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Machine Learning Meets with Metal Organic Frameworks for Gas Storage and Separation ================================================================================= Cigdem Altintas, Omer Faruk Altundal, Seda Keskin, and Ramazan Yildirim Journal of Chemical Information and Modeling 2021 61 (5), 2131-2146 DOI: 10.1021/acs.jcim.1c00191 Transfer Learning Study of Gas Adsorption in Metal–Organic Frameworks ================================================================================= Ruimin Ma, Yamil J. Colón, and Tengfei Luo ACS Applied Materials & Interfaces 2020 12 (30), 34041-34048 DOI: 10.1021/acsami.0c06858 A Comprehensive Survey on Graph Neural Networks ================================================================================= Wu, Zonghan et al IEEE Transactions on Neural Networks and Learning Systems Volume 32, Pages 4-24, 2019 Neural Message Passing for Quantum Chemistry ================================================================================= https://github.com/brain-research/mpnn Exploring Bayesian Optimization ================================================================================= https://distill.pub/2020/bayesian-optimization/ A Survey of Deep Active Learning ================================================================================= https://deepai.org/publication/a-survey-of-deep-active-learning. Transferable Multilevel Attention Neural Network for Accurate Prediction of Quantum Chemistry Properties via Multitask Learning ================================================================================= Z. Liu, L. Lin, Q. Jia, Z. Cheng, Y. Jiang, Y. Guo, and J. Ma, “Transferable multilevel attention neural network for accurate prediction of quantum chemistry properties via multitask learning,” ACS Publications, 2021. Multi-Task Learning on Graphs with Node and Graph Level Labels ================================================================================= https://grlearning.github.io/papers/132.pdf An Overview of Multi-Task Learning in Deep Neural Networks ================================================================================= S. Ruder, “An overview of multi-task learning in Deep Neural Networks,” arXiv.org, 15-Jun-2017. https://arxiv.org/abs/1706.05098v1 A Comprehensive Survey on Transfer Learning ================================================================================= F. Zhuang, Z. Qi, K. Duan, D. Xi, Y. Zhu, H. Zhu, H. Xiong, and Q. He, “A comprehensive survey on Transfer Learning,” Cornell University, 07-Nov-2019. https://arxiv.org/abs/1911.02685 SIMPLE SPECTRAL GRAPH CONVOLUTION ================================================================================= H. Zhu and P. Koniusz, “Simple spectral graph convolution,” OpenReview, 27-Mar-2021. https://openreview.net/forum?id=CYO5T-YjWZV A Survey On Graph Kernels ================================================================================= Kriege, N.M., Johansson, F.D. & Morris, C. Appl Netw Sci 5, 6 (2020). https://doi.org/10.1007/s41109-019-0195-3 Fast geometric deep learning with continuous b-spline kernels ================================================================================= Fey, M, Lenssen JE, Weichert F, Müller H (2018) SplineCNN: Fast geometric deep learning with continuous b-spline kernels In: IEEE Conference on Computer Vision and Pattern Recognition, 869–877. https://doi.org/10.1109/cvpr.2018.00097. A Survey on Deep Learning: Algorithms, Techniques, and Applications ================================================================================= Samira Pouyanfar, Saad Sadiq, Yilin Yan, Haiman Tian, Yudong Tao, Maria Presa Reyes, Mei-Ling Shyu, Shu-Ching Chen, and S. S. Iyengar. 2018. ACM Comput. Surv. 51, 5, Article 92 (January 2019), 36 pages. DOI:https://doi.org/10.1145/3234150 Graph Neural Network and Some of GNN Applications ================================================================================= https://neptune.ai/blog/graph-neural-network-and-some-of-gnn-applications Residual or Gate? Towards Deeper Graph Neural Networks for Inductive Graph Representation Learning ================================================================================= https://arxiv.org/abs/1904.08035
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Collection of literature reviewed for predicting gas adsorptions with message passing.
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