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Transcriptomic data is a treasure-trove in modern molecular biology, as it offers a comprehensive viewpoint into the intricate nuances of gene expression dynamics underlying biological systems. This genetic information must be utilised to…

Molecular Networks · Quantitative Biology 2023-12-13 Vikram Singh , Vikram Singh

Signaling pathways are responsible for the regulation of cell processes, such as monitoring the external environment, transmitting information across membranes, and making cell fate decisions. Given the increasing amount of biological data…

Molecular Networks · Quantitative Biology 2020-04-07 Daniel Inostroza , Cecilia Hernández , Diego Seco , Gonzalo Navarro , Alvaro Olivera-Nappa

The paper investigates a novel approach, based on Constraint Logic Programming (CLP), to predict the 3D conformation of a protein via fragments assembly. The fragments are extracted by a preprocessor-also developed for this work- from a…

Artificial Intelligence · Computer Science 2010-08-02 Alessandro Dal Palu' , Agostino Dovier , Federico Fogolari , Enrico Pontelli

Learning knowledge representation is an increasingly important technology applicable in many domain-specific machine learning problems. We discuss the effectiveness of traditional Link Prediction or Knowledge Graph Completion evaluation…

Artificial Intelligence · Computer Science 2020-02-24 Jianyu Liu , Hegler Tissot

The sheer amounts of biological data that are generated in recent years have driven the development of network analysis tools to facilitate the interpretation and representation of these data. A fundamental challenge in this domain is the…

Quantitative Methods · Quantitative Biology 2013-07-31 Arnon Mazza , Irit Gat-Viks , Hesso Farhan , Roded Sharan

Motivation: Machine learning based prediction of compound-protein interactions (CPIs) is important for drug design, screening and repurposing studies and can improve the efficiency and cost-effectiveness of wet lab assays. Despite the…

Quantitative Methods · Quantitative Biology 2022-02-02 Adiba Yaseen , Imran Amin , Naeem Akhter , Asa Ben-Hur , Fayyaz Minhas

Background. Human aging is linked to many prevalent diseases. The aging process is highly influenced by genetic factors. Hence, it is important to identify human aging-related genes. We focus on supervised prediction of such genes. Gene…

Molecular Networks · Quantitative Biology 2020-04-28 Qi Li , Tijana Milenković

This work studies the parameterized complexity of finding secluded solutions to classical combinatorial optimization problems on graphs such as finding minimum s-t separators, feedback vertex sets, dominating sets, maximum independent sets,…

Computational Complexity · Computer Science 2019-11-14 René van Bevern , Till Fluschnik , George B. Mertzios , Hendrik Molter , Manuel Sorge , Ondřej Suchý

A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…

Artificial Intelligence · Computer Science 2014-11-17 L. Leherte , J. Glasgow , K. Baxter , E. Steeg , S. Fortier

The characterization of drug-protein interactions is crucial in the high-throughput screening for drug discovery. The deep learning-based approaches have attracted attention because they can predict drug-protein interactions without…

Machine Learning · Computer Science 2020-12-22 QHwan Kim , Joon-Hyuk Ko , Sunghoon Kim , Nojun Park , Wonho Jhe

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

Particle swarm optimization is used in several combinatorial optimization problems. In this work, particle swarms are used to solve quadratic programming problems with quadratic constraints. The approach of particle swarms is an example for…

Artificial Intelligence · Computer Science 2014-07-24 Deepak Kumar , A G Ramakrishnan

Proteins interact with other proteins within biological pathways, forming connected subgraphs in the protein-protein interactome (PPI). Proteins are often involved in multiple biological pathways which complicates interpretation of…

Molecular Networks · Quantitative Biology 2012-12-04 Sira Sriswasdi , Shane T. Jensen

Understanding how molecular alterations propagate across biological systems to drive disease remains a central challenge. Although high-throughput profiling enables comprehensive characterization of tumor states, most models neglect…

Quantitative Methods · Quantitative Biology 2026-05-11 Kyle Higgins , Guadalupe Gonzalez , Dennis Veselkov , Ivan Laponogov , Kirill Veselkov

Kernelization algorithms in the context of Parameterized Complexity are often based on a combination of reduction rules and combinatorial insights. We will expose in this paper a similar strategy for obtaining polynomial-time approximation…

Data Structures and Algorithms · Computer Science 2014-09-15 Faisal N. Abu-Khzam , Cristina Bazgan , Morgan Chopin , Henning Fernau

Generality is one of the main advantages of heuristic algorithms, as such, multiple parameters are exposed to the user with the objective of allowing them to shape the algorithms to their specific needs. Parameter selection, therefore,…

Neural and Evolutionary Computing · Computer Science 2017-05-22 Carlos Garcia Cordero

Parameterized algorithms are a very useful tool for dealing with NP-hard problems on graphs. Yet, to properly utilize parameterized algorithms it is necessary to choose the right parameter based on the type of problem and properties of the…

Data Structures and Algorithms · Computer Science 2012-01-18 Robert Ganian

Protein-protein interaction (PPI) represents a central challenge within the biology field, and accurately predicting the consequences of mutations in this context is crucial for drug design and protein engineering. Deep learning (DL) has…

Machine Learning · Computer Science 2026-01-13 Fang Wu , Stan Z. Li

Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…

Machine Learning · Computer Science 2021-07-08 Tian Xia , Wei-Shinn Ku

We propose a framework for the joint inference of network topology, multi-type interaction kernels, and latent type assignments in heterogeneous interacting particle systems from multi-trajectory data. This learning task is a challenging…

Machine Learning · Statistics 2026-02-05 Quanjun Lang , Xiong Wang , Fei Lu , Mauro Maggioni