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Bayesian inverse problems use observed data to update a prior probability distribution for an unknown state or parameter of a scientific system to a posterior distribution conditioned on the data. In many applications, the unknown parameter…

Numerical Analysis · Mathematics 2026-05-12 Josie König , Elizabeth Qian , Melina A. Freitag

Adapting pretrained diffusion models to downstream objectives such as inverse problems often requires expensive test-time guidance or optimization. We propose a principled framework for generating high-quality reward-aligned samples at…

Machine Learning · Computer Science 2026-05-22 Kushagra Pandey , Farrin Marouf Sofian , Jan Niklas Groeneveld , Felix Draxler , Stephan Mandt

The quasi-steady state approximation and time-scale separation are commonly applied methods to simplify models of biochemical reaction networks based on ordinary differential equations (ODEs). The concentrations of the "fast" species are…

Dynamical Systems · Mathematics 2016-05-10 Meritxell Sáez , Carsten Wiuf , Elisenda Feliu

The problem of selection, storage, search and analysis of information about the state, functioning and interaction of elements of complex hierarchical network systems is considered. The principles of construction of information models of…

Physics and Society · Physics 2021-06-17 Olexandr Polishchuk , Mykhailo Yadzhak

Several different methods exist for efficient approximation of paths in multiscale stochastic chemical systems. Another approach is to use bursts of stochastic simulation to estimate the parameters of a stochastic differential equation…

Numerical Analysis · Mathematics 2014-12-19 Simon Cotter , Radek Erban

The stochastic reaction network in which chemical species evolve through a set of reactions is widely used to model stochastic processes in physics, chemistry and biology. To characterize the evolving joint probability distribution in the…

Molecular Networks · Quantitative Biology 2023-02-08 Ying Tang , Jiayu Weng , Pan Zhang

We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address…

Chemical Physics · Physics 2023-09-20 Tsuyoshi Mizohata , Tetsuya J. Kobayashi , Louis-S. Bouchard , Hideyuki Miyahara

Variational methods have proven to be excellent tools to approximate ground states of complex many body Hamiltonians. Generic tools like neural networks are extremely powerful, but their parameters are not necessarily physically motivated.…

Strongly Correlated Electrons · Physics 2022-03-04 Agnes Valenti , Eliska Greplova , Netanel H. Lindner , Sebastian D. Huber

Though ubiquitous as first-principles models for conservative phenomena, Hamiltonian systems present numerous challenges for model reduction even in relatively simple, linear cases. Here, we present a method for the projection-based model…

Numerical Analysis · Mathematics 2024-07-12 Anthony Gruber , Irina Tezaur

A wide variety of real life complex networks are prohibitively large for modeling, analysis and control. Understanding the structure and dynamics of such networks entails creating a smaller representative network that preserves its relevant…

Distributed systems, such as biological and artificial neural networks, process information via complex interactions engaging multiple subsystems, resulting in high-order patterns with distinct properties across scales. Investigating how…

Information Theory · Computer Science 2025-04-23 Aaron J. Gutknecht , Fernando E. Rosas , David A. Ehrlich , Abdullah Makkeh , Pedro A. M. Mediano , Michael Wibral

Efficiently estimating system dynamics from data is essential for minimizing data collection costs and improving model performance. This work addresses the challenge of designing future control inputs to maximize information gain, thereby…

Systems and Control · Electrical Eng. & Systems 2025-04-29 Joshua Ott , Mykel J. Kochenderfer , Stephen Boyd

Reduced order models are computationally inexpensive approximations that capture the important dynamical characteristics of large, high-fidelity computer models of physical systems. This paper applies machine learning techniques to improve…

Machine Learning · Computer Science 2015-11-11 Azam Moosavi , Razvan Stefanescu , Adrian Sandu

We present a novel and simple method to numerically calculate Fisher Information Matrices for stochastic chemical kinetics models. The linear noise approximation is used to derive model equations and a likelihood function which leads to an…

Applications · Statistics 2015-05-27 Michal Komorowski , Maria J. Costa , David A. Rand , Michael Stumpf

In this paper, a methodology is proposed that enables to analyze the sensitivity of the outcome of a therapy to unavoidable high dispersion of the patient specific parameters on one hand and to the choice of the parameters that define the…

Systems and Control · Electrical Eng. & Systems 2022-05-17 Mazen Alamir

We advocate the use of qualitative models in the analysis of large biological systems. We show how qualitative models are linked to theoretical differential models and practical graphical models of biological networks. A new technique for…

Molecular Networks · Quantitative Biology 2007-05-23 Philippe Veber , Michel Le_Borgne , Anne Siegel , Sandrine Lagarrigue , Ovidiu Radulescu

In this study, we introduce a sensitivity analysis methodology for stochastic systems in chemistry, where dynamics are often governed by random processes. Our approach is based on gradient estimation via finite differences, averaging…

Quantitative Methods · Quantitative Biology 2026-01-12 Erika M. Herrera Machado , Jakob L. Andersen , Rolf Fagerberg , Daniel Merkle

We present a scheme for sequential decision making with a risk-sensitive objective and constraints in a dynamic environment. A neural network is trained as an approximator of the mapping from parameter space to space of risk and policy with…

Artificial Intelligence · Computer Science 2019-07-10 Shuai Ma , Jia Yuan Yu , Ahmet Satir

Many real-world systems can be described by mathematical models that are human-comprehensible, easy to analyze and help explain the system's behavior. Symbolic regression is a method that can automatically generate such models from data.…

Neural and Evolutionary Computing · Computer Science 2023-06-28 Jiří Kubalík , Erik Derner , Robert Babuška

Adaptive networks are well-suited to perform decentralized information processing and optimization tasks and to model various types of self-organized and complex behavior encountered in nature. Adaptive networks consist of a collection of…

Multiagent Systems · Computer Science 2013-05-07 Ali H. Sayed