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Summary: Founded upon diffusion with damping, ITM Probe is an application for modeling information flow in protein interaction networks without prior restriction to the sub-network of interest. Given a context consisting of desired origins…

Molecular Networks · Quantitative Biology 2010-04-29 Aleksandar Stojmirović , Yi-Kuo Yu

Effectively compressing and optimizing tensor networks requires reliable methods for fixing the latent degrees of freedom of the tensors, known as the gauge. Here we introduce a new algorithm for gauging tensor networks using belief…

Quantum Physics · Physics 2025-03-03 Joseph Tindall , Matthew T. Fishman

Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

Biomolecules · Quantitative Biology 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla

Protein function prediction is a pivotal task in drug discovery, significantly impacting the development of effective and safe therapeutics. Traditional machine learning models often struggle with the complexity and variability inherent in…

Machine Learning · Computer Science 2024-09-24 Bohao Xu , Yingzhou Lu , Yoshitaka Inoue , Namkyeong Lee , Tianfan Fu , Jintai Chen

The limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number and extent (in size and time) of MD…

Molecular interactions have widely been modelled as networks. The local wiring patterns around molecules in molecular networks are linked with their biological functions. However, networks model only pairwise interactions between molecules…

Molecular Networks · Quantitative Biology 2018-09-21 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

Gene expression (GE) data capture valuable condition-specific information ("condition" can mean a biological process, disease stage, age, patient, etc.) However, GE analyses ignore physical interactions between gene products, i.e.,…

Molecular Networks · Quantitative Biology 2020-04-16 Khalique Newaz , Tijana Milenkovic

Background: Coevolution within a protein family is often predicted using statistics that measure the degree of covariation between positions in the protein sequence. Mutual Information is a measure of dependence between two random variables…

Populations and Evolution · Quantitative Biology 2013-04-17 Russell J. Dickson , Gregory B. Gloor

Link prediction in complex networks has attracted increasing attention from both physical and computer science communities. The algorithms can be used to extract missing information, identify spurious interactions, evaluate network evolving…

Physics and Society · Physics 2015-05-20 Linyuan Lu , Tao Zhou

Maximum A Posteriori inference in graphical models is often solved via message-passing algorithms, such as the junction-tree algorithm, or loopy belief-propagation. The exact solution to this problem is well known to be exponential in the…

Artificial Intelligence · Computer Science 2010-04-09 Julian J. McAuley , Tiberio S. Caetano

We introduce a new model of proteins, which extends and enhances the traditional graphical representation by associating a combinatorial object called a fatgraph to any protein based upon its intrinsic geometry. Fatgraphs can easily be…

Biomolecules · Quantitative Biology 2009-05-30 R. C. Penner , Michael Knudsen , Carsten Wiuf , Joergen Ellegaard Andersen

Despite the large quantity of information available, thorough researches in various biological databases are still needed in order to reconstruct and understand the steps that lead to known or new phenomena. By using protein-protein…

Molecular Networks · Quantitative Biology 2014-12-03 Alberto Calderone

We introduce a new type of graphical model that we call a "memory factor network" (MFN). We show how to use MFNs to model the structure inherent in many types of data sets. We also introduce an associated message-passing style algorithm…

Artificial Intelligence · Computer Science 2016-01-19 Patrick Eschenfeldt , Dan Schmidt , Stark Draper , Jonathan Yedidia

Motivation: Understanding functions of proteins in specific human tissues is essential for insights into disease diagnostics and therapeutics, yet prediction of tissue-specific cellular function remains a critical challenge for biomedicine.…

Machine Learning · Computer Science 2017-07-18 Marinka Zitnik , Jure Leskovec

In this paper we analyze the performance of Warning Propagation, a popular message passing algorithm. We show that for 3CNF formulas drawn from a certain distribution over random satisfiable 3CNF formulas, commonly referred to as the…

Probability · Mathematics 2010-12-30 Uriel Feige , Elchanan Mossel , Dan Vilenchik

We study text summarization from the viewpoint of maximum coverage problem. In graph theory, the task of text summarization is regarded as maximum coverage problem on bipartite graph with weighted nodes. In recent study, belief-propagation…

Computation and Language · Computer Science 2020-04-20 Hiroki Kitano , Koujin Takeda

Protein-protein interactions drive many biological processes, including the detection of phytopathogens by plants' R-Proteins and cell surface receptors. Many machine learning studies have attempted to predict protein-protein interactions…

Machine Learning · Computer Science 2023-10-24 Ruth Veevers , Dan MacLean

We develop a message-passing algorithm for noisy matrix completion problems based on matrix factorization. The algorithm is derived by approximating message distributions of belief propagation with Gaussian distributions that share the same…

Machine Learning · Statistics 2021-10-27 Koki Okajima , Yoshiyuki Kabashima

Large self-supervised models pretrained on millions of protein sequences have recently gained popularity in generating embeddings of protein sequences for protein function prediction. However, the absence of random baselines makes it…

Biomolecules · Quantitative Biology 2021-05-03 Tianyu Lu , Alex X. Lu , Alan M. Moses

Predicting protein properties, functions and localizations are important tasks in bioinformatics. Recent progress in machine learning offers an opportunities for improving existing methods. We developed a new approach called ProtBoost,…

Quantitative Methods · Quantitative Biology 2024-12-09 Alexander Chervov , Anton Vakhrushev , Sergei Fironov , Loredana Martignetti
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