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Due to the vast design space of molecules, generating molecules conditioned on a specific sub-structure relevant to a particular function or therapeutic target is a crucial task in computer-aided drug design. Existing works mainly focus on…

Biomolecules · Quantitative Biology 2024-12-24 Qi Zhengyang , Liu Zijing , Zhang Jiying , Cao He , Li Yu

Recently developed reduced-order modeling techniques aim to approximate nonlinear dynamical systems on low-dimensional manifolds learned from data. This is an effective approach for modeling dynamics in a post-transient regime where the…

Dynamical Systems · Mathematics 2023-09-27 Samuel E. Otto , Gregory R. Macchio , Clarence W. Rowley

Temporal networks are an important type of network whose topological structure changes over time. Compared with methods on static networks, temporal network embedding (TNE) methods are facing three challenges: 1) it cannot describe the…

Social and Information Networks · Computer Science 2022-12-14 Shanfan Zhang , Zhan Bu

This work presents a new sufficient condition for synthesizing nonlinear controllers that yield bounded closed-loop tracking error transients despite the presence of unmatched uncertainties that are concurrently being learned online. The…

Systems and Control · Electrical Eng. & Systems 2023-10-23 Samuel G. Gessow , Brett T. Lopez

In this article, we introduce a modular hybrid analysis and modeling (HAM) approach to account for hidden physics in reduced order modeling (ROM) of parameterized systems relevant to fluid dynamics. The hybrid ROM framework is based on…

Computational Physics · Physics 2020-04-22 Suraj Pawar , Shady E. Ahmed , Omer San , Adil Rasheed

This work introduces a new approach for accelerating the numerical analysis of time-domain partial differential equations (PDEs) governing complex physical systems. The methodology is based on a combination of a classical reduced-order…

Machine Learning · Computer Science 2024-06-06 Victor Matray , Faisal Amlani , Frédéric Feyel , David Néron

Classical methods in robot motion planning, such as sampling-based and optimization-based methods, often struggle with scalability towards higher-dimensional state spaces and complex environments. Diffusion models, known for their…

Robotics · Computer Science 2026-03-20 Edward Sandra , Lander Vanroye , Dries Dirckx , Ruben Cartuyvels , Jan Swevers , Wilm Decré

Mixture model-based clustering, usually applied to multidimensional data, has become a popular approach in many data analysis problems, both for its good statistical properties and for the simplicity of implementation of the…

Methodology · Statistics 2013-12-30 Allou Samé , Faicel Chamroukhi , Gérard Govaert , Patrice Aknin

Accurately tracking and predicting behaviors of surrounding objects are key prerequisites for intelligent systems such as autonomous vehicles to achieve safe and high-quality decision making and motion planning. However, there still remain…

Robotics · Computer Science 2020-03-31 Jiachen Li , Wei Zhan , Yeping Hu , Masayoshi Tomizuka

This paper addresses the offset-free tracking problem for nonlinear systems described by a class of recurrent neural networks (RNNs). To compensate for constant disturbances and guarantee offset-free tracking in the presence of model-plant…

Systems and Control · Electrical Eng. & Systems 2025-11-21 Daniele Ravasio , Bestem Abdulaziz , Marcello Farina , Andrea Ballarino

Model Predictive Control (MPC) is a powerful control strategy widely utilized in domains like energy management, building control, and autonomous systems. However, its effectiveness in real-world settings is challenged by the need to…

Systems and Control · Electrical Eng. & Systems 2025-09-08 Ruixiang Wu , Jiahao Ai , Tongxin Li

We propose a novel stochastic reduced-order model (SROM) for complex systems by combining clustering and classification strategies. Specifically, the distance and centroid of centroidal Voronoi tessellation (CVT) are redefined according to…

Numerical Analysis · Mathematics 2022-04-26 Meixin Xiong , Liuhong Chen , Ju Ming , Zhiwen Zhang

Achieving global optimality in nonlinear model predictive control (NMPC) is challenging due to the non-convex nature of the underlying optimization problem. Since commonly employed local optimization techniques depend on carefully chosen…

Systems and Control · Electrical Eng. & Systems 2025-06-19 Tzu-Yuan Huang , Armin Lederer , Nicolas Hoischen , Jan Brüdigam , Xuehua Xiao , Stefan Sosnowski , Sandra Hirche

In this work, we develop a novel data-driven model predictive controller using advanced techniques in the field of machine learning. The objective is to regulate control signals to adjust the desired internal room setpoint temperature,…

Systems and Control · Electrical Eng. & Systems 2021-01-20 Clement Etienam , Siying Shen , Edward J O'Dwyer , Joshua Sykes

Centralized Multiport Networked Dynamic (CMND) systems have emerged as a key architecture with applications in several complex network systems, such as multilateral telerobotics and multi-agent control. These systems consist of a hub…

Robotics · Computer Science 2026-01-26 Xingyuan Zhou , Peter Paik , S. Farokh Atashzar

A physics-informed convolutional neural network is proposed to simulate two phase flow in porous media with time-varying well controls. While most of PICNNs in existing literatures worked on parameter-to-state mapping, our proposed network…

Machine Learning · Computer Science 2024-10-24 Jungang Chen , Eduardo Gildin , John E. Killough

A promising approach to optimal control of nonlinear systems involves iteratively linearizing the system and solving an optimization problem at each time instant to determine the optimal control input. Since this approach relies on online…

Optimization and Control · Mathematics 2025-01-30 Anran Li , John P. Swensen , Mehdi Hosseinzadeh

This paper presents a projection-based reduced order modelling (ROM) framework for unsteady parametrized optimal control problems (OCP$_{(\mu)}$s) arising from cardiovascular (CV) applications. In real-life scenarios, accurately defining…

In this work we perform full-state LQR feedback control of fluid flows using non-intrusive data-driven reduced-order models. We propose a model reduction method called low-rank Dynamic Mode Decomposition (lrDMD) that solves for a…

Fluid Dynamics · Physics 2020-01-08 Palash Sashittal , Daniel J. Bodony

The CLEVR dataset of natural-looking questions about 3D-rendered scenes has recently received much attention from the research community. A number of models have been proposed for this task, many of which achieved very high accuracies of…

Artificial Intelligence · Computer Science 2020-10-20 Dzmitry Bahdanau , Harm de Vries , Timothy J. O'Donnell , Shikhar Murty , Philippe Beaudoin , Yoshua Bengio , Aaron Courville