Related papers: Eigen Space of Mesh Distortion Energy Hessian

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…

Drawing inspiration from the domain of image super-resolution, we view the electron density as a 3D grayscale image and use a convolutional residual network to transform a crude and trivially generated guess of the molecular density into an…

The last decade has shown a tremendous success in solving various computer vision problems with the help of deep learning techniques. Lately, many works have demonstrated that learning-based approaches with suitable network architectures…

This paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a…

Random projections or sketching are widely used in many algorithmic and learning contexts. Here we study the performance of iterative Hessian sketch for least-squares problems. By leveraging and extending recent results from random matrix…

Construction of optimal deformations is one of the long standing problems of computational mathematics. We consider the problem of computing quasi-isometric deformations with minimal possible quasi-isometry constant (global estimate for…

In this paper, we propose a distributed Newton method for consensus optimization. Our approach outperforms state-of-the-art methods, including ADMM. The key idea is to exploit the sparsity of the dual Hessian and recast the computation of…

This article explores how to effectively incorporate curvature information generated using SIMD-parallel forward-mode Algorithmic Differentiation (AD) into unconstrained Quasi-Newton (QN) minimization of a smooth objective function, $f$.…

We present SNOWS, a one-shot post-training pruning framework aimed at reducing the cost of vision network inference without retraining. Current leading one-shot pruning methods minimize layer-wise least squares reconstruction error which…

We consider minimizing finite-sum and expectation objective functions via Hessian-averaging based subsampled Newton methods. These methods allow for gradient inexactness and have fixed per-iteration Hessian approximation costs. The recent…

A central problem of materials science is to determine whether a hypothetical material is stable without being synthesized, which is mathematically equivalent to a global optimization problem on a highly non-linear and multi-modal potential…

This is an overview paper written in style of research proposal. In recent years we introduced a general framework for large-scale unconstrained optimization -- Sequential Subspace Optimization (SESOP) and demonstrated its usefulness for…

Numerical methods for solving the ideal magnetohydrodynamic (MHD) equations in more than one space dimension must either confront the challenge of controlling errors in the discrete divergence of the magnetic field, or else be faced with…

In this paper, we consider the problem of improving 2D triangle meshes tessellating planar regions. We propose a new variational principle for improving 2D triangle meshes where the energy functional is a convex function over the angle…

There is a great need in several areas of astrophysics and space-physics to carry out high order of accuracy, divergence-free MHD simulations on spherical meshes. This requires us to pay careful attention to the interplay between mesh…

Inspired by the Thomson problem in physics where the distribution of multiple propelling electrons on a unit sphere can be modeled via minimizing some potential energy, hyperspherical energy minimization has demonstrated its potential in…

Second-order Newton-type algorithms that leverage the exact Hessian or its approximation are central to solve nonlinear optimization problems. However, their applications in solving large-scale nonconvex problems are hindered by three…

A novel methodology to efficiently approximate the Hessian for numerical shape optimization is considered. The method enhances operator symbol approximations by including body fitted coordinates and spatially changing symbols in a semi…

While much progress has been made in capturing high-quality facial performances using motion capture markers and shape-from-shading, high-end systems typically also rely on rotoscope curves hand-drawn on the image. These curves are…

The Hessian-vector product has been utilized to find a second-order stationary solution with strong complexity guarantee (e.g., almost linear time complexity in the problem's dimensionality). In this paper, we propose to further reduce the…