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The function of biomolecules such as proteins depends on their ability to interconvert between a wide range of structures or "conformations." Researchers have endeavored for decades to develop computational methods to predict the…

Biomolecules · Quantitative Biology 2026-02-05 Daniel D. Richman , Jessica Karaguesian , Carl-Mikael Suomivuori , Ron O. Dror

Any organism is embedded in an environment that changes over time. The timescale for and statistics of environmental change, the precision with which the organism can detect its environment, and the costs and benefits of particular protein…

Quantitative Methods · Quantitative Biology 2023-07-19 David A. Sivak , Matt Thomson

Cancer progression and monotonic accumulation models were developed to discover dependencies in the irreversible acquisition of binary traits from cross-sectional data. They have been used in computational oncology and virology but also in…

Populations and Evolution · Quantitative Biology 2025-05-12 Ramon Diaz-Uriarte , Iain G. Johnston

Decisions about health interventions are often made using limited evidence. Mathematical models used to inform such decisions often include uncertainty analysis to account for the effect of uncertainty in the current evidence base on…

Applications · Statistics 2021-11-30 Rowan Iskandar

Mathematical models in epidemiology are an indispensable tool to determine the dynamics and important characteristics of infectious diseases. Apart from their scientific merit, these models are often used to inform political decisions and…

Modern buildings encompass complex dynamics of multiple electrical, mechanical, and control systems. One of the biggest hurdles in applying conventional model-based optimization and control methods to building energy management is the huge…

Optimization and Control · Mathematics 2017-11-08 Yize Chen , Yuanyuan Shi , Baosen Zhang

Untargeted metabolomics based on liquid chromatography-mass spectrometry technology is quickly gaining widespread application given its ability to depict the global metabolic pattern in biological samples. However, the data is noisy and…

Methodology · Statistics 2026-03-24 Guoxuan Ma , Jian Kang , Tianwei Yu

Cellular differentiation is governed by gene regulatory networks, the high-dimensional stochastic biochemical systems that determine the transcriptional landscape and mediate cellular responses to signals and perturbations. Although…

Molecular Networks · Quantitative Biology 2026-04-29 Suryanarayana Maddu , Victor Chardès , Michael J. Shelley

Quantitative studies of cell metabolism are often based on large chemical reaction network models. A steady state approach is suited to analyze phenomena on the timescale of cell growth and circumvents the problem of incomplete experimental…

Molecular Networks · Quantitative Biology 2019-02-20 A. De Martino , D. De Martino , E. Marinari

Production of chemicals from engineered organisms in a batch culture involves an inherent trade-off between productivity, yield, and titer. Existing strategies for strain design typically focus on designing mutations that achieve the…

Quantitative Methods · Quantitative Biology 2016-10-05 Peter C. St. John , Michael F. Crowley , Yannick J. Bomble

We propose a discrete model to determine the metabolic scaling exponent based on Fibonacci growth patterns and discrete biological development phases. In contrast to continuous fractal models such as the West-Brown-Enquist (WBE) theory, the…

Biological Physics · Physics 2026-05-27 Dorilson Silva Cambui

This paper presents a statistically sound method for measuring the accuracy with which a probabilistic model reflects the growth of a network, and a method for optimising parameters in such a model. The technique is data-driven, and can be…

Networking and Internet Architecture · Computer Science 2009-04-07 Richard Clegg , Raul Landa , Uli Harder , Miguel Rio

Sampling-based methods, e.g., Deep Ensembles and Bayesian Neural Nets have become promising approaches to improve the quality of uncertainty estimation and robust generalization. However, they suffer from a large model size and high latency…

Machine Learning · Computer Science 2024-05-29 Ha Manh Bui , Anqi Liu

Diffusion models (DMs) have become the dominant paradigm of generative modeling in a variety of domains by learning stochastic processes from noise to data. Recently, diffusion denoising bridge models (DDBMs), a new formulation of…

Machine Learning · Computer Science 2024-11-01 Guande He , Kaiwen Zheng , Jianfei Chen , Fan Bao , Jun Zhu

We introduce a methodology to study the possible matter flows of an ecosystem defined by observational biomass data and realistic biological constraints. The flows belong to a polyhedron in a multi dimensional space making statistical…

Adaptation and Self-Organizing Systems · Physics 2021-02-04 Jean-Guy Caputo , Valerie Girardin , Arnaud Knippel , Hieu Nguyen , Nathalie Niquil , Quentin Nogues

Understanding the organization of reaction fluxes in cellular metabolism from the stoichiometry and the topology of the underlying biochemical network is a central issue in systems biology. In this task, it is important to devise reasonable…

Molecular Networks · Quantitative Biology 2009-11-13 C. Martelli , A. De Martino , E. Marinari , M. Marsili , I. Perez Castillo

Motivated by critical challenges and needs from biopharmaceuticals manufacturing, we propose a general metamodel-assisted stochastic simulation uncertainty analysis framework to accelerate the development of a simulation model with modular…

Methodology · Statistics 2022-09-07 Wei Xie , Russell R. Barton , Barry L. Nelson , Keqi Wang

Generative diffusion models, notable for their large parameter count (exceeding 100 million) and operation within high-dimensional image spaces, pose significant challenges for traditional uncertainty estimation methods due to computational…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Lucas Berry , Axel Brando , David Meger

For the application of MPC design in on-line regulation or tracking control problems, several studies have attempted to develop an accurate model, and realize adequate uncertainty description of linear or non-linear plants of the processes.…

Optimization and Control · Mathematics 2019-04-03 Yuanqiang Zhou , Dewei Li , Yugeng Xi , Zhongxue Gan

In this paper, we generalize the minimum flow decomposition problem (MFD) to incorporate uncertain edge capacities and tackle it from the perspective of robust optimization. In the classical flow decomposition problem, a network flow is…

Optimization and Control · Mathematics 2025-10-17 Moritz Stinzendörfer , Philine Schiewe , Fabricio Oliveira
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