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Accurate protein structure prediction from amino-acid sequences is critical to better understanding the protein function. Recent advances in this area largely benefit from more precise inter-residue distance and orientation predictions,…

Machine Learning · Computer Science 2021-06-01 Jiaxiang Wu , Shitong Luo , Tao Shen , Haidong Lan , Sheng Wang , Junzhou Huang

We propose a data-driven Model Predictive Control (MPC) framework that employs a transformer encoder to generate multi-step predictions. To handle the nonconvex attention mechanism, we derive difference of convex (DC) representations of the…

Optimization and Control · Mathematics 2026-05-15 Xingxiao Chen , Mark Cannon

Many practical applications of optimal control are subject to real-time computational constraints. When applying model predictive control (MPC) in these settings, respecting timing constraints is achieved by limiting the number of…

Optimization and Control · Mathematics 2024-12-16 Anusha Srikanthan , Aren Karapetyan , Vijay Kumar , Nikolai Matni

In this paper, we will deal with a Linear Quadratic Optimal Control problem with unknown dynamics. As a modeling assumption, we will suppose that the knowledge that an agent has on the current system is represented by a probability…

Optimization and Control · Mathematics 2022-01-13 Andrea Pesare , Michele Palladino , Maurizio Falcone

This paper investigates the control barrier function (CBF) based safety-critical control for continuous nonlinear control affine systems using the more efficient online algorithms through time-varying optimization. The idea lies in that…

Systems and Control · Electrical Eng. & Systems 2023-03-21 Shengbo Wang , Shiping Wen , Yin Yang , Yuting Cao , Kaibo Shi , Tingwen Huang

Modeling and simulating the protein folding process overall remains a grand challenge in computational biology. We systematically investigate end-to-end quantum algorithms for simulating various protein dynamics with effects, such as…

Quantum Physics · Physics 2025-04-17 Zhenning Liu , Xiantao Li , Chunhao Wang , Jin-Peng Liu

Conformal Predictors (CP) are wrappers around ML models, providing error guarantees under weak assumptions on the data distribution. They are suitable for a wide range of problems, from classification and regression to anomaly detection.…

Machine Learning · Computer Science 2021-10-06 Giovanni Cherubin , Konstantinos Chatzikokolakis , Martin Jaggi

This paper introduces HPIPM, a high-performance framework for quadratic programming (QP), designed to provide building blocks to efficiently and reliably solve model predictive control problems. HPIPM currently supports three QP types, and…

Optimization and Control · Mathematics 2020-06-09 Gianluca Frison , Moritz Diehl

We present a neural network approach for approximating the value function of high-dimensional stochastic control problems. Our training process simultaneously updates our value function estimate and identifies the part of the state space…

Optimization and Control · Mathematics 2024-05-08 Xingjian Li , Deepanshu Verma , Lars Ruthotto

Understanding the principles of protein folding is a cornerstone of computational biology, with implications for drug design, bioengineering, and the understanding of fundamental biological processes. Lattice protein folding models offer a…

Disordered Systems and Neural Networks · Physics 2025-08-08 Shoummo Ahsan Khandoker , Estelle M. Inack , Mohamed Hibat-Allah

In this article, a globally convergent sequential quadratic programming (SQP) method is developed for multi-objective optimization problems with inequality type constraints. A feasible descent direction is obtained using a linear…

Optimization and Control · Mathematics 2020-05-20 Md Abu Talhamainuddin Ansary , Geetanjali Panda

This article presents a method to automatically generate energy-optimal trajectories for systems with linear dynamics, linear constraints, and a quadratic cost functional (LQ systems). First, using recent advancements in optimal control, we…

Systems and Control · Electrical Eng. & Systems 2024-09-17 Logan E. Beaver

We consider the problem of predictive monitoring (PM), i.e., predicting at runtime the satisfaction of a desired property from the current system's state. Due to its relevance for runtime safety assurance and online control, PM methods need…

Systems and Control · Electrical Eng. & Systems 2023-04-07 Francesca Cairoli , Nicola Paoletti , Luca Bortolussi

Probabilistic model checking aims to prove whether a Markov decision process (MDP) satisfies a temporal logic specification. The underlying methods rely on an often unrealistic assumption that the MDP is precisely known. Consequently,…

Optimization and Control · Mathematics 2021-07-02 Murat Cubuktepe , Nils Jansen , Sebastian Junges , Joost-Pieter Katoen , Ufuk Topcu

Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…

Quantum Physics · Physics 2024-09-11 Hanna Linn , Isak Brundin , Laura García-Álvarez , Göran Johansson

The calibration of a PointQ arterial microsimulation model is formulated as a quadratic programming problem (QP) whose decision variables are link flows, demands at entry links, and turn movements at intersections, subject to linear…

Systems and Control · Computer Science 2015-07-30 Fatma Yildiz Tascikaraoglu , Jennie Lioris , Ajith Muralidharan , Martin Gouy , Pravin Varaiya

Many control policies used in various applications determine the input or action by solving a convex optimization problem that depends on the current state and some parameters. Common examples of such convex optimization control policies…

Optimization and Control · Mathematics 2019-12-23 Akshay Agrawal , Shane Barratt , Stephen Boyd , Bartolomeo Stellato

Quantum machine learning seeks to leverage quantum computers to improve upon classical machine learning algorithms. Currently, robust uncertainty quantification methods remain underdeveloped in the quantum domain, despite the critical need…

Machine Learning · Computer Science 2026-05-18 Douglas Spencer , Samual Nicholls , Michele Caprio

Kinodynamic Motion Planning (KMP) is to find a robot motion subject to concurrent kinematics and dynamics constraints. To date, quite a few methods solve KMP problems and those that exist struggle to find near-optimal solutions and exhibit…

Robotics · Computer Science 2021-01-19 Linjun Li , Yinglong Miao , Ahmed H. Qureshi , Michael C. Yip

Accurate prediction of mRNA secondary structure is critical for understanding gene expression, translation efficiency, and advancing mRNA-based therapeutics. However, the combinatorial complexity of possible foldings, especially in long…