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Understanding how chemical perturbations propagate through biological systems is essential for robust molecular property prediction. While most existing methods focus on chemical structures alone, recent advances highlight the crucial role…

Machine Learning · Computer Science 2025-11-27 Mengran Li , Zelin Zang , Wenbin Xing , Junzhou Chen , Ronghui Zhang , Jiebo Luo , Stan Z. Li

Field robot systems have recently been applied to a wide range of research fields. Making such systems more automated, advanced, and activated requires cooperation among heterogeneous robots. Classic control theory is inefficient in…

Robotics · Computer Science 2020-02-21 Chanyoung Ju , Hyoung Il Son

Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools.…

Biological Physics · Physics 2019-11-25 Frank Noé , Gianni De Fabritiis , Cecilia Clementi

Molecular dynamics simulations hold great promise for providing insight into the microscopic behavior of complex molecular systems. However, their effectiveness is often constrained by long timescales associated with rare events. Enhanced…

Computational Physics · Physics 2026-03-03 Kai Zhu , Enrico Trizio , Jintu Zhang , Renling Hu , Linlong Jiang , Tingjun Hou , Luigi Bonati

Feedback optimization algorithms compute inputs to a system using real-time output measurements, which helps mitigate the effects of disturbances. However, existing work often models both system dynamics and computations in either discrete…

Systems and Control · Electrical Eng. & Systems 2026-03-23 Oscar Jed Chuy , Matthew Hale , Ricardo Sanfelice

Biopharmaceutical manufacturing is a rapidly growing industry with impact in virtually all branches of medicines. Biomanufacturing processes require close monitoring and control, in the presence of complex bioprocess dynamics with many…

Artificial Intelligence · Computer Science 2022-07-26 Hua Zheng , Wei Xie , Ilya O. Ryzhov , Dongming Xie

Many biological systems are governed by difference equations and exhibit discrete-time dynamics. Examples include the size of a population when generations are non-overlapping, and the incidence of a disease when infections are recorded at…

Populations and Evolution · Quantitative Biology 2025-09-25 Shuyun Jiao , David Waxman

Biological diversity has evolved despite the essentially infinite complexity of protein sequence space. We present a hierarchical approach to the efficient searching of this space and quantify the evolutionary potential of our approach with…

Statistical Mechanics · Physics 2009-10-31 Leonard D. Bogarad , Michael W. Deem

Exchange of biochemical substances is essential way in establishing communication between bacterial cells. It is noticeable that all phases of the process are heavily influenced by perturbations of either internal or external parameters.…

Chaotic Dynamics · Physics 2010-08-18 Igor Balaz , Dragutin T. Mihailovic

For the study of complex synthetic and biological molecular systems by computer simulations one is still restricted to simple model systems or to by far too small time scales. To overcome this problem multiscale techniques are being…

Statistical Mechanics · Physics 2007-05-23 Matej Praprotnik , Kurt Kremer , Luigi Delle Site

In this review we make the statement that hybrid models in oncology are required as a mean for enhanced data integration. In the context of systems oncology, experimental and clinical data need to be at the heart of the models developments…

Quantitative Methods · Quantitative Biology 2019-01-18 Angélique Stéphanou , Pascal Ballet , Gibin Powathil

The motion of a eukaryotic cell presents a variety of interesting and challenging problems from both a modeling and a computational perspective. The processes span many spatial scales (from molecular to tissue) as well as disparate time…

Cell Behavior · Quantitative Biology 2010-11-25 Ben Vanderlei , James J. Feng , Leah Edelstein-Keshet

Hematopoiesis is a complex biological process that leads to the production and regulation of blood cells. It is based upon differentiation of stem cells under the action of growth factors. A mathematical approach of this process is proposed…

Classical Analysis and ODEs · Mathematics 2009-04-17 Mostafa Adimy , Fabien Crauste , Shigui Ruan

Detailed modeling and simulation of biochemical systems is complicated by the problem of combinatorial complexity, an explosion in the number of species and reactions due to myriad protein-protein interactions and post-translational…

Quantitative Methods · Quantitative Biology 2014-05-20 Justin S. Hogg , Leonard A. Harris , Lori J. Stover , Niketh S. Nair , James R. Faeder

Multilevel modeling is increasingly relevant in the context of modelling and simulation since it leads to several potential benefits, such as software reuse and integration, the split of semantically separated levels into sub-models, the…

Performance · Computer Science 2024-03-26 Luca Serena , Moreno Marzolla , Gabriele D'Angelo , Stefano Ferretti

The activity of biological cells is primarily based on chemical reactions and typically modeled as a reaction-diffusion system. Cells are, however, highly crowded with macromolecules, including a variety of molecular machines such as…

Biological Physics · Physics 2018-11-02 Yuichi Togashi

Since the turn of the millennium, computational modelling of biological systems has evolved remarkably and sees matured use spanning basic and clinical research. While the topic of the peri-millennial debate about the virtues and…

Quantitative Methods · Quantitative Biology 2025-08-05 Axel Loewe , Peter J. Hunter , Peter Kohl

Replication time is among the most important components of a bacterial cell's reproductive fitness. Paradoxically, larger cells replicate in less time than smaller cells despite the fact that building a larger cell requires increased…

Neural and Evolutionary Computing · Computer Science 2021-03-16 Lance R. Williams

Bacteria possess diverse mechanisms to regulate their motility in response to environmental and physiological signals, enabling them to navigate complex habitats and adapt their behavior. Among these mechanisms, interspecies recognition…

Populations and Evolution · Quantitative Biology 2025-12-01 Mattia Mattei , David Soriano Paños , Mahantesh Halappanavar , Alex Arenas

Intercellular exchange networks are essential for the adaptive capabilities of populations of cells. While diffusional exchanges have traditionally been difficult to map, recent advances in nanotechnology enable precise probing of exchange…

Statistical Mechanics · Physics 2024-12-13 Luís C. F. Latoski , Andrea De Martino , Daniele De Martino