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04/09/2023
A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion
The atomic cluster expansion (ACE) (Drautz, 2019) yields a highly effici...
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03/19/2023
Provable Convergence of Variational Monte Carlo Methods
The Variational Monte Carlo (VMC) is a promising approach for computing ...
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02/17/2023
High-frequency Matters: An Overwriting Attack and defense for Image-processing Neural Network Watermarking
In recent years, there has been significant advancement in the field of ...
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04/15/2022
Convergence of the Discrete Minimum Energy Path
The minimum energy path (MEP) describes the mechanism of reaction, and t...
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04/03/2022
Convergence of the Planewave Approximations for Quantum Incommensurate Systems
Incommensurate structures come from stacking the single layers of low-di...
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04/03/2022
Stability of the Minimum Energy Path
The minimum energy path (MEP) is the most probable transition path that ...
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03/22/2022
Making DeepFakes more spurious: evading deep face forgery detection via trace removal attack
DeepFakes are raising significant social concerns. Although various Deep...
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11/14/2021
Numerical Analysis of the Multiple Scattering Theory for Electronic Structure Calculations
The multiple scattering theory (MST) is one of the most widely used meth...
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06/28/2021
QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned Interatomic Potentials
We develop and analyze a framework for consistent QM/MM (quantum/classic...
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10/06/2020
A Multi-Task Incremental Learning Framework with Category Name Embedding for Aspect-Category Sentiment Analysis
(T)ACSA tasks, including aspect-category sentiment analysis (ACSA) and t...
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07/10/2020
A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods
Hybrid quantum/molecular mechanics models (QM/MM methods) are widely use...
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08/30/2019