Related papers: Analytical coarse grained potential parameterizati…
Molecular dynamics (MD) simulations are essential for studying complex molecular systems, but their high computational cost limits scalability. Coarse-grained (CG) models reduce this cost by simplifying the system, yet traditional…
Reinforcement learning (RL) can be used to tune data-driven (economic) nonlinear model predictive controllers ((e)NMPCs) for optimal performance in a specific control task by optimizing the dynamic model or parameters in the policy's…
Goal-conditioned reinforcement learning (GCRL) has a wide range of potential real-world applications, including manipulation and navigation problems in robotics. Especially in such robotics tasks, sample efficiency is of the utmost…
This article introduces a novel framework for data-driven linear quadratic regulator (LQR) design. First, we introduce a reinforcement learning paradigm for on-policy data-driven LQR, where exploration and exploitation are simultaneously…
Computer simulations can provide mechanistic insight into ionic liquids (ILs) and predict the properties of experimentally unrealized ion combinations. However, ILs suffer from a particularly large disparity in the time scales of atomistic…
We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtained from detailed atomistic molecular dynamics (MD)…
The design of Wireless Networked Control System (WNCS) requires addressing critical interactions between control and communication systems with minimal complexity and communication overhead while providing ultra-high reliability. This paper…
Causal representation learning (CRL) models aim to transform high-dimensional data into a latent space, enabling interventions to generate counterfactual samples or modify existing data based on the causal relationships among latent…
This paper is a study of reinforcement learning (RL) as an optimal-control strategy for control of nonlinear valves. It is evaluated against the PID (proportional-integral-derivative) strategy, using a unified framework. RL is an autonomous…
The data-based discovery of effective, coarse-grained (CG) models of high-dimensional dynamical systems presents a unique challenge in computational physics and particularly in the context of multiscale problems. The present paper offers a…
This paper studies the container lifting phase of a waste-container recycling task in urban environments, performed by a hydraulic loader crane equipped with an underactuated discharge unit, and proposes a residual reinforcement learning…
Generating structured, editable diagrams remains a significant challenge for contemporary large language models, despite their proficiency in general-purpose vector code generation. The primary difficulty lies in the structural fragility of…
Offline reinforcement learning (RL), also known as batch RL, offers the prospect of policy optimization from large pre-recorded datasets without online environment interaction. It addresses challenges with regard to the cost of data…
We introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical…
Molecular Representation Learning (MRL) has emerged as a powerful tool for drug and materials discovery in a variety of tasks such as virtual screening and inverse design. While there has been a surge of interest in advancing model-centric…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…
In this paper, we present a learning-based nonlinear model predictive controller (NMPC) using an original reinforcement learning (RL) method to learn the optimal weights of the NMPC scheme, for which two methods are proposed. Firstly, the…
Column generation (CG) is one of the most successful approaches for solving large-scale linear programming (LP) problems. Given an LP with a prohibitively large number of variables (i.e., columns), the idea of CG is to explicitly consider…
A reinforcement-learning-based non-uniform compressed sensing (NCS) framework for time-varying signals is introduced. The proposed scheme, referred to as RL-NCS, aims to boost the performance of signal recovery through an optimal and…
This study explores integrating reinforcement learning (RL) with idealised climate models to address key parameterisation challenges in climate science. Current climate models rely on complex mathematical parameterisations to represent…