5 citations · 17 across the 8 of their papers we have counts for
8 papers
A Damped Subspace Splitting Algorithm for Constrained Density Functional Theory
Yuanming Su, Yukuan Hu, Xin Liu +1
Constrained density functional theory (CDFT) provides a powerful framework for describing electronically excited and charge-localized states, which underlie a broad range of physic…
Lower Bound on the Representation Complexity of Antisymmetric Tensor Product Functions
Yuyang Wang, Yukuan Hu, Xin Liu
Tensor product function (TPF) approximations have been widely adopted in solving high-dimensional problems, such as partial differential equations and eigenvalue problems, achievin…
Projected gradient descent algorithm for crystal structure relaxation under a fixed unit cell volume
Yukuan Hu, Junlei Yin, Xingyu Gao +2
This paper is concerned with crystal structure relaxation under a fixed unit cell volume, which is a step in calculating the static equations of state and form…
Sampling-Based Methods for Multi-Block Optimization Problems over Transport Polytopes
Yukuan Hu, Mengyu Li, Xin Liu +1
This paper focuses on multi-block optimization problems over transport polytopes, which underlie various applications including strongly correlated quantum physics and machine lear…
The Exactness of the Penalty Function for a Class of Mathematical Programs with Generalized Complementarity Constraints
Yukuan Hu, Xin Liu
In a Mathematical Program with Generalized Complementarity Constraints (MPGCC), complementarity relationships are imposed between each pair of variable blocks. MPGCC includes the t…
A force-based gradient descent method for atomic structure relaxation
Yukuan Hu, Xingyu Gao, Yafan Zhao +2
Force-based algorithms for atomic structure relaxation, such as conjugate gradient methods, usually get stuck in the line minimization processes along s…
The Convergence Properties of Infeasible Inexact Proximal Alternating Linearized Minimization
Yukuan Hu, Xin Liu
The proximal alternating linearized minimization method (PALM) suits well for solving block-structured optimization problems, which are ubiquitous in real applications. In the case…
A Global Optimization Approach for Multi-Marginal Optimal Transport Problems with Coulomb Cost
Yukuan Hu, Huajie Chen, Xin Liu
In this work, we construct a novel numerical method for solving the multi-marginal optimal transport problems with Coulomb cost. This type of optimal transport problems arises in q…