相关论文: A general algorithm for calculating irreducible Br…
It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…
Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…
This paper proposes a content based image retrieval (CBIR) system using the local colour and texture features of selected image sub-blocks and global colour and shape features of the image. The image sub-blocks are roughly identified by…
The problem of designing distributed optimization algorithms that are resilient to Byzantine adversaries has received significant attention. For the Byzantine-resilient distributed optimization problem, the goal is to (approximately)…
Existing networks directly learn feature representations on 3D point clouds for shape analysis. We argue that 3D point clouds are highly redundant and hold irregular (permutation-invariant) structure, which makes it difficult to achieve…
In computer graphics, smooth data reconstruction on 2D or 3D manifolds usually refers to subdivision problems. Such a method is only valid based on dense sample points. The manifold usually needs to be triangulated into meshes (or patches)…
Partitionings (or segmentations) divide a given domain into disjoint connected regions whose union forms again the entire domain. Multi-dimensional partitionings occur, for example, when analyzing parameter spaces of simulation models,…
A mixed basis approach based on density functional theory is employed for low dimensional systems. The basis functions are taken to be plane waves for the periodic direction multiplied by B-spline polynomials in the non-periodic direction.…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…
In many applications, we need algorithms which can align partially overlapping point sets and are invariant to the corresponding transformations. In this work, a method possessing such properties is realized by minimizing the objective of…
The paper first recalls the Blahut Arimoto algorithm for computing the capacity of arbitrary discrete memoryless channels, as an example of an iterative algorithm working with probability density estimates. Then, a geometrical…
Structured optimization problems are ubiquitous in fields like data science and engineering. The goal in structured optimization is using a prescribed set of points, called atoms, to build up a solution that minimizes or maximizes a given…
Machine learning potentials (MLPs) for atomistic simulations have an enormous prospective impact on materials modeling, offering orders of magnitude speedup over density functional theory (DFT) calculations without appreciably sacrificing…
In this paper, we develop new fast and efficient algorithms for designing single/multiple unimodular waveforms/codes with good auto- and cross-correlation or weighted correlation properties, which are highly desired in radar and…
We propose an efficient algorithm for density fitting of Bloch waves for Hamiltonian operators with periodic potential. The algorithm is based on column selection and random Fourier projection of the orbital functions. The computational…
A linear-time algorithm is presented for the construction of the Gibbs distribution of configurations in the Ising model, on a quantum computer. The algorithm is designed so that each run provides one configuration with a quantum…
We exhibit a probabilistic algorithm which computes a rational point of an absolutely irreducible variety over a finite field defined by a reduced regular sequence. Its time--space complexity is roughly quadratic in the logarithm of the…
Regularized arrangement of primitives on building fa\c{c}ades to aligned locations and consistent sizes is important towards structured reconstruction of urban environment. Mixed integer linear programing was used to solve the problem,…
Mixed-integer programming (MIP) provides a powerful framework for optimization problems, with Branch-and-Cut (B&C) being the predominant algorithm in state-of-the-art solvers. The efficiency of B&C critically depends on heuristic policies…