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Articles by Weiluo Ren
Spin-adapted neural network wavefunctions in real space
Abstract Spin plays a fundamental role in understanding electronic structure, yet many real-space wavefunction methods fail to adequately consider it. We introduce the spin-adapted antisymmetrization method, a general procedure that enforces exact total spin symmetry for antisymmetric many-electron wavefunctions in real space.
A computational framework for neural network-based variational Monte Carlo with Forward Laplacian - Nature Machine Intelligence
Abstract Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of existing approaches hinders their applications in realistic chemistry problems. Here we report a development of NN-VMC that achieves a remarkable speed-up rate, thereby greatly extending the applicability of NN-VMC to larger systems.
Towards the ground state of molecules via diffusion Monte Carlo on neural networks - Nature Communications
Abstract Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. However, the inaccurate nodal structure hinders the application of DMC for more challenging electronic correlation problems.
Efficient Quantum Imaginary Time Evolution by Drifting Real-Time Evolution: An Approach with Low Gate and Measurement Complexity
Quantum imaginary time evolution (QITE) is one of the promising candidates for finding the eigenvalues and eigenstates of a Hamiltonian on a quantum computer. However, the original proposal suffers from large circuit depth and measurements due to the size of the Pauli operator pool and Trotterization. To alleviate the requirement for deep circuits, we propose a time-dependent drifting scheme inspired by the qDRIFT algorithm [Campbell, E. Phys. Rev. Lett. 2019, 123, 070503].
Entropy-based Log Redaction for Apache Spark on Databricks - The Databricks Blog
This blog post is part of our series of internal engineering blogs on Databricks platform, infrastructure management, tooling, monitoring, and provisioning. We love logs at Databricks. And we want to provide users the best experience to access Apache Spark logs. On Databricks, Spark logs are available via built-in Spark UI for clusters. Databricks also supports delivering cluster logs to customers’ chosen destination.
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