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The assumption of linear response of protein molecules to thermal noise or structural perturbations, such as ligand binding or detachment, is broadly used in the studies of protein dynamics. Conformational motions in proteins are…

Biomolecules · Quantitative Biology 2010-06-21 Yuichi Togashi , Toshio Yanagida , Alexander S. Mikhailov

This paper presents a strictly convex chance-constrained stochastic control framework that accounts for uncertainty in control specifications such as reference trajectories and operational constraints. By jointly optimizing control inputs…

Systems and Control · Electrical Eng. & Systems 2026-01-27 Teruki Kato , Ryotaro Shima , Kenji Kashima

Topology optimization (TO) in two dimensions often presents a trade-off between structural performance and manufacturability, with unpenalized (variable-thickness) methods yielding superior but complex designs, and penalized (SIMP) methods…

Computational Engineering, Finance, and Science · Computer Science 2025-07-28 Gabriel Stankiewicz , Chaitanya Dev , Paul Steinmann

This paper introduces a framework for learning a minimum-norm stabilizing controller for a system with unknown dynamics using model-free policy optimization methods. The approach begins by first designing a Control Lyapunov Function (CLF)…

Optimization and Control · Mathematics 2020-10-02 Tyler Westenbroek , Fernando Castaneda , Ayush Agrawal , S. Shankar Sastry , Koushil Sreenath

The complex nature of real-world problems calls for heterogeneity in both machine learning (ML) models and hardware systems. The heterogeneity in ML models comes from multi-sensor perceiving and multi-task learning, i.e., multi-modality…

Machine Learning · Computer Science 2022-05-02 Xinyi Zhang , Cong Hao , Peipei Zhou , Alex Jones , Jingtong Hu

Myosin II is the muscle molecular motor that works in two bipolar arrays in each thick filament of the striated (skeletal and cardiac) muscle, converting the chemical energy into steady force and shortening by cyclic ATP--driven…

In this paper, we propose a new robust analysis tool motivated by large-scale systems. The H infinity norm of a system measures its robustness by quantifying the worst-case behavior of a system perturbed by a unit-energy disturbance.…

Systems and Control · Computer Science 2015-07-10 Seungil You , Nikolai Matni

We develop R2N, a modified quasi-Newton method for minimizing the sum of a $\mathcal{C}^1$ function $f$ and a lower semi-continuous prox-bounded $h$. Both $f$ and $h$ may be nonconvex. At each iteration, our method computes a step by…

Optimization and Control · Mathematics 2025-12-01 Youssef Diouane , Mohamed Laghdaf Habiboullah , Dominique Orban

In this article, we propose a finite volume discretization of a one dimensional nonlinear reaction kinetic model proposed in [Neumann, Schmeiser, Kint. Rel. Mod. 2016], which describes a 2-species recombination-generation process.…

Numerical Analysis · Mathematics 2024-03-08 Marianne Bessemoulin-Chatard , Tino Laidin , Thomas Rey

In modern engineering scenarios, there is often a strict upper bound on the number of algorithm iterations that can be performed within a given time limit. This raises the question of optimal algorithmic configuration for a fixed and finite…

Optimization and Control · Mathematics 2024-12-31 Yushun Zhang , Dmitry Rybin , Zhi-Quan Luo

An eigenvalue based framework is developed for the H-infinity norm analysis and its norm minimization of coupled systems with time-delays, which are naturally described by delay differential algebraic equations (DDAEs). For these equations…

Systems and Control · Electrical Eng. & Systems 2020-03-30 Suat Gumussoy , Wim Michiels

Here we generalize our previous model of molecular motors trafficking subdiffusing cargos in viscoelastic cytosol by (i) including mechanochemical coupling between cyclic conformational fluctuations of the motor protein driven by the…

Biological Physics · Physics 2015-05-01 Igor Goychuk

A regularization algorithm using inexact function values and inexact derivatives is proposed and its evaluation complexity analyzed. This algorithm is applicable to unconstrained problems and to problems with inexpensive constraints (that…

Optimization and Control · Mathematics 2019-04-22 S. Bellavia , G. Gurioli , B. Morini , Ph. L. Toint

Empirical force fields employed in molecular dynamics simulations of complex systems can be optimised to reproduce experimentally determined structural and thermodynamic properties. In contrast, experimental knowledge about the rates of…

Statistical Mechanics · Physics 2022-07-12 P. G. Bolhuis , Z. F. Brotzakis , B. G. Keller

A method of a fusion of fuzzy inference and policy gradient reinforcement learning has been proposed that directly learns, as maximizes the expected value of the reward per episode, parameters in a policy function represented by fuzzy rules…

Artificial Intelligence · Computer Science 2020-09-07 Seiji Ishihara , Harukazu Igarashi

In this paper we present a fully-coupled, two-scale homogenization method for dynamic loading in the spirit of FE$^2$ methods. The framework considers the balance of linear momentum including inertia at the microscale to capture possible…

Computational Engineering, Finance, and Science · Computer Science 2020-10-20 Erik Tamsen , Daniel Balzani

The optical forces in optical tweezers can be robustly modeled over a broad range of parameters using generalsed Lorenz-Mie theory. We describe the procedure, and show how the combination of experimental measurement of properties of the…

Single-molecule detection enables direct observation of individual biomolecular events, providing mechanistic insights into biological processes and offering a powerful tool for disease diagnostics. However, the fundamental scale mismatch…

Optics · Physics 2025-10-14 Guifeng Li , Chaoyang Gong

The relaxation in the calculus of variation motivates the numerical analysis of a class of degenerate convex minimization problems with non-strictly convex energy densities with some convexity control and two-sided $p$-growth. The…

Numerical Analysis · Mathematics 2024-07-03 C. Carstensen , N. T. Tran

We consider a vibrational system control problem over a finite time horizon. The performance measure of the system is taken to be $p$-mixed $H_2$ norm which generalizes the standard $H_2$ norm. We present an algorithm for efficient…

Optimization and Control · Mathematics 2023-12-27 Ivica Nakić , Marinela Pilj Vidaković , Zoran Tomljanović