Yuanqi Du

RNE: plug-and-play diffusion inference-time control and energy-based training

Accelerated Parallel Tempering via Neural Transports

CREPE: Controlling diffusion with REPlica Exchange

A unified perspective on fine-tuning and sampling with diffusion and flow models

Trust Region Constrained Measure Transport in Path Space for Stochastic Optimal Control and Inference

FEAT: Free energy Estimators with Adaptive Transport

Efficient Evolutionary Search Over Chemical Space with Large Language Models

Graph Generative Pre-trained Transformer

LLM-Augmented Chemical Synthesis and Design Decision Programs