4 papers
Optimal Control Theoretic Neural Optimizer: From Backpropagation to Dynamic Programming
Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou
Optimization of deep neural networks (DNNs) has been a driving force in the advancement of modern machine learning and artificial intelligence. With DNNs characterized by a prolong…
Trivialized Momentum Facilitates Diffusion Generative Modeling on Lie Groups
Yuchen Zhu, Tianrong Chen, Lingkai Kong +2
The generative modeling of data on manifolds is an important task, for which diffusion models in flat spaces typically need nontrivial adaptations. This article demonstrates how a…
Deep Generalized Schrödinger Bridges: From Image Generation to Solving Mean-Field Games
Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou
Generalized Schrödinger Bridges (GSBs) are a fundamental mathematical framework used to analyze the most likely particle evolution based on the principle of least action including…
React-OT: Optimal Transport for Generating Transition State in Chemical Reactions
Chenru Duan, Guan-Horng Liu, Yuanqi Du +6
Transition states (TSs) are transient structures that are key in understanding reaction mechanisms and designing catalysts but challenging to be captured in experiments. Alternativ…