English
Related papers

Related papers: Accelerating flux balance calculations in genome-s…

200 papers

A novel framework for closed-loop control of turbulent flows is tested in an experimental mixing layer flow. This framework, called Machine Learning Control (MLC), provides a model-free method of searching for the best function, to be used…

Wireless network scheduling and control techniques (e.g., opportunistic scheduling) rely heavily on access to Channel State Information (CSI). However, obtaining this information is costly in terms of bandwidth, time, and power, and could…

Information Theory · Computer Science 2014-04-29 Yin Sun , C. Emre Koksal , Sung-Ju Lee , Ness B. Shroff

To develop and investigate detailed mathematical models of cellular metabolic processes is one of the primary challenges in systems biology. However, despite considerable advance in the topological analysis of metabolic networks, explicit…

Molecular Networks · Quantitative Biology 2007-05-23 Ralf Steuer , Thilo Gross , Joachim Selbig , Bernd Blasius

Metabolic heterogeneity is widely recognised as the next challenge in our understanding of non-genetic variation. A growing body of evidence suggests that metabolic heterogeneity may result from the inherent stochasticity of intracellular…

Molecular Networks · Quantitative Biology 2020-10-08 Mona K Tonn , Philipp Thomas , Mauricio Barahona , Diego A Oyarzún

Machine-learned interatomic potentials (MLIPs) are increasingly used to replace computationally demanding electronic-structure calculations to model matter at the atomic scale. The most commonly used model architectures are constrained to…

Chemical Physics · Physics 2026-03-30 Filippo Bigi , Paolo Pegolo , Arslan Mazitov , Jonathan Schmidt , Michele Ceriotti

Experimental results on the immune response to cancer indicate that activation of cytotoxic T lymphocytes (CTLs) through interactions with dendritic cells (DCs) can trigger a change in CTL migration patterns. In particular, while CTLs in…

Cell Behavior · Quantitative Biology 2021-09-16 Gissell Estrada-Rodriguez , Tommaso Lorenzi

The scaling of the exact solution of a hyperbolic balance law generates a family of scaled problems in which the source term does not depend on the current solution. These problems are used to construct a sequence of solutions whose…

Numerical Analysis · Mathematics 2020-07-21 Gino I. Montecinos

Coarse-grained (CG) molecular simulations have become a standard tool to study molecular processes on time- and length-scales inaccessible to all-atom simulations. Parameterizing CG force fields to match all-atom simulations has mainly…

Computational Physics · Physics 2023-02-07 Jonas Köhler , Yaoyi Chen , Andreas Krämer , Cecilia Clementi , Frank Noé

System and synthetic biology are rapidly evolving systems, but both lack tools such as those used in engineering environments to shift the their focus from the design of parts (details) to the design of systems (behaviors); to aggravate,…

Emerging Technologies · Computer Science 2015-07-29 Ricardo Henrique Gracini Guiraldelli , Vincenzo Manca

Tensor computations--in particular tensor contraction (TC)--are important kernels in many scientific computing applications. Due to the fundamental similarity of TC to matrix multiplication (MM) and to the availability of optimized…

Mathematical Software · Computer Science 2025-03-26 Devin A. Matthews

Flash memory devices are winning the competition for storage density against magnetic recording devices. This outcome results from advances in physics that allow storage of more than one bit per cell, coupled with advances in signal…

Information Theory · Computer Science 2020-12-09 Ahmed Hareedy , Beyza Dabak , Robert Calderbank

The analysis of non-equilibrium steady states of biochemical reaction networks relies on finding the configurations of fluxes and chemical potentials satisfying stoichiometric (mass balance) and thermodynamic (energy balance) constraints.…

Molecular Networks · Quantitative Biology 2011-07-13 Daniele De Martino , Matteo Figliuzzi , Andrea De Martino , Enzo Marinari

We propose a general model-free strategy for feedback control design of turbulent flows. This strategy called 'machine learning control' (MLC) is capable of exploiting nonlinear mechanisms in a systematic unsupervised manner. It relies on…

Efficient analysis and simulation of multiscale stochastic systems of chemical kinetics is an ongoing area for research, and is the source of many theoretical and computational challenges. In this paper, we present a significant improvement…

Numerical Analysis · Mathematics 2016-09-21 Simon Cotter

In this paper, we use Time Scale Calculus (TSC) to formulate and solve pharmacokinetic models exploring multiple dose dynamics. TSC is a mathematical framework that allows the modeling of dynamical systems comprising continuous and discrete…

Dynamical Systems · Mathematics 2024-04-10 Santiago Torres Paz , Jose Ricardo Arteaga Bejarano

13C-Metabolic Flux Analysis (13C-MFA) and Flux Balance Analysis (FBA) are widely used to investigate the operation of biochemical networks in both biological and biotechnological research. Both of these methods use metabolic reaction…

Molecular Networks · Quantitative Biology 2023-03-23 Joshua A. M. Kaste , Yair Shachar-Hill

Modern scientific simulations generate massive volumes of data, creating significant challenges for I/O and storage systems. Error-bounded lossy compression (EBLC) offers a solution by reducing data set sizes while preserving data quality…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-16 Grant Wilkins , Sheng Di , Jon C. Calhoun , Robert Underwood , Franck Cappello

Recently there has been a lot of interest in identifying modules at the level of genetic and metabolic networks of organisms, as well as in identifying single genes and reactions that are essential for the organism. A goal of computational…

Molecular Networks · Quantitative Biology 2007-05-23 Areejit Samal , Shalini Singh , Varun Giri , Sandeep Krishna , N. Raghuram , Sanjay Jain

Cells can use periodic enzyme activities to adapt to periodic environments or existing internal rhythms and to establish metabolic cycles that schedule biochemical processes in time. A periodically changing allocation of the protein budget…

Molecular Networks · Quantitative Biology 2022-10-05 Wolfram Liebermeister

Adaptive lattice Boltzmann methods (LBMs) are based on velocity discretizations that self-adjust to local macroscopic conditions such as velocity and temperature. While this feature improves the accuracy and the stability of LBMs for large…

Computational Physics · Physics 2020-11-04 C. Coreixas , J. Latt