Rıza Özçelik , Alperen Bağ , Berk Atıl , Melih Barsbey , Arzucan Özgür , Elif Özkırımlı

Deep learning algorithms have recently shown to be a successful tool in estimating parameters of statistical models for which simulation is easy, but likelihood computation is challenging. But the success of these approaches depends on…

Machine Learning · Statistics 2024-02-20 Amanda Lenzi , Haavard Rue

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

Currently, a growing number of health consumers are asking health-related questions online, at any time and from anywhere, which effectively lowers the cost of health care. The most common approach is using online health expert…

Information Retrieval · Computer Science 2016-12-22 Ze Hu , Zhan Zhang , Qing Chen , Haiqin Yang , Decheng Zuo

Protein inference plays a vital role in the proteomics study. Two major approaches could be used to handle the problem of protein inference; top-down and bottom-up. This paper presents a framework for protein inference, which uses hardware…

Computational Engineering, Finance, and Science · Computer Science 2014-03-07 S. M. Vidanagamachchi , S. D. Dewasurendra , R. G. Ragel

The potential of deep learning has been recognized in the protein structure prediction community for some time, and became indisputable after CASP13. In CASP14, deep learning has boosted the field to unanticipated levels reaching…

Biomolecules · Quantitative Biology 2021-09-14 Elodie Laine , Stephan Eismann , Arne Elofsson , Sergei Grudinin

Proteins play crucial roles in almost all biological processes. The advancement of deep learning has greatly accelerated the development of protein foundation models, leading to significant successes in protein understanding and design.…

Machine Learning · Computer Science 2025-10-09 Jigang Fan , Zhenghong Zhou , Ruofan Jin , Le Cong , Mengdi Wang , Zaixi Zhang

Deepfake detection refers to detecting artificially generated or edited faces in images or videos, which plays an essential role in visual information security. Despite promising progress in recent years, Deepfake detection remains a…

Computer Vision and Pattern Recognition · Computer Science 2023-12-11 Chunlei Peng , Huiqing Guo , Decheng Liu , Nannan Wang , Ruimin Hu , Xinbo Gao

Blind image quality assessment (BIQA) aims to predict perceptual image quality scores without access to reference images. State-of-the-art BIQA methods typically require subjects to score a large number of images to train a robust model.…

Computer Vision and Pattern Recognition · Computer Science 2019-04-25 Fei Gao , Dacheng Tao , Xinbo Gao , Xuelong Li

Recently developed deep learning techniques have significantly improved the accuracy of various speech and image recognition systems. In this paper we show how to adapt some of these techniques to create a novel chained convolutional…

Machine Learning · Computer Science 2017-02-20 Akosua Busia , Navdeep Jaitly

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Image quality assessment (IQA) forms a natural and often straightforward undertaking for humans, yet effective automation of the task remains highly challenging. Recent metrics from the deep learning community commonly compare image pairs…

Computer Vision and Pattern Recognition · Computer Science 2022-11-11 William Thong , Jose Costa Pereira , Sarah Parisot , Ales Leonardis , Steven McDonagh

Over the past decades, numerous Image Quality Assessment (IQA) models have emerged, aiming to predict the perceptual quality of images. However, individual models are often biased toward certain types of image content or distortions,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Zhongling Wang , Raymond Zhou , Shahrukh Athar , Wenbo Yang , Zhou Wang

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping inputs to correct outputs are extremely difficult to…

Quality Estimation (QE) is estimating quality of the model output during inference when the ground truth is not available. Deriving output quality from the models' output probability is the most trivial and low-effort way. However, we show…

Computation and Language · Computer Science 2025-09-16 Tu Anh Dinh , Jan Niehues

Blind video quality assessment (BVQA) plays a pivotal role in evaluating and improving the viewing experience of end-users across a wide range of video-based platforms and services. Contemporary deep learning-based models primarily analyze…

Image and Video Processing · Electrical Eng. & Systems 2024-04-02 Wen Wen , Mu Li , Yabin Zhang , Yiting Liao , Junlin Li , Li Zhang , Kede Ma

Over the last twenty years, significant progress has been made in designing and implementing Question Answering (QA) systems. However, addressing complex questions, the answers to which are spread across multiple documents, remains a…

Computation and Language · Computer Science 2026-02-26 Sourav Saha , Dwaipayan Roy , Mandar Mitra
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