相关论文: Optimal designs for enzyme inhibition kinetic mode…

We present a method of solving the T-optimal design problem for nonlinear dynamical systems using dynamic programming. In contrast with previous dynamic programming formulations, we avoid adding an equation for the dispersion to the system…

The dynamic mode decomposition (DMD) has become a leading tool for data-driven modeling of dynamical systems, providing a regression framework for fitting linear dynamical models to time-series measurement data. We present a simple…

In this work, we investigate the performance CutFEM as a high fidelity solver as well as we construct a competent and economical reduced order solver for PDE-constrained optimization problems in parametrized domains that live in a fixed…

We have a general knowledge of the principles by which catalysts accelerate the rate of chemical reactions but no precise understanding of the geometrical and physical constraints to which their design is subject. To analyze these…

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is…

We show how to compute globally optimal solutions to inverse kinematics (IK) by formulating the problem as an indefinite quadratically constrained quadratic program. Our approach makes it feasible to solve IK instances of generic redundant…

This paper studies circular designs for interference models, where a treatment assigned to a plot also affects its neighboring plots within a block. For the purpose of estimating total effects, the circular neighbor balanced design was…

In clinical trials, the response of a given subject often depends on the selected treatment as well as on some covariates. We study optimal approximate designs of experiments in the models with treatment and covariate effects. We allow for…

This paper studies existing direct transcription methods for trajectory optimization applied to robot motion planning. There are diverse alternatives for the implementation of direct transcription. In this study we analyze the effects of…

Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it…

A new class of implicit-explicit (IMEX) methods combined with a p-adaptive mixed finite element formulation is proposed to simulate the diffusion of reacting species. Hierarchical polynomial functions are used to construct an…

We present a nonlinear non-convex model predictive control approach to solving a real-world labyrinth game. We introduce adaptive nonlinear constraints, representing the non-convex obstacles within the labyrinth. Our method splits the…

The task of finding the smallest energy needed to bring a solid to its onset of mechanical instability arises in many problems in materials science, from the determination of the elasticity limit to the consistent assignment of free…

In this paper we consider two-stage adaptive dose-response study designs, where the study design is changed at an interim analysis based on the information collected so far. In a simulation study, two approaches will be compared for these…

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…

We develop a geometrically intrinsic formulation of the arbitrary-order Virtual Element Method (VEM) on polygonal cells for the numerical solution of elliptic surface partial differential equations (PDEs). The PDE is first written in…

Cataloging the complex behaviors of dynamical systems can be challenging, even when they are well-described by a simple mechanistic model. If such a system is of limited analytical tractability, brute force simulation is often the only…

Optimum experimental design theory has recently been extended for parameter estimation in copula models. However, the choice of the correct dependence structure still requires wider analyses. In this work the issue of copula selection is…

In this article, we develop a posteriori error analysis of a nonconforming finite element method for a linear quadratic elliptic distributed optimal control problem with two different set of constraints, namely (i) integral state constraint…

Finding optimal pathways in chemical reaction networks is essential for elucidating and designing chemical processes, with significant applications such as synthesis planning and metabolic pathway analysis. Such a chemical pathway-finding…