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Lixue Cheng

Highly Accurate Real-space Electron Densities with Neural Networks

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Sep 02, 2024
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Error-mitigated Quantum Approximate Optimization via Learning-based Adaptive Optimization

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Mar 27, 2023
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Molecular-orbital-based Machine Learning for Open-shell and Multi-reference Systems with Kernel Addition Gaussian Process Regression

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Jul 17, 2022
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Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning

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May 31, 2022
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ODBO: Bayesian Optimization with Search Space Prescreening for Directed Protein Evolution

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May 20, 2022
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Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space

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Apr 21, 2022
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Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Process

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Sep 20, 2021
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Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning

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Sep 09, 2019
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A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules

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Jan 10, 2019
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