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Projection-based reduced order models are effective at approximating parameter-dependent differential equations that are parametrically separable. When parametric separability is not satisfied, which occurs in both linear and nonlinear…

Numerical Analysis · Mathematics 2021-10-22 Peter Sentz , Kristian Beckwith , Eric C. Cyr , Luke N. Olson , Ravi Patel

Predicting stochastic cellular dynamics as emerging from the mechanistic models of molecular interactions is a long-standing challenge in systems biology: low-level chemical reaction network (CRN) models give raise to a highly-dimensional…

Molecular Networks · Quantitative Biology 2020-02-06 Tatjana Petrov , Denis Repin

In this paper we propose a model-order reduction method for chemical reaction networks governed by general enzyme kinetics, including the mass-action and Michaelis-Menten kinetics. The model-order reduction method is based on the Kron…

Systems and Control · Computer Science 2012-12-12 Shodhan Rao , Arjan van der Schaft , Karen van Eunen , Barbara M. Bakker , Bayu Jayawardhana

It is well known that the linear-noise approximation (LNA) exactly agrees with the chemical master equation, up to second-order moments, for chemical systems composed of zero and first-order reactions. Here we show that this is also a…

Statistical Mechanics · Physics 2015-10-28 Ramon Grima

We study a generalized framework for structured sparsity. It extends the well-known methods of Lasso and Group Lasso by incorporating additional constraints on the variables as part of a convex optimization problem. This framework provides…

Machine Learning · Computer Science 2011-06-28 Andreas Argyriou , Luca Baldassarre , Jean Morales , Massimiliano Pontil

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

Machine Learning · Computer Science 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

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

Multiple model reduction techniques have been proposed to tackle linear and non linear problems. Intrusive model order reduction techniques exhibit high accuracy levels, however, they are rarely used as a standalone industrial tool, because…

Computational Engineering, Finance, and Science · Computer Science 2025-04-10 Mikhael Tannous , Chady Ghnatios , Eivind Fonn , Trond Kvamsdal , Francisco Chinesta

We propose a new supervised dimensionality reduction technique called Supervised Linear Centroid-Encoder (SLCE), a linear counterpart of the nonlinear Centroid-Encoder (CE) \citep{ghosh2022supervised}. SLCE works by mapping the samples of a…

Machine Learning · Computer Science 2023-06-08 Tomojit Ghosh , Michael Kirby

Novel sparse reconstruction algorithms are proposed for beamspace channel estimation in massive multiple-input multiple-output systems. The proposed algorithms minimize a least-squares objective having a nonconvex regularizer. This…

Information Theory · Computer Science 2021-12-02 Pengxia Wu , Julian Cheng

We consider a sketched implementation of the finite element method for elliptic partial differential equations on high-dimensional models. Motivated by applications in real-time simulation and prediction we propose an algorithm that…

Numerical Analysis · Mathematics 2020-04-22 Robert Lung , Yue Wu , Dimitris Kamilis , Nick Polydorides

The linear noise approximation is commonly used to obtain intrinsic noise statistics for biochemical networks. These estimates are accurate for networks with large numbers of molecules. However it is well known that many biochemical…

Quantitative Methods · Quantitative Biology 2013-01-16 Philipp Thomas , Hannes Matuschek , Ramon Grima

Analysis of large continuous-time stochastic systems is a computationally intensive task. In this work we focus on population models arising from chemical reaction networks (CRNs), which play a fundamental role in analysis and design of…

Systems and Control · Computer Science 2019-05-27 Milan Češka , Jan Křetínský

This paper presents an efficient method to perform Structured Matrix Approximation by Separation and Hierarchy (SMASH), when the original dense matrix is associated with a kernel function. Given points in a domain, a tree structure is first…

Numerical Analysis · Mathematics 2017-05-17 Difeng Cai , Edmond Chow , Yousef Saad , Yuanzhe Xi

We address the problem of simulation and parameter inference for chemical reaction networks described by the chemical Langevin equation, a stochastic differential equation (SDE) representation of the dynamics of the chemical species. This…

Methodology · Statistics 2025-08-18 Petar Jovanovski , Andrew Golightly , Umberto Picchini , Massimiliano Tamborrino

We propose a direct optimization framework for learning reduced and sparse chemical reaction networks (CRNs) from time-series trajectory data. In contrast to widely used indirect methods-such as those based on sparse identification of…

Molecular Networks · Quantitative Biology 2025-08-27 Maurice Filo , Mustafa Khammash

Clustering by projection has been proposed as a way to preserve network structure in linear multi-agent systems. Here, we extend this approach to a class of nonlinear network systems. Additionally, we generalize our clustering method which…

Numerical Analysis · Mathematics 2022-04-01 Peter Benner , Sara Grundel , Petar Mlinarić

In order to function reliably, synthetic molecular circuits require mechanisms that allow them to adapt to environmental disturbances. Least mean squares (LMS) schemes, such as commonly encountered in signal processing and control, provide…

Molecular Networks · Quantitative Biology 2017-01-04 Christoph Zechner , Mustafa Khammash

Simplified stochastic models are widely used in the study of frequency-resolved noise propagation in biochemical reaction networks, a common measure being the coherence between random fluctuations in molecule number trajectories. Such…

Molecular Networks · Quantitative Biology 2025-11-03 Juan David Marmolejo Lozano , Nikola Popovic , Ramon Grima

Structural learning, a method to estimate the parameters for discrete energy minimization, has been proven to be effective in solving computer vision problems, especially in 3D scene parsing. As the complexity of the models increases,…

Computer Vision and Pattern Recognition · Computer Science 2017-01-13 Mengtian Li , Daniel Huber