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Calculating free energy differences is a topic of substantial interest and has many applications including molecular docking and hydration, solvation, and binding free energies which is used in computational drug discovery. However, in…

Chemical Physics · Physics 2013-10-16 Asaf Farhi

We revisit the Markov Entropy Decomposition, a classical convex relaxation algorithm introduced by Poulin and Hastings to approximate the free energy in quantum spin lattices. We identify a sufficient condition for its convergence, namely…

We consider continuous-state and continuous-time control problems where the admissible trajectories of the system are constrained to remain on a union of half-planes which share a common straight line. This set will be named a junction. We…

Optimization and Control · Mathematics 2014-12-10 Salomé Oudet

A method is presented to compute approximate solutions for eigenequations in quantum mechanics with an arbitrary kinetic part. In some cases, the approximate eigenvalues can be analytically determined and they can be lower or upper bounds.…

Quantum Physics · Physics 2012-10-01 Claude Semay

A convex envelope for the problem of finding the best approximation to a given matrix with a prescribed rank is constructed. This convex envelope allows the usage of traditional optimization techniques when additional constraints are added…

Functional Analysis · Mathematics 2016-08-30 Fredrik Andersson , Marcus Carlsson , Carl Olsson

This paper presents Hamilton-Jacobi (HJ) formulations for two classes of two-player zero-sum games: one with a maximum cost value over time, and one with a minimum cost value over time. In the zero-sum game setting, player A minimizes the…

Optimization and Control · Mathematics 2021-06-30 Donggun Lee , Claire J. Tomlin

We discuss an extension of the Hamilton-Jacobi theory to nonholonomic mechanics with a particular interest in its application to exactly integrating the equations of motion. We give an intrinsic proof of a nonholonomic analogue of the…

Mathematical Physics · Physics 2011-08-15 Tomoki Ohsawa , Anthony M. Bloch

In this paper, we study an adaptive finite element method for a class of a nonlinear eigenvalue problems that may be of nonconvex energy functional and consider its applications to quantum chemistry. We prove the convergence of adaptive…

Numerical Analysis · Mathematics 2010-01-15 H. Chen , X. Gong , L. He , A. Zhou

In this paper, we study first-order methods on a large variety of low-rank matrix optimization problems, whose solutions only live in a low dimensional eigenspace. Traditional first-order methods depend on the eigenvalue decomposition at…

Optimization and Control · Mathematics 2019-04-25 Yongfeng Li , Haoyang Liu , Zaiwen Wen , Yaxiang Yuan

Experiments show that macroscopic systems in a stationary nonequilibrium state exhibit long range correlations of the local thermodynamic variables. In previous papers we proposed a Hamilton-Jacobi equation for the nonequilibrium free…

Statistical Mechanics · Physics 2015-12-18 L. Bertini , A. De Sole , D. Gabrielli , G. Jona-Lasinio , C. Landim

We study the well-posedness of Hamilton-Jacobi-Bellman equations on subsets of $\mathbb{R}^d$ in a context without boundary conditions. The Hamiltonian is given as the supremum over two parts: an internal Hamiltonian depending on an…

Analysis of PDEs · Mathematics 2021-04-05 Richard C. Kraaij , Mikola C. Schlottke

We propose a computational framework for computing low-rank approximations to the ensemble of solutions of a parametrized system of the form $A(\xi)x(\xi)+g(x(\xi))=b(\xi)$ for multiple parameter values. The central idea is to reinterpret…

Numerical Analysis · Mathematics 2026-04-09 Marco Sutti , Tommaso Vanzan

An exact invariant is derived for $n$-degree-of-freedom Hamiltonian systems with general time-dependent potentials. The invariant is worked out in two equivalent ways. In the first approach, we define a special {\it Ansatz\/} for the…

Classical Physics · Physics 2023-03-23 Jürgen Struckmeier , Claus Riedel

We study PDE of the form $\max\{F(D^2u,x)-f(x), H(Du)\}=0$ where $F$ is uniformly elliptic and convex in its first argument, $H$ is convex, $f$ is a given function and $u$ is the unknown. These equations are derived from dynamic programming…

Analysis of PDEs · Mathematics 2015-02-06 Ryan Hynd , Henok Mawi

The rarely used Hamilton-Jacobi equation has been utilized as an elegant way to find the trajectories of mechanical systems and to derive symplectic maps. Further, the exact solution in kick approximation of Hamilton's equations of motion…

Accelerator Physics · Physics 2026-01-21 Stephan I. Tzenov

The Jacobian matrix is the core part of power flow analysis, which is the basis for power system planning and operations. This paper estimates the Jacobian matrix in high dimensional space. Firstly, theoretical analysis and model-based…

Systems and Control · Computer Science 2019-02-19 Xing He , Lei Chu , Robert Qiu , Qian Ai , Wentao Huang

We present a novel method to approximate optimal feedback laws for nonlinear optimal control based on low-rank tensor train (TT) decompositions. The approach is based on the Dirac-Frenkel variational principle with the modification that the…

Optimization and Control · Mathematics 2021-11-30 Martin Eigel , Reinhold Schneider , David Sommer

It is shown that given an arbitrary canonical transformation and an arbitrary Hamiltonian, there is a naturally defined mapping that sends any solution of the Hamilton-Jacobi (HJ) equation into a solution of the HJ equation corresponding to…

We discuss a class of time-dependent Hamilton-Jacobi equations, where an unknown function of time is intended to keep the maximum of the solution to the constant value 0. Our main result is that the full problem has a unique viscosity…

Analysis of PDEs · Mathematics 2015-05-25 Sepideh Mirrahimi , Jean-Michel Roquejoffre

We propose a novel, mesh-free, and gradient-free fixed-point approach for computing viscosity solutions of high-dimensional Hamilton-Jacobi (HJ) equations. By leveraging the Hopf-Lax formula, our approach iteratively solves the associated…

Numerical Analysis · Mathematics 2026-02-06 Yesom Park , Stanley Osher