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External information propagates in the cell mainly through signaling cascades and transcriptional activation, allowing it to react to a wide spectrum of environmental changes. High throughput experiments identify numerous molecular…

Molecular Networks · Quantitative Biology 2011-01-25 M. Bailly-Bechet , C. Borgs , A. Braunstein , J. Chayes , A. Dagkessamanskaia , J. -M. François , R. Zecchina

A general graph-structured neural network architecture operates on graphs through two core components: (1) complex enough message functions; (2) a fixed information aggregation process. In this paper, we present the Policy Message Passing…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Greg Mori

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

We present new message passing algorithms for performing inference with graphical models. Our methods are designed for the most difficult inference problems where loopy belief propagation and other heuristics fail to converge. Belief…

Artificial Intelligence · Computer Science 2022-07-19 Anna Grim , Pedro Felzenszwalb

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively…

Quantitative Methods · Quantitative Biology 2024-09-04 Shania Mitra , Lei Huang , Manolis Kellis

Most network-based protein (or gene) function prediction methods are based on the assumption that the labels of two adjacent proteins in the network are likely to be the same. However, assuming the pairwise relationship between proteins or…

Machine Learning · Statistics 2012-12-04 Loc Tran

Undirected graphical models are a widely used class of probabilistic models in machine learning that capture prior knowledge or putative pairwise interactions between variables. Those interactions are encoded in a graph for pairwise…

Statistics Theory · Mathematics 2025-03-21 Grégoire Sergeant-Perthuis , Toby St Clere Smithe , Léo Boitel

We discuss probabilistic methods for predicting protein functions from protein-protein interaction networks. Previous work based on Markov Randon Fields is extended and compared to a general machine-learning theoretic approach. Using actual…

Molecular Networks · Quantitative Biology 2007-05-23 Christoph Best , Ralf Zimmer , Joannis Apostolakis

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to encode for such functions is controlled by the balance…

Biomolecules · Quantitative Biology 2018-05-24 A. Possenti , M. Vendruscolo , C. Camilloni , G. Tiana

Automated protein function prediction is a challenging problem with distinctive features, such as the hierarchical organization of protein functions and the scarcity of annotated proteins for most biological functions. We propose a…

Machine Learning · Statistics 2019-04-09 Marco Frasca , Nicolò Cesa Bianchi

The determination of protein functions is one of the most challenging problems of the post-genomic era. The sequencing of entire genomes and the possibility to access gene's co-expression patterns has moved the attention from the study of…

Statistical Mechanics · Physics 2007-05-23 A. Vazquez , A. Flammini , A. Maritan , A. Vespignani

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Probabilistic inference problems arise naturally in distributed systems such as sensor networks and teams of mobile robots. Inference algorithms that use message passing are a natural fit for distributed systems, but they must be robust to…

Artificial Intelligence · Computer Science 2012-07-19 Mark Paskin , Carlos E. Guestrin

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

Belief propagation is a widely used message passing method for the solution of probabilistic models on networks such as epidemic models, spin models, and Bayesian graphical models, but it suffers from the serious shortcoming that it works…

Statistical Mechanics · Physics 2021-04-27 Alec Kirkley , George T. Cantwell , M. E. J. Newman

In Bayesian networks, exact belief propagation is achieved through message passing algorithms. These algorithms (ex: inward and outward) provide only a recursive definition of the corresponding messages. In contrast, when working on hidden…

Probability · Mathematics 2012-01-24 G. Nuel

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

We consider the problem of packing node-disjoint directed paths in a directed graph. We consider a variant of this problem where each path starts within a fixed subset of root nodes, subject to a given bound on the length of paths. This…

Data Structures and Algorithms · Computer Science 2016-03-22 Patrick Eschenfeldt , David Gamarnik

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow
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