Statistical relational learning (SRL) and graph neural networks (GNNs) are two powerful approaches for learning and inference over graphs. Typically, they are evaluated in terms of simple metrics such as accuracy over individual node labels. Complex aggregate graph queries (AGQ) involving multiple nodes, edges, and labels are common in the graph mining community and are used to estimate important network properties such as social cohesion and influence. While graph mining algorithms support AGQs, they typically do not take into account uncertainty, or when they do, make simplifying assumptions and do not build full probabilistic models. In this paper, we examine the performance of SRL and GNNs on AGQs over graphs with partially observed node labels. We show that, not surprisingly, inferring the unobserved node labels as a first step and then evaluating the queries on the fully observed graph can lead to sub-optimal estimates, and that a better approach is to compute these queries as an expectation under the joint distribution. We propose a sampling framework to tractably compute the expected values of AGQs. Motivated by the analysis of subgroup cohesion in social networks, we propose a suite of AGQs that estimate the community structure in graphs. In our empirical evaluation, we show that by estimating these queries as an expectation, SRL-based approaches yield up to a 50-fold reduction in average error when compared to existing GNN-based approaches.
Boundary estimation and tracking have important applications in the areas of environmental monitoring and disaster management. A boundary separates two regions of interest in a phenomenon. It can be visualized as an edge if there is a sharp change in the field value between the two regions or alternatively, as a contour with a field value separating two regions with field values and . Examples include contours/boundaries of hazardous concentration in a pollutant spill, frontal boundary of a forest fire, isotherms, isohalines etc. Recent advances in the area of embedded sensor devices and robotics have led to deployments of networks of sensors capable of sensing, computing, communication and mobility. They are used to estimate the boundaries of interest in physical phenomena, monitor or track them over time and also in some cases, mitigate the spatial spread of the phenomena. Since these sensors work autonomously in the environment, minimizing the energy consumed while maximizing the accuracy of estimation or tracking is the main challenge for algorithms for boundary estimation and tracking. Several algorithms with these objectives have been proposed in the literature. In this work, we focus on the algorithms that estimate and cover boundaries found in the sensory data in a field and not the topological boundary of the sensor network per se, which is beyond the scope of this paper.Here, our objective is to provide a comprehensive survey of the algorithms for boundary estimation and tracking by providing a taxonomy based on two broad categories — (i) Boundary estimation and tracking, where the sensors estimate the boundary without physically covering the boundary and (ii) Boundary covering — where the sensors not only predict the location and estimate the entire boundary but also physically cover the boundary by surrounding and bounding it. We further classify the techniques based on (a) sensing capabilities —in situ, range or remote sensing (b) movement capabilities — static or mobile sensors and (c) boundary type — static or dynamic and (d) type of estimation — field estimation where the entire field is sampled to search for contours and localized estimation where sampling is done near the boundary and (e) different types of mobility models in the case of mobile sensors. We believe that such a survey has not been performed before. By capturing and classifying the current state-of-the-art and identifying open research problems, we hope to ignite interest and stimulate efforts towards promising solutions for real-world boundary estimation and tracking problems. 相似文献
Mixing experiments were performed on Ni/Pt and René N4/Pt systems to understand the effect of interfacial impurities on the ion-beam mixing process. A layer of platinum 15 or 50 nm thick was deposited on metallographically polished sputter-cleaned nickel and René N4 substrates as well as on metallographically polished uncleaned René N4 by electron-beam deposition techniques. These targets were exposed to the bombardment of a Pt+ 1 MeV beam. A range of fluences, 2×1015 to 2×1016 Pt+/cm2+ was used to cause intermixing. The amount of mixing was evaluated by Rutherford backscattering spectroscopy and Auger sputter depth profiling. The mixing rates were the same for Ni/Pt and René N4/Pt with the clean interface. However, it was significantly less in René N4/Pt with an interfacial native oxide/impurity layer. The initial high volume fraction of precipitates in René N4 along the ion path became disordered under bombardment, and the alloying elements present significantly in the resultant solid solution did not influence the mixing process. Mixing in Ni/Pt and René N4/Pt with the clean interface appears to be dominated by thermochemical influences. 相似文献
A 3-D model of a protein can be constructed from its amino acidsequence and the 3-D structures of one or more homologues byannealing three sets of fragments: the structurally conservedregions, structurally variable regions and the side chains.The method encoded in the computer program COMPOSER was assessedby generating 3-D models of eight proteins whose crystal structuresare already known and for which 3-D structures of homologuesare available. In the structurally conserved regions, differencesbetween modelled and X-ray structures are smaller than the differencesbetween the X-ray structures of the modelled protein and thehomologues used to build the model. When several homologuesare used, the contributions of the known structures are weighted,preferably by the square of sequence similarity; this is especiallyimportant when the similarities of the homologues to the modelledstructure differ greatly. The collar extensionapproach, in which a similar region of different length in ahomologue is used to extend the framework, can result in a moreaccurate model. If known homologues comprise more than one relatedgroup of proteins and they are both distantly related to theunknown, then alignment of the sequence to be modelled witheach group of homologues facilitates identification of structurallyconserved regions of the unknown and leads to an improved model.Models have root mean square differences (r.m.s.d.s) with thestructures defined by X-ray analysis of between 0.73 and 1.56Å for all C atoms, for seven of the eight models. Forthe model of mucor pepsin, where the closest homologue has 33%sequence identity and 20% of the residues are in structurallyvariable regions, the r.m.s.d. for the framework region is 1.71Å and the r.m.s.d. for all C atoms is 3.47 Â. 相似文献
A method for the preparation of high surface area coatings and its application towards fabrication of prospective composite electrocatalysts for hydrogen evolution is proposed. Exploratory studies with such a composite, (Ni/LaNiO3), as a hydrogen electrode in alkaline solutions indicate that it is a more active electrocatalyst than sintered or electrodeposited nickel. The electrocatalytic properties were found to be a strong function of the deposition parameters as well as of the history of the oxide powder. 相似文献
An explicit finite difference scheme is proposed for nonlinear convective problems. The procedure is applied to a nonlinear convective diffusion problem with a nonlinear boundary condition. It is shown that the nonlinear boundary condition may be treated directly without linearization which has to be carried out in the implicit method to avoid a nonlinear system of algebraic equations. The explicit procedure is more direct and less cumbersome than the implicit procedure and the answers are in excellent agreement with those of the implicit method. 相似文献
The electrochemical oxidation and reduction of hydrogen and chlorine in hydrochloric acid has been investigated on graphite, ruthenized titanium and platinum electrodes. Both steady state and potentiostatic pulse methods were used. Cell studies were also carried out in cells with flow-by and flow-through chlorine electrodes. Results indicate that the electrode kinetics are fast and the electrolysis and fuel cell reactions can be carried out in the same cell with electric-to-electric efficiencies in excess of 75% at current densities of 300 mA cm–2. Mass transfer limitations at the chlorine electrode during discharge can be eliminated by cell pressurization and the use of flow-through electrodes.This study was carried out under the auspices of the US Department of Energy.in the summers of 1976 and 1977 相似文献
Poly(ethyl acrylate) (PEA), solution polymerized in methyl ethyl ketone by free radical initiation, was fractionated and the fractions were characterized by light scattering, viscometry and osmometry. Fractions obtained were in the molecular weight range of 0·3 × 106 to 1·6 × 106 with a polydispersity of 1.40. The following Mark-Houwink relations were established:It was found that n-propanol at 39.5°C was a theta solvent for poly(ethyl acrylate) and that acetone was a poor solvent compared to methyl ethyl ketone. A relation between the molecular dimension and the molecular weight was established. It was observed that the chain dimensions of poly(ethyl acrylate) and poly(butyl acrylate) were considerably larger than poly(ethyl methacrylate) and poly(butyl methacrylate) respectively. The validity of various extrapolation procedures that have been proposed for calculating the unperturbed dimensions have been examined. The steric factor for PEA was 2·16 compared to 2·10 for poly(ethyl methacrylate). Root mean square end-to-end distances were calculated from the Debye-Bueche and Kirkwood-Riseman methods and compared with the experimental values. 相似文献