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Related papers: Peptide-Spectra Matching from Weak Supervision

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We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge,…

Artificial Intelligence · Computer Science 2024-12-05 Yaoyao Xu , Xinjian Zhao , Xiaozhuang Song , Benyou Wang , Tianshu Yu

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the high-throughput analysis of protein composition in biological tissues. Many deep learning methods have been developed for \emph{de novo} peptide…

Quantitative Methods · Quantitative Biology 2024-11-01 Jingbo Zhou , Shaorong Chen , Jun Xia , Sizhe Liu , Tianze Ling , Wenjie Du , Yue Liu , Jianwei Yin , Stan Z. Li

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomolecule structures extrapolated from the Protein Data Bank…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

We address a core problem of computer vision: Detection and description of 2D feature points for image matching. For a long time, hand-crafted designs, like the seminal SIFT algorithm, were unsurpassed in accuracy and efficiency. Recently,…

Computer Vision and Pattern Recognition · Computer Science 2020-03-23 Aritra Bhowmik , Stefan Gumhold , Carsten Rother , Eric Brachmann

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…

Given a training dataset composed of images and corresponding category labels, deep convolutional neural networks show a strong ability in mining discriminative parts for image classification. However, deep convolutional neural networks…

Computer Vision and Pattern Recognition · Computer Science 2019-03-08 Weifeng Ge , Xiangru Lin , Yizhou Yu

Deep neural networks have excelled on a wide range of problems, from vision to language and game playing. Neural networks very gradually incorporate information into weights as they process data, requiring very low learning rates. If the…

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

Recently developed deep learning techniques have significantly improved the accuracy of various speech and image recognition systems. In this paper we adapt some of these techniques for protein secondary structure prediction. We first train…

Machine Learning · Computer Science 2016-11-07 Akosua Busia , Jasmine Collins , Navdeep Jaitly

Deep Matching (DM) is a popular high-quality method for quasi-dense image matching. Despite its name, however, the original DM formulation does not yield a deep neural network that can be trained end-to-end via backpropagation. In this…

Computer Vision and Pattern Recognition · Computer Science 2016-09-13 James Thewlis , Shuai Zheng , Philip H. S. Torr , Andrea Vedaldi

Deep learning is playing a vital role in every field which involves data. It has emerged as a strong and efficient framework that can be applied to a broad spectrum of complex learning problems which were difficult to solve using…

Biomolecules · Quantitative Biology 2022-09-23 Faisal Ghaffar , Sarwar Khan , Gaddisa O. , Chen Yu-jhen

Modern pattern recognition tasks use complex algorithms that take advantage of large datasets to make more accurate predictions than traditional algorithms such as decision trees or k-nearest-neighbor better suited to describe simple…

Machine Learning · Statistics 2021-10-14 AGaurav Arwade , Sigurdur Olafsson

Deep neural networks have achieved state of the art accuracy at classifying molecules with respect to whether they bind to specific protein targets. A key breakthrough would occur if these models could reveal the fragment pharmacophores…

Machine Learning · Computer Science 2020-02-12 Kevin McCloskey , Ankur Taly , Federico Monti , Michael P. Brenner , Lucy Colwell

As proteins with similar structures often have similar functions, analysis of protein structures can help predict protein functions and is thus important. We consider the problem of protein structure classification, which computationally…

Machine Learning · Statistics 2019-10-08 Hongyu Guo , Khalique Newaz , Scott Emrich , Tijana Milenkovic , Jun Li

Deep learning has become very popular for tasks such as predictive modeling and pattern recognition in handling big data. Deep learning is a powerful machine learning method that extracts lower level features and feeds them forward for the…

Machine Learning · Computer Science 2018-03-07 Steven Young , Tamer Abdou , Ayse Bener

Identifying interacting partners from two sets of protein sequences has important applications in computational biology. Interacting partners share similarities across species due to their common evolutionary history, and feature…

Biomolecules · Quantitative Biology 2024-12-31 Umberto Lupo , Damiano Sgarbossa , Martina Milighetti , Anne-Florence Bitbol

The unbounded permutations of biological molecules, including proteins and their constituent peptides, presents a dilemma in identifying the components of complex biosamples. Sequence search algorithms used to identify peptide spectra can…

Quantitative Methods · Quantitative Biology 2023-05-17 Lewis Y. Geer , Joel Lapin , Douglas J. Slotta , Tytus D. Mak , Stephen E. Stein

Deep learning is a topic of considerable current interest. The availability of massive data collections and powerful software resources has led to an impressive amount of results in many application areas that reveal essential but hidden…

Machine Learning · Computer Science 2023-01-31 Gianluigi Pillonetto , Aleksandr Aravkin , Daniel Gedon , Lennart Ljung , Antônio H. Ribeiro , Thomas B. Schön

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi