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Author

Yi-Bin Jiang

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Open access Sep 2026

Chemistry-informed Bayesian control and policy distillation for autonomous pH adjustment in diverse chemical systems

Adjusting pH of an arbitrary solution to a specified target remains difficult to automate when buffering behavior is unknown, nonlinear, and composition-dependent. We formulate pH adjustment as a sequential inference-and-control problem and develop a chemistry-informed Particle Filtering (PF) Bayesian controller that u...

Si-Yuan Zhang, Lin Huang, Tian-Ci Shi et al. · 0 citations
Aug 2026

Improving Quantum-Chemical Prediction of 19F NMR Chemical Shifts via Machine Learning.

A machine-learning-assisted framework to improve quantum-chemical prediction of 19F NMR chemical shifts by using machine learning to diagnose and correct subset-dependent limitations in the shielding-shift relationship within a practical quantum-chemical workflow is developed.

Dong-Dong Chen, Yuan-Xiang Ye, Yi-Jie Zhu et al. · 0 citations

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