Search PubMed⌕ Search

Biomedical subjects

Claude Le Bris

Publications and source records attributed to Claude Le Bris.

3 recordsLinked to original sources

A closed-loop identification protocol for nonlinear dynamical systems.

A previous work introduced an optimal identification (OI) technique for reliably extracting model parameters of biochemical reaction systems from tailored laboratory experiments. The notion of optimality enters through seeking an external control in the laboratory producing data that leads to minimum uncertainties in the identified parameter distributions. A number of algorithmic and operational improvements are introduced in this paper to OI, aiming to build a more practical and efficient closed-loop identification protocol/procedure (CLIP) for nonlinear dynamical systems. The improvements in CLIP include (a) inversion cost function modification to preferably search for the upper and lower boundaries of the parameter distributions consistent with the observed data, (b) dynamic search range updating of the unknown parameters to better exploit the information from the prior iterative experiments, (c) replacing the control genetic algorithm by the simplex method to enable better balance between operational cost and inversion quality, and (d) utilizing virtual sensitivity optimization techniques to further reduce the laboratory costs. The workings of CLIP utilizing these new algorithms are illustrated in indentifying a simulated tRNA proofreading model, and the results demonstrate enhanced performance of CLIP in terms of algorithmic reliability and efficiency.

Journal Article↗

High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations.

We introduce high-order formulas for the computation of statistical averages based on the long-time simulation of molecular dynamics trajectories. In some cases, this allows us to significantly improve the convergence rate of time averages toward ensemble averages. We provide some numerical examples that show the efficiency of our scheme. When trajectories are approximated using symplectic integration schemes (such as velocity Verlet), we give some error bounds that allow one to fix the parameters of the computation in order to reach a given desired accuracy in the most efficient manner.

Journal Article↗

Efficient algorithms for the laboratory discovery of optimal quantum controls.

The laboratory closed-loop optimal control of quantum phenomena, expressed as minimizing a suitable cost functional, is currently implemented through an optimization algorithm coupled to the experimental apparatus. In practice, the most commonly used search algorithms are variants of genetic algorithms. As an alternative choice, a direct search deterministic algorithm is proposed in this paper. For the simple simulations studied here, it outperforms the existing approaches. An additional algorithm is introduced in order to reveal some properties of the cost functional landscape.

Journal Article↗