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Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for…

Biomolecules · Quantitative Biology 2024-10-24 Wenrui Gou , Wenhui Ge , Yang Tan , Mingchen Li , Guisheng Fan , Huiqun Yu

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

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

Cellular heterogeneity is important to biological processes, including cancer and development. However, proteome heterogeneity is largely unexplored because of the limitations of existing methods for quantifying protein levels in single…

Genomics · Quantitative Biology 2018-10-29 Bogdan Budnik , Ezra Levy , Guillaume Harmange , Nikolai Slavov

Kernel methods are powerful tools in machine learning. They have to be computationally efficient. In this paper, we present a novel Geometric-based approach to compute efficiently the string subsequence kernel (SSK). Our main idea is that…

Machine Learning · Computer Science 2015-03-02 Slimane Bellaouar , Hadda Cherroun , Djelloul Ziadi

Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

Biomolecules · Quantitative Biology 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

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…

Learning synaptic weights of spiking neural network (SNN) models that can reproduce target spike trains from provided neural firing data is a central problem in computational neuroscience and spike-based computing. The discovery of the…

Neural and Evolutionary Computing · Computer Science 2019-10-10 Bryce Bagley , Blake Bordelon , Benjamin Moseley , Ralf Wessel

All known terrestrial proteins are coded as continuous strings of ~20 amino acids. The patterns formed by the repetitions of elements in groups of finite sequences describes the natural architectures of protein families. We present a method…

Biomolecules · Quantitative Biology 2018-07-30 Pablo Turjanski , Diego U. Ferreiro

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

Machine Learning · Computer Science 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

Post-translational modifications (PTMs) profoundly expand the complexity and functionality of the proteome, regulating protein attributes and interactions that are crucial for biological processes. Accurately predicting PTM sites and their…

Machine Learning · Computer Science 2024-11-05 Cheng Tan , Zhenxiao Cao , Zhangyang Gao , Lirong Wu , Siyuan Li , Yufei Huang , Jun Xia , Bozhen Hu , Stan Z. Li

A scoring system is a simple decision model that checks a set of features, adds a certain number of points to a total score for each feature that is satisfied, and finally makes a decision by comparing the total score to a threshold.…

Machine Learning · Computer Science 2024-08-01 Jonas Hanselle , Stefan Heid , Johannes Fürnkranz , Eyke Hüllermeier

The support vector machine algorithm with a quantum kernel estimator (QSVM-Kernel), as a leading example of a quantum machine learning technique, has undergone significant advancements. Nevertheless, its integration with classical data…

Machine Learning · Computer Science 2024-07-22 Emine Akpinar , Sardar M. N. Islam , Murat Oduncuoglu

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Propensity Score Matching (PSM) is a causal inference technique that is used as a substitution for experimental methods when it is not possible to implement them due to logistical and ethical concerns. By using a logistic classifier to…

Applications · Statistics 2025-01-15 Elizabeth Mohney , Alexey Shvets

The main objective of the paper is to find the motif information.The functionalities of the proteins are ideally found from their motif information which is extracted using various techniques like clustering with k-means, hybrid k-means,…

Computer Vision and Pattern Recognition · Computer Science 2015-04-10 R. Gowri , R. Rathipriya

Accurate localization of proteins from fluorescence microscopy images is challenging due to the inter-class similarities and intra-class disparities introducing grave concerns in addressing multi-class classification problems. Conventional…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Muhammad Tahir , Saeed Anwar , Ajmal Mian , Abdul Wahab Muzaffar

Protein language models (pLMs) produce per-residue representations that capture evolutionary and structural information, yet their mean-pooled sequence embeddings are not explicitly trained to reflect functional, evolutionary or structural…

Machine Learning · Computer Science 2026-05-11 Dan Ofer , Oriel Perets , Michal Linial , Nadav Rappoport

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang