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Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…

Computational Physics · Physics 2020-12-25 Wujie Wang , Simon Axelrod , Rafael Gómez-Bombarelli

Data analysis in science, e.g., high-energy particle physics, is often subject to an intractable likelihood if the observables and observations span a high-dimensional input space. Typically the problem is solved by reducing the…

Data Analysis, Statistics and Probability · Physics 2021-01-14 Stefan Wunsch , Simon Jörger , Roger Wolf , Günter Quast

In this paper, we present a framework for solving continuous optimal control problems when the true system dynamics are approximated through an imperfect model. We derive a control strategy by applying Pontryagin's Minimum Principle to the…

Systems and Control · Electrical Eng. & Systems 2026-03-31 Panagiotis Kounatidis , Andreas A. Malikopoulos

The coupling of human movement dynamics with the function and design of wearable assistive devices is vital to better understand the interaction between the two. Advanced neuromuscular models and optimal control formulations provide the…

Robotics · Computer Science 2018-04-10 Manish Sreenivasa , Matthew Millard , Paul Manns , Katja Mombaur

Reward design is a fundamental problem in reinforcement learning (RL). A misspecified or poorly designed reward can result in low sample efficiency and undesired behaviors. In this paper, we propose the idea of programmatic reward design,…

Machine Learning · Computer Science 2022-01-10 Weichao Zhou , Wenchao Li

This paper aims to introduce a concept of an equilibrium point of a dynamical system which will call it almost global asymptotically stable. A biological prey-predator model is also analyzed with a modification function growth in prey…

Optimization and Control · Mathematics 2020-05-27 Sadiq Al-Nassir

We consider a Bayesian persuasion or information design problem where the sender tries to persuade the receiver to take a particular action via a sequence of signals. This we model by considering multi-phase trials with different…

Theoretical Economics · Economics 2021-11-24 Shih-Tang Su , Vijay G. Subramanian , Grant Schoenebeck

This paper deals with the question of how to most effectively conduct experiments in Partially Observed Markov Decision Processes so as to provide data that is most informative about a parameter of interest. Methods from Markov decision…

Other Statistics · Statistics 2018-01-31 Leifur Thorbergsson , Giles Hooker

Optimal Control Theory is a powerful mathematical tool, which has known a rapid development since the 1950s, mainly for engineering applications. More recently, it has become a widely used method to improve process performance in quantum…

Quantum Physics · Physics 2021-09-16 U. Boscain , M. Sigalotti , D. Sugny

Causal structure learning is a key problem in many domains. Causal structures can be learnt by performing experiments on the system of interest. We address the largely unexplored problem of designing a batch of experiments that each…

Machine Learning · Computer Science 2021-11-25 Scott Sussex , Andreas Krause , Caroline Uhler

Linear regression models are among the models most used in practice, although the practitioners are often not sure whether their assumed linear regression model is at least approximately true. In such situations, only designs for which the…

Statistics Theory · Mathematics 2007-06-13 Wolfgang Bischoff , Frank Miller

We consider the optimal experimental design problem of allocating subjects to treatment or control when subjects participate in multiple, separate controlled experiments within a short time-frame and subject covariate information is…

Methodology · Statistics 2024-12-16 William Fisher , Qiong Zhang , Lulu Kang , Xinwei Deng

Optimal control theory, also known as Pontryagin's Maximum Principle, is applied to the quantum parameter estimation in the presence of decoherence. An efficient procedure is devised to compute the gradient of quantum Fisher information…

Quantum Physics · Physics 2022-05-03 Chungwei Lin , Yanting Ma , Dries Sels

Optimal designs can help experimenters obtain more accurate parameter estimates with reduced experimental time and cost. In this paper, we characterize the Expected Weighted (EW) D-optimal designs as robust designs against unknown parameter…

Methodology · Statistics 2026-04-08 Siting Lin , Yifei Huang , Jie Yang

We develop a new computational approach for "focused" optimal Bayesian experimental design with nonlinear models, with the goal of maximizing expected information gain in targeted subsets of model parameters. Our approach considers…

Computation · Statistics 2019-03-28 Chi Feng , Youssef M. Marzouk

In recent years, considerable work has been done to tackle the issue of designing control laws based on observations to allow unknown dynamical systems to perform pre-specified tasks. At least as important for autonomy, however, is the…

Optimization and Control · Mathematics 2020-05-06 Luiz F. O. Chamon , Santiago Paternain , Alejandro Ribeiro

Many biological, psychological and economic experiments have been designed where an organism or individual must choose between two options that have the same expected reward but differ in the variance of reward received. In this way,…

Quantitative Methods · Quantitative Biology 2018-09-20 Jared M. Field , Michael B. Bonsall

The value of plant model information available in the control design process is discussed. We design optimal state-feedback controllers for interconnected discrete-time linear systems with stochastically-varying parameters. The parameters…

Optimization and Control · Mathematics 2013-12-05 Farhad Farokhi , Karl H. Johansson

Bayesian experimental design involves the optimal allocation of resources in an experiment, with the aim of optimising cost and performance. For implicit models, where the likelihood is intractable but sampling from the model is possible,…

Machine Learning · Statistics 2019-02-26 Steven Kleinegesse , Michael Gutmann

Systems biology seeks to create math models of biological systems to reduce inherent biological complexity and provide predictions for applications such as therapeutic development. However, it remains a challenge to determine which math…

Quantitative Methods · Quantitative Biology 2022-08-05 Vincent D. Zaballa , Elliot E. Hui
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