Related papers: Algebraic Combinatorics in Mathematical Chemistry.…

We report an all-electron, atomic orbital (AO) based, two-component (2C) implementation of the $GW$ approximation (GWA) for closed-shell molecules. Our algorithm is based on the space-time formulation of the GWA and uses analytical…

It is well known that almost all graphs are canonizable by a simple combinatorial routine known as color refinement, also referred to as the 1-dimensional Weisfeiler-Leman algorithm. With high probability, this method assigns a unique label…

A connected undirected graph $G = (V,E)$ is lower conformally rigid if uniform edge weights maximize the second smallest Laplacian eigenvalue $\lambda_2(w)$ over all normalized edge weights $w$, and upper conformally rigid if uniform edge…

We consider the problem of deterministically factoring a univariate polynomial over a finite field under the assumption of the Extended Riemann Hypothesis (ERH). This work builds upon the line of approach first explored by Gao in $2001$.…

We present two new combinatorial tools for the design of parameterized algorithms. The first is a simple linear time randomized algorithm that given as input a $d$-degenerate graph $G$ and an integer $k$, outputs an independent set $Y$,…

Let G be a graph of order $n$ with adjacency matrix $A(G)$ and diagonal matrix of degree $D(G)$. For every $\alpha \in [0,1]$, Nikiforov \cite{VN17} defined the matrix $A_\alpha(G) = \alpha D(G) + (1-\alpha)A(G)$. In this paper we present…

Graphs are closely related to quantum error-correcting codes: every stabilizer code is locally equivalent to a graph code, and every codeword stabilized code can be described by a graph and a classical code. For the construction of good…

We study the $a$-sequence $(a_0(G), a_1(G), \cdots)$ of a finite simple graph $G$, defined recursively through a combinatorial rule and known to coincide with the sequence of rational Betti numbers of the real toric variety associated with…

To any element of a connected, simply connected, semisimple complex algebraic group G and a choice of an element of the corresponding Weyl group there is an associated Lusztig variety. When the element of G is regular semisimple, the…

We consider the graph similarity computation (GSC) task based on graph edit distance (GED) estimation. State-of-the-art methods treat GSC as a learning-based prediction task using Graph Neural Networks (GNNs). To capture fine-grained…

We consider decompositions of digraphs into edge-disjoint paths and describe their connection with the $n$-th Weyl algebra of differential operators. This approach gives a graph-theoretic combinatorial view of the normal ordering problem…

This paper presents an auto-stabilized weak Galerkin (WG) finite element method for the Biot's consolidation model within the classical displacement-pressure two-field formulation. Unlike traditional WG approaches, the proposed scheme…

This paper presents estimates of the convergence rate and complexity of an algebraic multilevel preconditioner based on piecewise constant coarse vector spaces applied to the graph Laplacian. A bound is derived on the energy norm of the…

Let Gamma be a Q-polynomial distance-regular graph with vertex set X, diameter D geq 3 and adjacency matrix A. Fix x in X and let A*=A*(x) be the corresponding dual adjacency matrix. Recall that the Terwilliger algebra T=T(x) is the…

In a recent paper, the authors have shown that the secondary reduction of W-algebras provides a natural framework for the linearization of W-algebras. In particular, it allows in a very simple way the calculation of the linear algebra…

In this article we consider the graph alignment problem from the perspective of high-dimensional statistics: we aim to estimate an unknown permutation $\pi^*$ from the observation of two correlated random adjacency matrices $A_1$, $A_2$. We…

Given a hereditary family $\mathcal{G}$ of admissible graphs and a function $\lambda(G)$ that linearly depends on the statistics of order-$\kappa$ subgraphs in a graph $G$, we consider the extremal problem of determining…

Stabilizer states form an important class of states in quantum information, and are of central importance in quantum error correction. Here, we provide an algorithm for deciding whether one stabilizer (target) state can be obtained from…

In the present paper we introduce a notion of $G-$decompositions of matrices. Main result of the paper is that a symmetric matrix $A_m$ has a $G-$decomposition in the class of stochastic (resp. substochastic) matrices if and only if $A_m$…

For a given abelian group G, we classify the isomorphism classes of G-gradings on the simple restricted Lie algebras of types W(m;1) and S(m;1) (m>=2), in terms of numerical and group-theoretical invariants. Our main tool is automorphism…