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As protein informatics advances rapidly, the demand for enhanced predictive accuracy, structural analysis, and functional understanding has intensified. Transformer models, as powerful deep learning architectures, have demonstrated…

Machine Learning · Computer Science 2025-05-28 Xiaowen Ling , Zhiqiang Li , Yanbin Wang , Zhuhong You

Understanding the function of network motifs in an attempt to gain insight into how their combinations create larger reaction networks that drive cellular functions, has been a longstanding pursuit of systems biology. One specific objective…

Molecular Networks · Quantitative Biology 2025-09-24 Nguyen H. N. Tran , Federico Frascoli , Andrew H. A. Clayton

We are looking at local protein interaction networks from the perspective of directed, labeled graphs with quantitative values for monotonic changes in concentrations. These systems can be used to perform stability analysis for a stable…

Molecular Networks · Quantitative Biology 2007-05-23 Gabriele Scheler

With an increasing amount of observations on the dynamics of many complex systems, it is required to reveal the underlying mechanisms behind these complex dynamics, which is fundamentally important in many scientific fields such as climate,…

Neurons and Cognition · Quantitative Biology 2025-03-19 Zhendong Yu , Haiping Huang

At the intersection of the rapidly growing biological data landscape and advancements in Natural Language Processing (NLP), protein language models (PLMs) have emerged as a transformative force in modern research. These models have achieved…

Biomolecules · Quantitative Biology 2025-02-12 Lei Wang , Xudong Li , Han Zhang , Jinyi Wang , Dingkang Jiang , Zhidong Xue , Yan Wang

There has been great interest in recent years on statistical models for dynamic networks. In this paper, I propose a stochastic block transition model (SBTM) for dynamic networks that is inspired by the well-known stochastic block model…

Social and Information Networks · Computer Science 2016-07-11 Kevin S. Xu

Transcriptional delay can significantly impact the dynamics of gene networks. Here we examine how such delay affects bistable systems. We investigate several stochastic models of bistable gene networks and find that increasing delay…

Molecular Networks · Quantitative Biology 2015-06-16 Chinmaya Gupta , José Manuel López , William Ott , Krešimir Josíc , Matthew R. Bennett

Large-scale pre-trained models (PTMs) such as BERT and GPT have recently achieved great success and become a milestone in the field of artificial intelligence (AI). Owing to sophisticated pre-training objectives and huge model parameters,…

Intracellular transport processes are essential to the healthy development of many organisms as well as more generally to healthy cellular function. The complex dynamics and interactions between protein molecules and filaments on different…

Dynamical Systems · Mathematics 2022-07-27 Maria-Veronica Ciocanel

Transfer learning where the behavior of extracting transferable knowledge from the source domain(s) and reusing this knowledge to target domain has become a research area of great interest in the field of artificial intelligence.…

Machine Learning · Computer Science 2021-09-29 Junyu Xuan , Jie Lu , Guangquan Zhang

The recent discovery of universal principles underlying many complex networks occurring across a wide range of length scales in the biological world has spurred physicists in trying to understand such features using techniques from…

Biological Physics · Physics 2015-05-13 Sitabhra Sinha

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann…

Machine Learning · Computer Science 2026-02-13 Panagiotis Antoniadis , Beatrice Pavesi , Simon Olsson , Ole Winther

The emergence of biochemical activities in a protein seem to commence with the onset of atomic mean-square displacements along the protein lattice. The ensuing protein dynamical transition has been discussed extensively in the literature,…

Biological Physics · Physics 2011-09-23 Andrey Krokhotin , Antti J. Niemi

Posttranslational modification of proteins is key in transmission of signals in cells. Many signaling pathways contain several layers of modification cycles that mediate and change the signal through the pathway. Here, we study a simple…

Quantitative Methods · Quantitative Biology 2010-12-21 Elisenda Feliu , Michael Knudsen , Lars N. Andersen , Carsten Wiuf

The synthesis of string transformation programs from input-output examples utilizes various techniques, all based on an inductive bias that comprises a restricted set of basic operators to be combined. A new algorithm, Transduce, is…

Machine Learning · Computer Science 2024-01-19 Francis Frydman , Philippe Mangion

We introduce a machine learning approach for extracting fine-grained representations of protein evolution from molecular dynamics datasets. Metastable switching linear dynamical systems extend standard switching models with a…

Machine Learning · Statistics 2016-10-07 Bharath Ramsundar , Vijay S. Pande

Machine learning is widely used to analyze biological sequence data. Non-sequential models such as SVMs or feed-forward neural networks are often used although they have no natural way of handling sequences of varying length. Recurrent…

Quantitative Methods · Quantitative Biology 2016-03-14 Søren Kaae Sønderby , Casper Kaae Sønderby , Henrik Nielsen , Ole Winther

The effectiveness of neural processes (NPs) in modelling posterior prediction maps -- the mapping from data to posterior predictive distributions -- has significantly improved since their inception. This improvement can be attributed to two…

Network science has become an essential interdisciplinary tool for understanding complex biological systems. However, because these systems undergo continuous, often stimulus-driven changes in both structure and function, traditional static…

Molecular Networks · Quantitative Biology 2025-05-19 Abir Khazaal , Fatemeh Vafaee

The dynamical characterization of proteins is crucial to understand protein function. From a microscopic point of view, protein dynamics is governed by the local atomic interactions that, in turn, trigger the functional conformational…

Biomolecules · Quantitative Biology 2010-01-21 Francesco Rao