4 papers
Early warning prediction: Onsager-Machlup vs Schrödinger
Xiaoai Xu, Yixuan Zhou, Xiang Zhou +2
Predicting critical transitions in complex systems, such as epileptic seizures in the brain, represents a major challenge in scientific research. The high-dimensional characteristi…
ChemBOMAS: Accelerated BO in Chemistry with LLM-Enhanced Multi-Agent System
Dong Han, Zhehong Ai, Pengxiang Cai +16
Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Her…
Super-fast Rates of Convergence for Neural Network Classifiers under the Hard Margin Condition
Nathanael Tepakbong, Xiang Zhou, Ding-Xuan Zhou
We study the classical binary classification problem for hypothesis spaces of Deep Neural Networks (DNNs) under Tsybakov's low-noise condition with exponent , as well as its l…
Iterative Proximal-Minimization for Computing Saddle Points with Fixed Index
Shuting Gu, Hao Zhang, Xiaoqun Zhang +1
Computing saddle points with a prescribed Morse index on potential energy surfaces is crucial for characterizing transition states for nosie-induced rare transition events in physi…