5 papers
Momentum Multi-Marginal Schrödinger Bridge Matching
Panagiotis Theodoropoulos, Augustinos D. Saravanos, Evangelos A. Theodorou +1
Understanding complex systems by inferring trajectories from sparse sample snapshots is a fundamental challenge in a wide range of domains, e.g., single-cell biology, meteorology,…
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…
Feedback Schrödinger Bridge Matching
Panagiotis Theodoropoulos, Nikolaos Komianos, Vincent Pacelli +2
Recent advancements in diffusion bridges for distribution transport problems have heavily relied on matching frameworks, yet existing methods often face a trade-off between scalabi…
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…