相关论文: Accurate gradient computations for shape optimizat…

New finite element methods are proposed for elliptic interface problems in one and two dimensions. The main motivation is not only to get an accurate solution but also an accurate first order derivative at the interface (from each side).…

Metabolic flux analysis using 13C labeled substrates is an important tool for metabolic engineering. Although it has now been evolving for more than ten years, metabolic flux analysis has still not reached the limits of its application.…

In this paper, new unfitted mixed finite elements are presented for elliptic interface problems with jump coefficients. Our model is based on a fictitious domain formulation with distributed Lagrange multiplier. The relevance of our…

We consider a fictitious domain formulation for fluid-structure interaction problems based on a distributed Lagrange multiplier to couple the fluid and solid behaviors. How to deal with the coupling term is crucial since the construction of…

Accurate derivatives are important for efficiently locally traversing and converging in quantum optimization landscapes. By deriving analytically exact control derivatives (gradient and Hessian) for unitary control tasks, we show here that…

Metasurfaces are an emerging technology that may supplant many of the conventional optics found in imaging devices, displays, and precision scientific instruments. Here, we develop a method for designing optical systems composed of multiple…

We develop the concept and the calculus of anti-self dual (ASD) Lagrangians which seems inherent to many questions in mathematical physics, geometry, and differential equations. They are natural extensions of gradients of convex functions…

Calibration of unknown model parameters is a common task in many ocean model applications. We present an adjoint-based optimization of an unstructured mesh shallow water model for the Baltic Sea. Spatially varying bottom friction parameter…

Multibody dynamics simulations have become widely used tools for vehicle systems analysis and design. As this approach evolves, it becomes able to provide additional information for various types of analyses. One very important direction is…

We propose a flexible gradient tracking approach with adjustable computation and communication steps for solving distributed stochastic optimization problem over networks. The proposed method allows each node to perform multiple local…

Variational problems under uniform quasiconvex constraints on the gradient are studied. In particular, existence of solutions to such problems is proved as well as existence of lagrange multipliers associated to the uniform constraint. They…

In the simulation of biological molecules, it is customary to impose constraints on the fastest degrees of freedom to increase the time step. The evaluation of the involved constraint forces must be performed in an efficient manner, for…

The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…

The purpose of this paper is to introduce two new classes of accelerated distributed proximal conjugate gradient algorithms for multi-agent constrained optimization problems; given as minimization of a function decomposed as a sum of M…

Differentiable physics is a powerful tool in computer vision and robotics for scene understanding and reasoning about interactions. Existing approaches have frequently been limited to objects with simple shape or shapes that are known in…

The development of inverse design, where computational optimization techniques are used to design devices based on certain specifications, has led to the discovery of many compact, non-intuitive structures with superior performance. Among…

This document, as the title stated, is meant to provide a vectorized implementation of adjoint dynamics calculation for Graph Convolutional Neural Ordinary Differential Equations (GCDE). The adjoint sensitivity method is the gradient…

Analytic gradient routines are a desirable feature for quantum mechanical methods, allowing for efficient determination of equilibrium and transition state structures and several other molecular properties. In this work, we present…

Surface-subsurface flow models for hydrological applications solve a coupled multiphysics problem. This usually consists of some form of the Richards and shallow water equations. A typical setup couples these two nonlinear partial…

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…