Related papers: Improved Implementation of Approximate Full Mass M…
Quantum Interior Point Methods (QIPMs) have been attracting significant interests recently due to their potential of solving optimization problems substantially faster than state-of-the-art conventional algorithms. In general, QIPMs use…
Clustering is a basic task in data analysis and machine learning, and the optimization of clustering objectives are well-studied optimization problems; amongst these, the $k$-Means objective is arguably the most well known. Given a…
This paper presents a new fast active-set quadratic programming (QP) solver based on inverse matrix updates, which is suitable for real-time model predictive control (MPC). This QP solver, called imuQP (inverse matrix update QP), is based…
Systems of correlated quantum matter can be a steep challenge to any would-be method of solution. Matrix-product state (MPS)-based methods can describe 1D systems quasiexactly, but often struggle to retain sufficient bipartite entanglement…
Solving semidefinite programs (SDP) in a short time is the key to managing various mathematical optimization problems. The matrix-completion primal-dual interior-point method (MC-PDIPM) extracts a sparse structure of input SDP by…
We present a new accelerated gradient-based method for solving smooth unconstrained optimization problems. The goal is to embed a heavy-ball type of momentum into the Fast Gradient Method (FGM). For this purpose, we devise a generalization…
The implementation and validation of the adaptive buffered force QM/MM method in two popular packages, CP2K and AMBER are presented. The implementations build on the existing QM/MM functionality in each code, extending it to allow for…
This paper proposes an efficient adaptive variant of a quadratic penalty accelerated inexact proximal point (QP-AIPP) method proposed earlier by the authors. Both the QP-AIPP method and its variant solve linearly set constrained nonconvex…
Astrophysical plasmas in relativistic spacetimes, such as black hole accretion flows, are often weakly collisional and require kinetic modeling to capture non-local transport and particle acceleration. However, the extreme scale separation…
Minimum-weight perfect matching (MWPM) has been been the primary classical algorithm for error correction in the surface code, since it is of low runtime complexity and achieves relatively low logical error rates [Phys. Rev. Lett. 108,…
Accurate structural relaxation is critical for advanced materials design. Traditional approaches built on physics-derived first-principles calculations are computationally expensive, motivating the creation of machine-learning interatomic…
We develop higher order multipoint flux mixed finite element (MFMFE) methods for solving elliptic problems on quadrilateral and hexahedral grids that reduce to cell-based pressure systems. The methods are based on a new family of mixed…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…
The mass matrix for Gauss-Lobatto grid points is usually approximated by Gauss-Lobatto quadrature because this leads to a diagonal matrix that is easy to invert. The exact mass matrix and its inverse are full. We show that the exact mass…
Despite the numerous uses of semidefinite programming (SDP) and its universal solvability via interior point methods (IPMs), it is rarely applied to practical large-scale problems. This mainly owes to the computational cost of IPMs that…
The Adaptive Smoothing Method (ASM) is a data-driven approach for traffic state estimation. It interpolates unobserved traffic quantities by smoothing measurements along spatio-temporal directions defined by characteristic traffic wave…
Adaptive multilevel finite element methods are developed and analyzed for certain elliptic systems arising in geometric analysis and general relativity. This class of nonlinear elliptic systems of tensor equations on manifolds is first…
This paper is concerned with the modeling errors appeared in the numerical methods of inverse medium scattering problems (IMSP). Optimization based iterative methods are wildly employed to solve IMSP, which are computationally intensive due…
While globally optimal solutions to many convex programs can be computed efficiently in polynomial time, this is, in general, not possible for nonconvex optimization problems. Therefore, locally optimal approaches or other efficient…
The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…