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A Multimodal Representation Learning Framework for Molecular Graph and NMR Spectrum Alignment [PDF]
EntropyAccurate matching between molecular structures and NMR spectra is an important task in automated structure elucidation. However, existing methods still face difficulties in jointly modeling multi-scale molecular topology and effectively exploiting the ...
Xiao Li +4 more
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Spectra of Graphs Resulting from Various Graph Operations and Products: a Survey
Special Matrices, 2018 Let G be a graph on n vertices and A(G), L(G), and |L|(G) be the adjacency matrix, Laplacian matrix and signless Laplacian matrix of G, respectively. The paper is essentially a survey of known results about the spectra of the adjacency, Laplacian and ...
Barik S., Kalita D., Pati S., Sahoo G.
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Accurate prediction of tensorial spectra using equivariant graph neural network [PDF]
Nature CommunicationsOptical spectroscopies provide a powerful means to probe light-matter interactions and complex electronic features that are crucial for the development and optimization of optoelectronic devices, where performance is closely tied to the underlying ...
Ting-Wei Hsu +3 more
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Simplices and Spectra of Graphs [PDF]
Discrete & Computational Geometry, 2009 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Bojan Mohar, Igor Rivin
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Contribution of directedness in graph spectra
Physical Review Research, 2022 In graph analyses, directed edges are often approximated to undirected ones so that the adjacency matrices may be symmetric. However, such a simplification has not been thoroughly verified. In this study, we investigate how directedness affects the graph
Masaki Ochi, Tatsuro Kawamoto
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مجلة بغداد للعلوم, 2023 The concept of the order sum graph associated with a finite group based on the order of the group and order of group elements is introduced. Some of the properties and characteristics such as size, chromatic number, domination number, diameter ...
Javeria Amreen, Sudev Naduvath
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Spectral recognition of graphs [PDF]
Yugoslav Journal of Operations Research, 2012 At some time, in the childhood of spectral graph theory, it was conjectured that non-isomorphic graphs have different spectra, i.e. that graphs are characterized by their spectra.
Cvetković Dragoš
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On the distance spectra of m-generation n-prism graph
AKCE International Journal of Graphs and Combinatorics, 2022 The distance matrix of a simple connected graph G is [Formula: see text] where dij is the length of a shortest path between the ith and jth vertices of G. Eigenvalues of D(G) are called the distance eigenvalues of G. The m-generation n-prism graph or (m,
Fouzul Atik +2 more
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The spectral characterization of the connected multicone graphs
AKCE International Journal of Graphs and Combinatorics, 2020 A multicone graph is defined to be the join of a clique and a regular graph. Let , and be natural numbers, and let and denote a complete graph and a complete bipartite graph, respectively.
Ali Zeydi Abdian +2 more
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SPECTRA OF PRINCIPAL GRAPHS [PDF]
International Journal of Mathematics, 2001 We show that if the adjacency matrices of the two principal graphs of a finite index subfactor are regarded as (necessarily bounded, self-adjoint) operators on the ℓ2 spaces over their vertex sets, then their spectral measures, when restricted to the complement of {0}, are mutually absolutely continuous.
Kodiyalam, Vijay, Sunder, V. S.
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