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A computational method is developed to work on an inverse equilibrium problem with an interest towards applications with protein folding. In general, we are given a set of equilibrium confgiurations and want to derive the most probable…

Biological Physics · Physics 2007-05-23 John P. Donohue

Colloidal self-assembly -- the spontaneous organization of colloids into ordered structures -- has been considered key to produce next-generation materials. However, the present-day staggering variety of colloidal building blocks and the…

Soft Condensed Matter · Physics 2021-06-29 Gabriele Maria Coli , Emanuele Boattini , Laura Filion , Marjolein Dijkstra

Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…

Methodology · Statistics 2017-09-01 Georgios Karagiannis , Bledar A. Konomi , Guang Lin

Recently, machine learning potentials (MLP) largely enhances the reliability of molecular dynamics, but its accuracy is limited by the underlying $\textit{ab initio}$ methods. A viable approach to overcome this limitation is to refine the…

Chemical Physics · Physics 2024-06-28 Bin Han , Kuang Yu

Efficiently harvesting thermodynamic resources requires a precise understanding of their structure. This becomes explicit through the lens of information engines -- thermodynamic engines that use information as fuel. Maximizing the work…

Statistical Mechanics · Physics 2024-02-28 Alexander B. Boyd , James P. Crutchfield , Mile Gu , Felix C. Binder

This paper introduces a machine learning approach to take a nonlinear differential-equation model that exhibits qualitative agreement with a physical experiment over a range of parameter values and produce a hybrid model that also exhibits…

Dynamical Systems · Mathematics 2022-08-24 K. H. Lee , D. A. W. Barton , L. Renson

The overdamped Brownian dynamics of a harmonic oscillator is a paradigmatic system in non-equilibrium statistical mechanics, which reliably models relevant stochastic systems such as colloidal particles submitted to optical confinement. In…

Statistical Mechanics · Physics 2022-09-08 Antonio Patrón , Antonio Prados , Carlos A. Plata

Optimizing the energy efficiency of driving processes provides valuable insights into the underlying physics and is of crucial importance for numerous applications, from biological processes to the design of machines and robots. Knowledge…

Soft Condensed Matter · Physics 2024-04-02 Sarah A. M. Loos , Samuel Monter , Felix Ginot , Clemens Bechinger

Bayesian approaches developed to solve the optimal design of sequential experiments are mathematically elegant but computationally challenging. Recently, techniques using amortization have been proposed to make these Bayesian approaches…

Machine Learning · Computer Science 2022-06-20 Tom Blau , Edwin V. Bonilla , Iadine Chades , Amir Dezfouli

Computationally modeling the behavior of wavelength-sized non-spherical particles in optical tweezers can give insight into the existence and stability of trapping equilibria as well as the optical manipulation of such particles more…

Optics · Physics 2020-12-02 Wyatt Vigilante , Oscar Lopez , Jerome Fung

Probabilistic vehicle trajectory prediction is essential for robust safety of autonomous driving. Current methods for long-term trajectory prediction cannot guarantee the physical feasibility of predicted distribution. Moreover, their…

Machine Learning · Computer Science 2019-11-13 Chen Tang , Jianyu Chen , Masayoshi Tomizuka

Microscopic particle separation plays vital role in various scientific and industrial domains. In this Letter, we propose a universal non-equilibrium thermodynamic approach, employing the concept of Shortcuts to Isothermality, to realize…

Statistical Mechanics · Physics 2026-05-19 Xiu-Hua Zhao , Z. C. Tu , Yu-Han Ma

This paper presents a machine learning approach for tuning the parameters of a family of stabilizing controllers for orbital tracking. An augmented random search algorithm is deployed, which aims at minimizing a cost function combining…

Systems and Control · Electrical Eng. & Systems 2023-08-08 Gianni Bianchini , Andrea Garulli , Antonio Giannitrapani , Mirko Leomanni , Renato Quartullo

Thermoelectric generation (TEG) has increasingly drawn attention for being environmentally friendly. A few researches have focused on improving TEG efficiency at the system level on vehicle radiators. The most recent reconfiguration…

Other Computer Science · Computer Science 2018-04-06 Hanchen Yang , Feiyang Kang , Caiwen Ding , Ji Li , Jaemin Kim , Donkyu Baek , Shahin Nazarian , Xue Lin , Paul Bogdan , Naehyuck Chang

The development of efficient artificial nanodevices poses challenges which are of fundamental and technological nature. Recent progress has been made in the context of finite-time thermodynamics. A central question in finite-time…

Statistical Mechanics · Physics 2014-03-18 Mario Einax

Recent studies have explored finite-time dissipation-minimizing protocols for stochastic thermodynamic systems driven arbitrarily far from equilibrium, when granted full external control to drive the system. However, in both simulation and…

Statistical Mechanics · Physics 2022-10-27 Adrianne Zhong , Michael R. DeWeese

We investigate a Brownian heat engine wherein a particle moves through a periodic ratchet potential under an exponentially decreasing temperature profile, a spatial configuration that closely resembles experimentally realizable conditions…

Statistical Mechanics · Physics 2025-09-26 Mesfin Asfaw Taye

Trajectory optimization using a learned model of the environment is one of the core elements of model-based reinforcement learning. This procedure often suffers from exploiting inaccuracies of the learned model. We propose to regularize…

Machine Learning · Computer Science 2019-12-30 Rinu Boney , Norman Di Palo , Mathias Berglund , Alexander Ilin , Juho Kannala , Antti Rasmus , Harri Valpola

Model order reduction is a technique that is used to construct low-order approximations of large-scale dynamical systems. In this paper, we investigate a balancing based model order reduction method for dynamical systems with a linear…

Optimization and Control · Mathematics 2019-09-11 Peter Benner , Pawan Goyal , Igor Pontes Duff

The number of electrified powertrains is ever increasing today towards a more sustainable future; thus, it is essential that unwanted failures are prevented, and a reliable operation is secured. Monitoring the internal temperatures of…

Machine Learning · Computer Science 2025-04-28 Dinan Li , Panagiotis Kakosimos