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Direction Aware Positional and Structural Encoding for Directed Graph Neural Networks.

, , , , , , and . ICASSP, page 1-5. IEEE, (2023)

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Legendre Spectral Projection Methods for Fredholm-Hammerstein Integral Equations., , , and . J. Sci. Comput., 68 (1): 213-230 (2016)Corrigendum to: "Convergence analysis of discrete legendre spectral projection methods for hammerstein integral equations of mixed type" Applied Mathematics and Computation Volume 265, 15 August 2015, Pages 574-601., and . Appl. Math. Comput., (2016)Optimizing Molecules using Efficient Queries from Property Evaluations., , , , and . CoRR, (2020)Toward A Neuro-inspired Creative Decoder., , , and . CoRR, (2019)Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units., , , , , , , , , and 3 other author(s). J. Chem. Inf. Model., 64 (5): 1568-1580 (March 2024)Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction., , , , and . Proc. Natl. Acad. Sci. USA, 103 (26): 9885-9890 (2006)Superconvergence of Iterated Galerkin Method for a Class of Nonlinear Fredholm Integral Equations., , and . ICITAM, volume 863 of Studies in Computational Intelligence, page 53-74. Springer, (2019)Causal Graphs Underlying Generative Models: Path to Learning with Limited Data., , , , and . CoRR, (2022)AlphaFold Distillation for Improved Inverse Protein Folding., , , and . CoRR, (2022)Reprogramming Language Models for Molecular Representation Learning., , and . CoRR, (2020)