131 citations · 179 across the 26 of their papers we have counts for
5 papers · 1 filter
The Superposition of Diffusion Models Using the Itô Density Estimator
Marta Skreta, Lazar Atanackovic, Avishek Joey Bose +2
The Cambrian explosion of easily accessible pre-trained diffusion models suggests a demand for methods that combine multiple different pre-trained diffusion models without incurrin…
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
Yuanqi Du, Michael Plainer, Rob Brekelmans +5
Rare event sampling in dynamical systems is a fundamental problem arising in the natural sciences, which poses significant computational challenges due to an exponentially large sp…
Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold
Lazar Atanackovic, Xi Zhang, Brandon Amos +5
Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical p…
Efficient Evolutionary Search Over Chemical Space with Large Language Models
Haorui Wang, Marta Skreta, Cher-Tian Ser +11
Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutiona…
Diffusion Models as Constrained Samplers for Optimization with Unknown Constraints
Lingkai Kong, Yuanqi Du, Wenhao Mu +8
Addressing real-world optimization problems becomes particularly challenging when analytic objective functions or constraints are unavailable. While numerous studies have addressed…