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Accurate prediction of molecular correlation energies from first principles requires resolving the {O}(N^4) electron repulsion integral (ERI) tensor. Existing graph neural network approaches to the electronic structure problem often…

Chemical Physics · Physics 2026-05-26 Abdul Samad Khan

We point out that, when the dimension of the Hilbert space is greater than two, Bell's operators entering the Bell-CHSH inequality exhibit unitarily inequivalent representations. Although the Bell-CHSH inequality turns out to be violated,…

Quantum Physics · Physics 2023-06-14 Silvio Paolo Sorella

We produce a new proof and extend results by Harrell and Stubbe for the discrete spectrum of a self-adjoint operator. An abstract approach--based on commutator algebra, the Rayleigh-Ritz principle, and an ``optimal'' usage of the…

Spectral Theory · Mathematics 2007-12-31 Mark S. Ashbaugh , Lotfi Hermi

Nonlocality is one of the key features of quantum physics, which is revealed through the violation of a Bell inequality. In large multipartite systems, nonlocality characterization quickly becomes a challenging task. A common practice is to…

Quantum Physics · Physics 2026-02-13 Mengyao Hu , Eloïc Vallée , Tim Seynnaeve , Patrick Emonts , Fatemeh Mohammadi , Jordi Tura

Network topology inference is a prominent problem in Network Science. Most graph signal processing (GSP) efforts to date assume that the underlying network is known, and then analyze how the graph's algebraic and spectral characteristics…

Signal Processing · Electrical Eng. & Systems 2019-05-22 Gonzalo Mateos , Santiago Segarra , Antonio G. Marques , Alejandro Ribeiro

We provide formulas for invariants defined on a tensor product of defining representations of unitary groups, under the action of the product group. This situation has a physical interpretation, as it is related to the quantum mechanical…

Representation Theory · Mathematics 2011-11-01 Michael W. Hero , Jeb F. Willenbring , Lauren Kelly Williams

In the dimer model, a configuration consists of a perfect matching of a fixed graph. If the underlying graph is planar and bipartite, such a configuration is associated to a height function. For appropriate "critical" (weighted) graphs,…

Probability · Mathematics 2014-07-24 Julien Dubédat

We consider how to connect a set of disjoint networks to optimize the performance of the resulting composite network. We quantify this performance by the coherence of the composite network, which is defined by an $H_2$ norm of the system.…

Optimization and Control · Mathematics 2017-04-11 Erika Mackin , Stacy Patterson

This chapter deals with the notion of the resolvent of a self-adjoint operator. We pay special attention to the convergence of unbounded self-adjoint operators in several resolvent senses, and how they are related to the convergence of…

Analysis of PDEs · Mathematics 2025-11-12 Joaquim Duran

Large graphs abound in machine learning, data mining, and several related areas. A useful step towards analyzing such graphs is that of obtaining certain summary statistics - e.g., or the expected length of a shortest path between two…

Machine Learning · Statistics 2013-12-02 Mikhail Langovoy , Suvrit Sra

We establish a second anti-blocker theorem for non-commutative convex corners, show that the anti-blocking operation is continuous on bounded sets of convex corners, and define optimisation parameters for a given convex corner that…

Operator Algebras · Mathematics 2024-09-25 Gareth Boreland , Ivan G. Todorov , Andreas Winter

Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-structured data. Exiting GNN architectures usually adopt simple pooling operations (eg. sum, average,…

Machine Learning · Computer Science 2022-10-21 Chenqing Hua , Guillaume Rabusseau , Jian Tang

We consider the space-fractional operator with order $0<\alpha<1$ on the metric star graph. The boundary conditions at the vertices of the metric star graph providing the self-adjointness of the operator are derived. The obtained result is…

Spectral Theory · Mathematics 2023-05-03 K. K. Sabirov , R. R. Ashurov

We consider a second order self-adjoint operator in a domain which can be bounded or unbounded. The boundary is partitioned into two parts with Dirichlet boundary condition on one of them, and Neumann condition on the other. We assume that…

Spectral Theory · Mathematics 2018-09-28 Denis Borisov , Ivan Veselic'

Bounds are proved for the connective constant \mu\ of an infinite, connected, \Delta-regular graph G. The main result is that \mu\ \ge \sqrt{\Delta-1} if G is vertex-transitive and simple. This inequality is proved subject to weaker…

Combinatorics · Mathematics 2013-05-02 Geoffrey R. Grimmett , Zhongyang Li

The paper introduces unbounded antilinear operators on Hilbert spaces and develops their fundamental theory. In particular, we establish a closed range theorem, a polar decomposition theorem, and the convexity of the numerical range for…

Functional Analysis · Mathematics 2026-05-25 Arup Majumdar

We consider an algebraic formulation of Quantum Theory and develop a combinatorial model of the Heisenberg-Weyl algebra structure. It is shown that by lifting this structure to the richer algebra of graph operator calculus, we gain a simple…

Quantum Physics · Physics 2012-06-28 P. Blasiak , A. Horzela , G. H. E. Duchamp , K. A. Penson , A. I. Solomon

The celebrated Cheeger's Inequality \cite{am85,a86} establishes a bound on the expansion of a graph via its spectrum. This inequality is central to a rich spectral theory of graphs, based on studying the eigenvalues and eigenvectors of the…

Discrete Mathematics · Computer Science 2014-10-31 Anand Louis

In recent years, there has been considerable interest in estimating conditional independence graphs in the high-dimensional setting. Most prior work has assumed that the variables are multivariate Gaussian, or that the conditional means of…

Methodology · Statistics 2013-04-19 Arend Voorman , Ali Shojaie , Daniela Witten

Matrix representations of quantum operators are computationally complete but often obscure the structural topology of information flow within a quantum circuit \cite{nielsen2000}. In this paper, we introduce a generalized graph-theoretic…

Quantum Physics · Physics 2026-03-03 Wesley Lewis , Darsh Pareek , Umesh Kumar , Ravi Janjam