相关论文: Arrow diagram method based on overlapping electron…

We develop random graph models where graphs are generated by connecting not only pairs of vertices by edges but also larger subsets of vertices by copies of small atomic subgraphs of arbitrary topology. This allows the for the generation of…

A Maple code is presented for algebraic collective model (ACM) calculations. The ACM is an algebraic version of the Bohr model of the atomic nucleus, in which all required matrix elements are derived by exploiting the model's SU(1,1) x…

Given a finite group $G$ and an extension of finite chain rings $S|R$, one can consider the group rings $\mathscr{S} = S[G]$ and $\mathscr{R} = R[G]$. The group ring $\mathscr{S}$ can be viewed as an $R$-bimodule, and any of its…

A linear-algebraic theory called 'multiple Arnoldi method' is presented and realizes large-scale (order-N) electronic structure calculation with generalized eigen-value equations. A set of linear equations, in the form of (zS-H) x = b, are…

Clustering bipartite graphs is a fundamental task in network analysis. In the high-dimensional regime where the number of rows $n_1$ and the number of columns $n_2$ of the associated adjacency matrix are of different order, existing methods…

The overlap operator in lattice QCD requires the computation of the sign function of a matrix, which is non-Hermitian in the presence of a quark chemical potential. In previous work we introduced an Arnoldi-based Krylov subspace…

Group equivariant neural networks are growing in importance owing to their ability to generalise well in applications where the data has known underlying symmetries. Recent characterisations of a class of these networks that use high-order…

A fast full-wave simulation technique is presented for the analysis of large irregular planar arrays of identical 3-D metallic antennas. The solution method relies on the Macro Basis Functions (MBF) approach and an interpolatory technique…

We pursue a study of the Generalized Demand Matching problem, a common generalization of the $b$-Matching and Knapsack problems. Here, we are given a graph with vertex capacities, edge profits, and asymmetric demands on the edges. The goal…

This paper examines the use of Lie group and Lie Algebra theory to construct the geometry of pairwise comparisons matrices. The Hadamard product (also known as coordinatewise, coordinate-wise, elementwise, or element-wise product) is…

A general method is described for finding algebraic expressions for matrix elements of any one- and two-particle operator for an arbitrary number of subshells in an atomic configuration, requiring neither coefficients of fractional…

Aggregated Relational Data (ARD) contain summary information about individual social networks and are widely used to estimate social network characteristics and the size of populations of interest. Although a variety of ARD estimators…

Anomaly detection in medical imaging is a challenging task in contexts where abnormalities are not annotated. This problem can be addressed through unsupervised anomaly detection (UAD) methods, which identify features that do not match with…

We consider framed chord diagrams, i.e. chord diagrams with chords of two types. It is well known that chord diagrams modulo 4T-relations admit Hopf algebra structure, where the multiplication is given by any connected sum with respect to…

We propose a novel approach to iterated sparse matrix dense matrix multiplication, a fundamental computational kernel in scientific computing and graph neural network training. In cases where matrix sizes exceed the memory of a single…

The vertex cover problem is a fundamental and widely studied combinatorial optimization problem. It is known that its standard linear programming relaxation is integral for bipartite graphs and half-integral for general graphs. As a…

The need for accurate calculations on atoms and diatomic molecules is motivated by the opportunities and challenges of such studies. The most commonly-used approach for all-electron electronic structure calculations in general - the linear…

In this paper, we introduce a graph matching method that can account for constraints of arbitrary order, with arbitrary potential functions. Unlike previous decomposition approaches that rely on the graph structures, we introduce a…

We propose a general algorithm for non-conforming adaptive mesh refinement (AMR) of unstructured meshes in high-order finite element codes. Our focus is on h-refinement with a fixed polynomial order. The algorithm handles triangular,…

We introduce new adaptive artificial anti-diffusion (AAAD) methods for one- and two-dimensional hyperbolic systems of conservation laws. The key idea is to reduce the amount of numerical dissipation present in a given numerical method by…