8,822 research outputs found

    Multi-Entity Dependence Learning with Rich Context via Conditional Variational Auto-encoder

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    Multi-Entity Dependence Learning (MEDL) explores conditional correlations among multiple entities. The availability of rich contextual information requires a nimble learning scheme that tightly integrates with deep neural networks and has the ability to capture correlation structures among exponentially many outcomes. We propose MEDL_CVAE, which encodes a conditional multivariate distribution as a generating process. As a result, the variational lower bound of the joint likelihood can be optimized via a conditional variational auto-encoder and trained end-to-end on GPUs. Our MEDL_CVAE was motivated by two real-world applications in computational sustainability: one studies the spatial correlation among multiple bird species using the eBird data and the other models multi-dimensional landscape composition and human footprint in the Amazon rainforest with satellite images. We show that MEDL_CVAE captures rich dependency structures, scales better than previous methods, and further improves on the joint likelihood taking advantage of very large datasets that are beyond the capacity of previous methods.Comment: The first two authors contribute equall

    Electronic structure of the Au/benzene-1,4-dithiol/Au transport interface: Effects of chemical bonding

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    We present results of electronic structure calculations for well-relaxed Au/benzene-1,4-dithiol/Au molecular contacts, based on density functional theory and the generalized gradient approximation. Electronic states in the vicinity of the Fermi energy are mainly of Au 5d and S 3p symmetry, whereas contributions of C 2p states are very small. Hybridization between C 2p orbitals within the benzene substructure is strongly suppressed due to S-C bonding. In agreement with experimental findings, this corresponds to a significantly reduced conductance of the molecular contact.Comment: 7 pages, 5 figures, accepted by Chemical Physics Letter

    Charge-Density-Wave induced modifications to the quasiparticle self-energy in 2H TaSe2

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    The self-energy of the photo-hole in 2H-TaSe2 is measured by angle-resolved photoemission spectroscopy (ARPES) as a function of binding energy and temperature. In the charge-density wave (CDW) state, a structure in the self- energy is detected at ~ 65 meV that can not be explained by electron-phonon scattering. A reduction in the scattering rates below this energy indicates the collapse of a major scattering channel with the formation of the CDW state, accompanying the appearance of a bosonic "mode" in the excitation spectrum of the system.Comment: 4 pages, 4 eps figures, minor changes, references adde
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