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The performance of time-independent, orbital optimized calculations of excited states is assessed with respect to charge transfer excitations in organic molecules in comparison to the linear-response time-dependent density functional theory…

Chemical Physics · Physics 2024-05-22 Elli Selenius , Alec Elías Sigurdarson , Yorick L. A. Schmerwitz , Gianluca Levi

Optimal trajectories that minimize a user-defined cost function in dynamic systems require the solution of a two-point boundary value problem. The optimization process yields an optimal control sequence that depends on the initial…

Systems and Control · Electrical Eng. & Systems 2025-04-10 August Phelps , Juan Augusto Paredes Salazar , Ankit Goel

We propose a strategy for optimizing a sensor trajectory in order to estimate the time dependence of a localized scalar source in turbulent channel flow. The approach leverages the view of the adjoint scalar field as the sensitivity of…

Computational Engineering, Finance, and Science · Computer Science 2022-02-21 Constantinos F. Panagiotou , Davide Cerizza , Tamer A. Zaki , Yosuke Hasegawa

Sensitivity analysis with forced optimally time dependent (f-OTD) modes is introduced and its application for skeletal model reduction is demonstrated. f-OTD expands the sensitivity coefficient matrix into a lowdimensional, time dependent,…

Chemical Physics · Physics 2021-03-17 A. G. Nouri , H. Babaee , P. Givi , H. K. Chelliah , D. Livescu

A crucial problem in reinforcement learning is learning the optimal policy. We study this in tabular infinite-horizon discounted Markov decision processes under the online setting. The existing algorithms either fail to achieve regret…

Machine Learning · Computer Science 2023-12-13 Xiang Ji , Gen Li

An MPC controller uses a model of the dynamical system to plan an optimal control strategy for a finite horizon, which makes its performance intrinsically tied to the quality of the model. When faults occur, the compromised model will…

Systems and Control · Electrical Eng. & Systems 2026-03-31 David Laranjinho , Daniel Silvestre

In this work, we present Transformer-based Powered Descent Guidance (T-PDG), a scalable algorithm for reducing the computational complexity of the direct optimization formulation of the spacecraft powered descent guidance problem. T-PDG…

Optimization and Control · Mathematics 2023-12-12 Julia Briden , Trey Gurga , Breanna Johnson , Abhishek Cauligi , Richard Linares

In this paper, we investigate a decentralized control problem with nested subsystems, which is a general model for one-directional communication amongst many subsystems. The noises in our dynamics are modelled as uncertain variables which…

Optimization and Control · Mathematics 2022-06-14 Aditya Dave , Nishanth Venkatesh , Andreas A. Malikopoulos

Diffusion models exhibit excellent sample quality, but existing guidance methods often require additional model training or are limited to specific tasks. We revisit guidance in diffusion models from the perspective of variational inference…

Machine Learning · Computer Science 2025-05-27 Kushagra Pandey , Farrin Marouf Sofian , Felix Draxler , Theofanis Karaletsos , Stephan Mandt

Imitation learning is an efficient method for teaching robots a variety of tasks. Diffusion Policy, which uses a conditional denoising diffusion process to generate actions, has demonstrated superior performance, particularly in learning…

Robotics · Computer Science 2025-08-14 Zhuoqun Chen , Xiu Yuan , Tongzhou Mu , Hao Su

Masked Diffusion Models (MDMs) offer flexible, non-autoregressive generation, but this freedom introduces a challenge: final output quality is highly sensitive to the decoding order. We are the first to formalize this issue, attributing the…

Computation and Language · Computer Science 2025-12-25 Ziyu Chen , Xinbei Jiang , Peng Sun , Tao Lin

The problem of continuous inverse optimal control (over finite time horizon) is to learn the unknown cost function over the sequence of continuous control variables from expert demonstrations. In this article, we study this fundamental…

Machine Learning · Computer Science 2022-04-20 Yifei Xu , Jianwen Xie , Tianyang Zhao , Chris Baker , Yibiao Zhao , Ying Nian Wu

This paper introduces a novel approach to the optimal control of linear discrete-time systems subject to bounded disturbances. Our approach is based on the newly established duality between ellipsoidal approximations of reachable and hardly…

Systems and Control · Electrical Eng. & Systems 2024-09-20 Egor Dogadin , Alexey Peregudin , Dmitriy Shirokih

Reinforcement learning (RL) is currently one of the most prominent methods for optimizing dynamical systems, with breakthrough results across various fields. The framework is based on the concept of a Markov decision process (MDP), leading…

Optimization and Control · Mathematics 2025-11-17 Rene Carmona , Mathieu Lauriere

This article describes an approach for parametrizing input and state trajectories in model predictive control. The parametrization is designed to be invariant to time shifts, which enables warm-starting the successive optimization problems…

Systems and Control · Computer Science 2019-03-20 Michael Muehlebach , Raffaello D'Andrea

Trajectory optimization is a fundamental stochastic optimal control problem. This paper deals with a trajectory optimization approach for dynamical systems subject to measurement noise that can be fitted into linear time-varying stochastic…

Systems and Control · Electrical Eng. & Systems 2021-08-24 Prakash Mallick , Zhiyong Chen

In this paper, we investigate the optimal output tracking problem for linear discrete-time systems with unknown dynamics using reinforcement learning and robust output regulation theory. This output tracking problem only allows to utilize…

Dynamical Systems · Mathematics 2021-01-22 Ci Chen , Lihua Xie , Yi Jiang , Kan Xie , Shengli Xie

Continuous trajectory tracking control of quadrotors is complicated when considering noise from the environment. Due to the difficulty in modeling the environmental dynamics, tracking methodologies based on conventional control theory, such…

Robotics · Computer Science 2023-02-14 Boyuan Deng , Jian Sun , Zhuo Li , Gang Wang

Future Mars missions will require advanced guidance, navigation, and control algorithms for the powered descent phase to target specific surface locations and achieve pinpoint accuracy (landing error ellipse $<$ 5 m radius). The latter…

Systems and Control · Computer Science 2018-10-23 Brian Gaudet , Richard Linares , Roberto Furfaro

Discrete-time Control Barrier Functions (DTCBFs) form a powerful control theoretic tool to guarantee safety and synthesize safe controllers for discrete-time dynamical systems. In this paper, we provide an optimization-based algorithm,…

Optimization and Control · Mathematics 2025-09-24 Erfan Shakhesi , W. P. M. H. Heemels , Alexander Katriniok