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Kinetic energy (KE) approximations are key elements in orbital-free density functional theory. To date, the use of non-local functionals, possibly employing system dependent parameters, has been considered mandatory in order to obtain…

Materials Science · Physics 2018-07-25 L. A. Constantin , E. Fabiano , F. Della Sala

The gradient expansion of the kinetic energy functional, when applied for atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the…

Quantum Physics · Physics 2015-08-28 A. Sergeev , R. Jovanovic , S. Kais , F. H. Alharbi

We present a novel algorithm that allows us to gain detailed insight into the effects of sparsity in linear and nonlinear optimization, which is of great importance in many scientific areas such as image and signal processing, medical…

Optimization and Control · Mathematics 2021-09-23 Katharina Bieker , Bennet Gebken , Sebastian Peitz

Despite a large number of nonlocal kinetic energy density functionals (KEDFs) available for large-scale calculations, most of those nonlocal KEDFs designed for the extended systems cannot be directly applied to isolated systems. In this…

Materials Science · Physics 2020-05-29 Qiang Xu , Jian Lv , Yanchao Wang , Yanming Ma

Sparse Gaussian graphical models characterize sparse dependence relationships between random variables in a network. To estimate multiple related Gaussian graphical models on the same set of variables, we formulate a hierarchical model,…

Methodology · Statistics 2014-06-10 Yuancheng Zhu , Rina Foygel Barber

Many penalized maximum likelihood estimators correspond to posterior mode estimators under specific prior distributions. Appropriateness of a particular class of penalty functions can therefore be interpreted as the appropriateness of a…

Methodology · Statistics 2018-09-11 Maryclare Griffin , Peter D. Hoff

For data with high-dimensional covariates but small to moderate sample sizes, the analysis of single datasets often generates unsatisfactory results. The integrative analysis of multiple independent datasets provides an effective way of…

Methodology · Statistics 2015-01-19 Yuan Huang , Qingzhao Zhang , Sanguo Zhang , Jian Huang , Shuangge Ma

Parametric images provide insight into the spatial distribution of physiological parameters, but they are often extremely noisy, due to low SNR of tomographic data. Direct estimation from projections allows accurate noise modeling,…

The performance of trained neural networks is robust to harsh levels of pruning. Coupled with the ever-growing size of deep learning models, this observation has motivated extensive research on learning sparse models. In this work, we focus…

Machine Learning · Computer Science 2022-11-29 Jose Gallego-Posada , Juan Ramirez , Akram Erraqabi , Yoshua Bengio , Simon Lacoste-Julien

We consider a class of constrained optimization problems with a possibly nonconvex non-Lipschitz objective and a convex feasible set being the intersection of a polyhedron and a possibly degenerate ellipsoid. Such problems have a wide range…

Optimization and Control · Mathematics 2016-04-08 Xiaojun Chen , Zhaosong Lu , Ting Kei Pong

Modern statistical learning algorithms are capable of amazing flexibility, but struggle with interpretability. One possible solution is sparsity: making inference such that many of the parameters are estimated as being identically 0, which…

Methodology · Statistics 2023-05-15 Nathan Wycoff , Ali Arab , Katharine M. Donato , Lisa O. Singh

This paper develops a convex approach for sparse one-dimensional deconvolution that improves upon L1-norm regularization, the standard convex approach. We propose a sparsity-inducing non-separable non-convex bivariate penalty function for…

Optimization and Control · Mathematics 2016-04-19 Ivan W. Selesnick , Iker Bayram

We study sparse approximation by greedy algorithms. Our contribution is two-fold. First, we prove exact recovery with high probability of random $K$-sparse signals within $\lceil K(1+\e)\rceil$ iterations of the Orthogonal Matching Pursuit…

Numerical Analysis · Mathematics 2013-04-03 Eugene Livshitz , Vladimir Temlyakov

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…

Numerical Analysis · Mathematics 2020-02-26 Kailai Xu , Eric Darve

We derive a novel norm that corresponds to the tightest convex relaxation of sparsity combined with an $\ell_2$ penalty. We show that this new {\em $k$-support norm} provides a tighter relaxation than the elastic net and is thus a good…

Machine Learning · Statistics 2012-06-13 Andreas Argyriou , Rina Foygel , Nathan Srebro

In this paper we theoretically study exact recovery of sparse vectors from compressed measurements by minimizing a general nonconvex function that can be decomposed into the sum of single variable functions belonging to a class of smooth…

Information Theory · Computer Science 2020-10-21 Samrat Mukhopadhyay

Solutions to the linear complementarity problem (LCP) are naturally sparse in many applications such as bimatrix games and portfolio section problems. Despite that it gives rise to the hardness, sparsity makes optimization faster and…

Optimization and Control · Mathematics 2021-11-17 Shenglong Zhou , Meijuan Shang , Lili Pan , Mu Li

Penalty functions or regularization terms that promote structured solutions to optimization problems are of great interest in many fields. Proposed in this work is a nonconvex structured sparsity penalty that promotes one-sparsity within…

Optimization and Control · Mathematics 2020-06-19 Charles Saunders , Vivek K Goyal

The paper concerns optimization problems with general equality and inequality constraints and with constraints expressed by a convex set. In order to solve these problems, the general constraints are treated by an exact penalty functions…

Optimization and Control · Mathematics 2026-05-26 Bogdan K. Jastrzębski , Radosław Pytlak

Deep reinforcement learning in partially observable environments is a difficult task in itself, and can be further complicated by a sparse reward signal. Most tasks involving navigation in three-dimensional environments provide the agent…

Machine Learning · Computer Science 2023-10-17 Matvey Gerasyov , Ilya Makarov