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Multi-component self-assembly mixtures offer the possibility of encoding multiple target structures with the same set of interacting components. Selective retrieval of one of the stored structures has been attempted by preparing an initial…

Soft Condensed Matter · Physics 2022-03-23 Arunkumar Bupathy , Daan Frenkel , Srikanth Sastry

Markov state models (MSMs) have been widely used to analyze computer simulations of various biomolecular systems. They can capture conformational transitions much slower than an average or maximal length of a single molecular dynamics (MD)…

Biomolecules · Quantitative Biology 2018-02-14 Anton V. Sinitskiy , Vijay S. Pande

Optimal processes in stochastic thermodynamics are a frontier for understanding the control and design of non-equilibrium systems, with broad practical applications in biology, chemistry, and nanoscale/mesoscale systems. Optimal mass…

Statistical Mechanics · Physics 2026-01-15 Atul Tanaji Mohite , Heiko Rieger

Platooning connected and autonomous vehicles (CAVs) provide significant benefits in terms of traffic efficiency and fuel economy. However, most existing platooning systems assume the availability of pre-determined plans, which is not…

Systems and Control · Electrical Eng. & Systems 2023-08-09 Xi Xiong , Maonan Wang , Dengfeng Sun , Li Jin

Many state of the art methods for the thermodynamic and kinetic characterization of large and complex biomolecular systems by simulation rely on ensemble approaches, where data from large numbers of relatively short trajectories are…

Data Analysis, Statistics and Probability · Physics 2017-04-05 Feliks Nüske , Hao Wu , Jan-Hendrik Prinz , Christoph Wehmeyer , Cecilia Clementi , Frank Noé

A Markov decision process (MDP) framework is adopted to represent ensemble control of devices with cyclic energy consumption patterns, e.g., thermostatically controlled loads. Specifically we utilize and develop the class of MDP models…

Systems and Control · Computer Science 2017-10-24 Michael Chertkov , Vladimir Y. Chernyak , Deepjyoti Deka

Controlling the evolution of nonequilibrium systems to minimize dissipated heat or work is a key goal for designing nanodevices, both in nanotechnology and biology. Progress in computing optimal protocols has thus far been limited to either…

Computational Physics · Physics 2022-01-04 Megan C. Engel , Jamie A. Smith , Michael P. Brenner

In this paper, we present an iterative Model Predictive Control (MPC) design for piecewise nonlinear systems. We consider finite time control tasks where the goal of the controller is to steer the system from a starting configuration to a…

Systems and Control · Electrical Eng. & Systems 2021-06-02 Ugo Rosolia , Aaron D. Ames

The ability to design and synthesize ever more complicated colloidal particles opens the possibility of self-assembling a zoo of complex structures, including those with one or more self-limited length scales. An undesirable feature of…

Soft Condensed Matter · Physics 2022-03-02 Thomas E. Videbæk , Huang Fang , Daichi Hayakawa , Botond Tyukodi , Michael F. Hagan , W. Benjamin Rogers

We propose a novel flexible-step model predictive control algorithm for unknown linear time-invariant discrete-time systems. The goal is to asymptotically stabilize the system without relying on a pre-collected dataset that describes its…

Optimization and Control · Mathematics 2025-10-02 Markus Pietschner , Christian Ebenbauer , Bahman Gharesifard , Raik Suttner

Near equilibrium, thermodynamic intuition suggests that fast, irreversible processes will dissipate more energy and entropy than slow, quasistatic processes connecting the same initial and final states. Here, we test the hypothesis that…

Statistical Mechanics · Physics 2022-12-07 Rebecca A. Bone , Daniel J. Sharpe , David J. Wales , Jason R. Green

Up to now, the nonparametric analysis of multidimensional continuous-time Markov processes has focussed strongly on specific model choices, mostly related to symmetry of the semigroup. While this approach allows to study the performance of…

Statistics Theory · Mathematics 2022-11-04 Niklas Dexheimer , Claudia Strauch , Lukas Trottner

In this paper, we consider a class of stochastic optimal control problems with risk constraints that are expressed as bounded probabilities of failure for particular initial states. We present here a martingale approach that diffuses a risk…

Systems and Control · Computer Science 2015-07-09 Vu Anh Huynh , Leonid Kogan , Emilio Frazzoli

One often encounters the curse of dimensionality in the application of dynamic programming to determine optimal policies for controlled Markov chains. In this paper, we provide a method to construct sub-optimal policies along with a bound…

Systems and Control · Computer Science 2011-08-17 Myoungkuk Park , Krishnamoorthy Kalyanam , Swaroop Darbha , Phil Chandler , Meir Pachter

We present an algorithm for controlling and scheduling multiple linear time-invariant processes on a shared bandwidth limited communication network using adaptive sampling intervals. The controller is centralized and computes at every…

Systems and Control · Computer Science 2015-06-25 Erik Henriksson , Daniel E. Quevedo , Edwin G. W. Peters , Henrik Sandberg , Karl Henrik Johansson

The optimal robot assembly planning problem is challenging due to the necessity of finding the optimal solution amongst an exponentially vast number of possible plans, all while satisfying a selection of constraints. Traditionally, robotic…

Robotics · Computer Science 2025-02-25 Kartik Nagpal , Negar Mehr

This study presents an extension of multiscale topology optimization by integrating both yield stress and local/global buckling considerations into the design process. Building upon established multiscale methodologies, we develop a new…

Computational Engineering, Finance, and Science · Computer Science 2025-05-08 Christoffer Fyllgraf Christensen , Fengwen Wang , Ole Sigmund

In equilibrium self-assembly, microscopic building blocks spontaneously self-organize into stable structures as dictated by their interaction potentials, which limits the accessible structural features to those that correspond to global…

Soft Condensed Matter · Physics 2026-04-17 Pepijn G. Moerman , Chenghung Chou , Thomas E. Videbæk , W. Benjamin Rogers , Rebecca Schulman

Optimal policies in Markov decision processes (MDPs) are very sensitive to model misspecification. This raises serious concerns about deploying them in high-stake domains. Robust MDPs (RMDP) provide a promising framework to mitigate…

Machine Learning · Computer Science 2019-12-06 Reazul Hasan Russel , Bahram Behzadian , Marek Petrik

In this paper, we focus on formal synthesis of control policies for finite Markov decision processes with non-negative real-valued costs. We develop an algorithm to automatically generate a policy that guarantees the satisfaction of a…

Logic in Computer Science · Computer Science 2013-09-10 Maria Svorenova , Ivana Cerna , Calin Belta