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Nonlinear model predictive control~(NMPC) generally requires the solution of a non-convex optimization problem at each sampling instant under strict timing constraints, based on a set of differential equations that can often be stiff and/or…

Optimization and Control · Mathematics 2019-03-22 Pedro Hespanhol , Rien Quirynen

Protein folding is a central challenge in computational biology, with important applications in molecular biology, drug discovery and catalyst design. As a hard combinatorial optimisation problem, it has been studied as a potential target…

Nonlinear Model Predictive Control (NMPC) is a general and flexible control approach, used in many industrial contexts, and is based on the online solution of a nonlinear optimization problem. This operation requires in general a high…

Systems and Control · Electrical Eng. & Systems 2024-11-06 Carlo Novara , Mattia Boggio , Deborah Volpe

We consider the optimal control of quantum systems interacting non-linearly with an electromagnetic field. We propose new monotonically convergent algorithms to solve the optimal equations. The monotonic behavior of the algorithm is ensured…

Quantum Physics · Physics 2015-05-13 M. Lapert , R. Tehini , G. Turinici , D. Sugny

Quantum heuristics have shown promise in solving various optimization problems, including lattice protein folding. Equally relevant is the inverse problem, protein design, where one seeks sequences that fold to a given target structure. The…

Conformal Prediction (CP) is a principled framework for quantifying uncertainty in blackbox learning models, by constructing prediction sets with finite-sample coverage guarantees. Traditional approaches rely on scalar nonconformity scores,…

Machine Learning · Statistics 2025-05-07 Gauthier Thurin , Kimia Nadjahi , Claire Boyer

Quadratic programming (QP) is a common and important constrained optimization problem. Here, we derive a surprising duality between constrained optimization with inequality constraints -- of which QP is a special case -- and consumer…

Statistical Mechanics · Physics 2019-05-22 Pankaj Mehta , Wenping Cui , Ching-Hao Wang , Robert Marsland

We study unconstrained and constrained linear quadratic problems and investigate the suboptimality of the model predictive control (MPC) method applied to such problems. Considering MPC as an approximate scheme for solving the related fixed…

Optimization and Control · Mathematics 2023-06-06 Yuchao Li , Aren Karapetyan , John Lygeros , Karl H. Johansson , Jonas Mårtensson

We study the application of a tailored quasi-Monte Carlo (QMC) method to a class of optimal control problems subject to parabolic partial differential equation (PDE) constraints under uncertainty: the state in our setting is the solution of…

Numerical Analysis · Mathematics 2024-03-28 Philipp A. Guth , Vesa Kaarnioja , Frances Y. Kuo , Claudia Schillings , Ian H. Sloan

The hierarchical quadratic programming (HQP) is commonly applied to consider strict hierarchies of multi-tasks and robot's physical inequality constraints during whole-body compliance. However, for the one-step HQP, the solution can…

Robotics · Computer Science 2021-09-17 Xiaozhu Ju , Jiajun Wang , Gang Han , Mingguo Zhao

This paper studies the kinematic tracking control problem for aerial manipulators. Existing kinematic tracking control methods, which typically employ proportional-derivative feedback or tracking-error-based feedback strategies, may fail to…

Robotics · Computer Science 2026-01-21 Huazi Cao , Jiahao Shen , Zhengzhen Li , Qinquan Ren , Shiyu Zhao

While Approximate Dynamic Programming has successfully been used in many applications involving discrete states and inputs such as playing the games of Tetris or chess, it has not been used in many continuous state and input space…

Systems and Control · Computer Science 2019-02-19 Angel Romero , Paul N. Beuchat , Yvonne R. Stürz , Roy S. Smith , John Lygeros

Molecular docking (MD) is a crucial task in drug design, which predicts the position, orientation, and conformation of the ligand when bound to a target protein. It can be interpreted as a combinatorial optimization problem, where quantum…

Chemical Physics · Physics 2024-04-15 Yunting Li , Xiaopeng Cui , Zhaoping Xiong , Bowen Liu , Bi-Ying Wang , Runqiu Shu , Nan Qiao , Man-Hong Yung

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as…

The paper investigates a novel approach, based on Constraint Logic Programming (CLP), to predict the 3D conformation of a protein via fragments assembly. The fragments are extracted by a preprocessor-also developed for this work- from a…

Artificial Intelligence · Computer Science 2010-08-02 Alessandro Dal Palu' , Agostino Dovier , Federico Fogolari , Enrico Pontelli

Uncertainty quantification is essential for deploying machine learning models in high-stakes domains such as scientific discovery and healthcare. Conformal Prediction (CP) provides finite-sample coverage guarantees under exchangeability, an…

Machine Learning · Computer Science 2026-03-30 Siddhartha Laghuvarapu , Rohan Deb , Jimeng Sun

We design an model predictive control (MPC) approach for planning and control of non-holonomic mobile robots. Linearizing the system dynamics around the pre-computed reference trajectory gives a time-varying LQ MPC problem. We analytically…

Robotics · Computer Science 2022-10-12 Xinjie Liu , Vassil Atanassov

The main challenge for adaptive regulation of linear-quadratic systems is the trade-off between identification and control. An adaptive policy needs to address both the estimation of unknown dynamics parameters (exploration), as well as the…

Systems and Control · Computer Science 2019-04-01 Mohamad Kazem Shirani Faradonbeh , Ambuj Tewari , George Michailidis

The compatibility constant plays an important role in evaluating the prediction error of the lasso in high-dimensional settings. However, the computation of the compatibility constant is generally difficult because it is a complicated…

Computation · Statistics 2026-03-30 Kei Hirose

We discuss the opportunities for parallelization in the recently proposed QPALM-OCP algorithm, a solver tailored to quadratic programs arising in optimal control. A significant part of the computational work can be carried out independently…

Optimization and Control · Mathematics 2026-03-13 Pieter Pas , Kristoffer Fink Løwenstein , Daniele Bernardini , Panagiotis Patrinos