Graph Neural Networks Meet Neural-Symbolic Computing: A Survey and Perspective

Neural-symbolic computing has now become the subject of interest of both academic and industry research laboratories. Graph Neural Networks (GNN) have been widely used in relational and symbolic domains, with widespread application of GNNs in combinatorial optimization, constraint satisfaction, relational reasoning and other scientific domains. The need for improved explainability, interpretability and trust of AI systems in general demands principled methodologies, as suggested by neural-symbolic computing. In this paper, we review the state-of-the-art on the use of GNNs as a model of neural-symbolic computing. This includes the application of GNNs in several domains as well as its relationship to current developments in neural-symbolic computing.Comment: Updated version, draft of accepted IJCAI2020 Survey Pape

Identifying the Azobenzene/Aniline reaction intermediate on TiO2-(110) : a DFT Study

Density functional theory (DFT) calculations, both with and without dispersion corrections, have been performed to investigate the nature of the common surface reaction intermediate that has been shown to exist on TiO2(110) as a result of exposure to either azobenzene (C6H5N═NC6H5) or aniline (C6H5NH2). Our results confirm the results of a previous DFT study that dissociation of azobenzene into two adsorbed phenyl imide (C6H5N) fragments, as was originally proposed, is not energetically favorable. We also find that deprotonation of aniline to produce this surface species is even more strongly energetically disfavored. A range of alternative surface species has been considered, and while dissociation of azobenzene to form surface C6H4NH species is energetically favored, the same surface species cannot form from adsorbed aniline. On the contrary, adsorbed aniline is much the most stable surface species. Comparisons with experimental determinations of the local adsorption site, the Ti–N bond length, the molecular orientation, and the associated C 1s and N 1s photoelectron core level shifts are all consistent with the DFT results for adsorbed aniline and are inconsistent with other adsorbed species considered. Possible mechanisms for the hydrogenation of azobenzene required to produce this surface species are discussed

Enterocolite Induzida por Proteínas Alimentares: Uma Etiologia Rara

Introdução: A enterocolite induzida por proteínas alimentares (EIPA) é uma forma de hipersensibilidade gastrointestinal alimentar não mediada por imunoglobulina E, sendo provavelmente mediada por células. A fisiopatologia permanece incerta. O leite de vaca e os cereais estão entre as causas mais comuns. O diagnóstico baseia-se na história clínica. Descrição do caso: Descreve-se um caso raro de enterocolite à batata numa criança com antecedentes pessoais e familiares irrelevantes. O doente recusou várias vezes a introdução da primeira sopa (cenoura e batata) e sempre que a ingeria apresentava quadro de vómitos incoercíveis com desidratação, mas sem necessidade de internamento. Os testes cutâneos por picada com extrato de batata foram negativos e a prova de provocação oral foi positiva. Comentários: Neste contexto salienta-se a importância de reconhecer o quadro clínico de EIPA e estar alerta para a possibilidade de envolvimento de proteínas alimentares menos frequentes com o objetivo de fazer um diagnóstico precoce e evitar terapêuticas desadequadasinfo:eu-repo/semantics/publishedVersio

Jamming and percolation in the random sequential adsorption of a binary mixture on the square lattice

We study the competitive irreversible adsorption of a binary mixture of monomers and square-shaped particles of linear size $R$ on the square lattice. With the random sequential adsorption model, we investigate how the jamming coverage and percolation properties depend on the size ratio $R$ and relative flux $F$. We find that the onset of percolation of monomers is always lower for the binary mixture than in the case with only monomers ($R=1$). Moreover, for values $F$ below a critical value, the higher is the flux or size of the largest species, the lower is the value of the percolation threshold for monomers.Comment: Submitted to a special issue of Journal of Physics A: Mathematical and Theoretical to mark the 70th Birthday of Robert M. Zif

Ação larvicida de derivados arilsulfonilicos da (+)-canfora e da (+)-isopinocanfona sobre o carrapato Boophilus microplus.

Testou-se a atividade larvicida de 33 derivados arilsulfonílicos da (+)-cânfora e da (+)-isopinocanfona no carrapato B. microplus, na busca de princípios ativos menos tóxicos para o seu controle. Os produtos foram obtidos por clorossulfonação da (+)-cânfora e da (+)-isopinocanfona. Eles foram submetidos à solubilização e testados separadamente e em conjunto contra larvas de carrapato encerradas em envelopes contendo papéis impregnados e acondicionadas em estufa climatizada. A mortalidade média não atingiu 5% em todos os testes realizados, indicando que a clorossulfonação não é a rota de síntese mais adequada para a obtenção de derivados sintéticos com efeito larvicida sobre B. microplus. Os 33 produtos testados sob a forma de triagem biológica não podem ser considerados como potenciais acaricidas