Graph Decipher: A transparent dual‐attention graph neural network to understand the message‐passing mechanism for the node classification
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Intelligent Systems"
DOI: 10.1002/int.22966
Abstract: Graph neural networks (GNNs) can be effectively applied to solve many real‐world problems across widely diverse fields. Their success is inseparable from the message‐passing mechanisms evolving over the years. However, current mechanisms treat all node… read more here.
Keywords: node classification; message passing; graph; graph neural ... See more keywords
Universal partially evolved parallelization of MOEA/D for multi-objective optimization on message-passing clusters
Sign Up to like & getrecommendations! Published in 2017 at "Soft Computing"
DOI: 10.1007/s00500-016-2125-y
Abstract: This paper presents a universal partially evolved parallelization of the multi-objective evolutionary algorithm based on decomposition (MOEA/D) for multi-objective optimization on message-passing clusters to reduce its computation time. The partially evolved MOEA/D (peMOEA/D) is suitable… read more here.
Keywords: partially evolved; multi objective; passing clusters; objective optimization ... See more keywords
Linear Optimal Control on Factor Graphs — A Message Passing Perspective —
Sign Up to like & getrecommendations! Published in 2017 at "IFAC-PapersOnLine"
DOI: 10.1016/j.ifacol.2017.08.914
Abstract: Abstract Factor graphs form a class of probabilistic graphical models representing the factorization of probability density functions as bipartite graphs. They can be used to exploit the conditional independence structure of the underlying model to… read more here.
Keywords: control; message passing; factor; optimal control ... See more keywords
RGBT tracking via cross-modality message passing
Sign Up to like & getrecommendations! Published in 2021 at "Neurocomputing"
DOI: 10.1016/j.neucom.2021.08.012
Abstract: Abstract Many RGBT trackers utilize adaptive weighting mechanism to treat dual modalities differently and obtain more robust feature representations for tracking. Although these trackers work well under certain conditions, however, they ignore the information interactions… read more here.
Keywords: modality message; message passing; cross modality; modality ... See more keywords
Neural Message Passing for NMR Chemical Shift Prediction
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c00195
Abstract: Fast and accurate prediction of NMR spectra enables automatic structure validation and elucidation of molecules on a large-scale. In this paper, we propose an improved method of learning from an NMR database to predict the… read more here.
Keywords: nmr chemical; passing nmr; message passing; neural message ... See more keywords
Message Passing Neural Networks Improve Prediction of Metabolite Authenticity
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c01383
Abstract: Cytochrome P450 enzymes aid in the elimination of a preponderance of small molecule drugs, but can generate reactive metabolites that may adversely react with protein and DNA and prompt drug candidate attrition or market withdrawal.… read more here.
Keywords: network; passing neural; message passing; authenticity ... See more keywords
Message Passing Neural Networks for Partial Charge Assignment to Metal–Organic Frameworks
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c04903
Abstract: Virtual screenings can accelerate and reduce the cost of discovering metal-organic frameworks (MOFs) for their applications in gas storage, separation, and sensing. In molecular simulations of gas ... read more here.
Keywords: neural networks; metal organic; message passing; passing neural ... See more keywords
Knowledge-Embedded Message-Passing Neural Networks: Improving Molecular Property Prediction with Human Knowledge
Sign Up to like & getrecommendations! Published in 2021 at "ACS Omega"
DOI: 10.1021/acsomega.1c03839
Abstract: The graph neural network (GNN) has become a promising method to predict molecular properties with end-to-end supervision, as it can learn molecular features directly from chemical graphs in a black-box manner. However, to achieve high… read more here.
Keywords: knowledge embedded; knowledge; property; message passing ... See more keywords
Predicting hERG channel blockers with directed message passing neural networks
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d1ra07956e
Abstract: Compounds with human ether-à-go-go related gene (hERG) blockade activity may cause severe cardiotoxicity. Assessing the hERG liability in the early stages of the drug discovery process is important, and the in silico methods for predicting… read more here.
Keywords: predicting herg; herg; message passing; channel blockers ... See more keywords
Low complexity detection based on selective message passing for SCMA systems
Sign Up to like & getrecommendations! Published in 2018 at "Electronics Letters"
DOI: 10.1049/el.2018.0125
Abstract: The sparse code multiple access (SCMA) systems rely on multiuser detection schemes to achieve high spectral efficiency and massive connectivity. The existing multiuser detection schemes employ a message passing algorithm (MPA) to achieve the goal… read more here.
Keywords: detection; complexity; based selective; message passing ... See more keywords
Analysis of random sequential message passing algorithms for approximate inference
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Statistical Mechanics: Theory and Experiment"
DOI: 10.1088/1742-5468/ac764a
Abstract: We analyze the dynamics of a random sequential message passing algorithm for approximate inference with large Gaussian latent variable models in a student–teacher scenario. To model nontrivial dependencies between the latent variables, we assume random… read more here.
Keywords: random sequential; message passing; sequential message; model ... See more keywords