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Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space.

, , and . CoRR, (2022)

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ODBO: Bayesian Optimization with Search Space Prescreening for Directed Protein Evolution., , , , and . CoRR, (2022)Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space., , and . CoRR, (2022)Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Process., , and . CoRR, (2021)Framework Design and Application of Enterprise Intranet Automation Operation and Maintenance., , and . EITCE, page 1531-1535. ACM, (2021)A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules., , and . CoRR, (2019)Molecular-orbital-based Machine Learning for Open-shell and Multi-reference Systems with Kernel Addition Gaussian Process Regression., , , , and . CoRR, (2022)Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning., , and . CoRR, (2022)Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning., , , and . CoRR, (2019)Error-mitigated Quantum Approximate Optimization via Learning-based Adaptive Optimization., , , and . CoRR, (2023)Object Bounding Box-Aware Embedding for Point Cloud Instance Segmentation., , and . PRICAI (3), volume 13033 of Lecture Notes in Computer Science, page 182-194. Springer, (2021)