Bo Han
Publications
Reflective Flow Sampling Enhancement
The growing demand for text-to-image generation has led to rapid advances in generative modeling. Recently, text-to-image diffusion models trained with flow matching algorithms, such as FLUX, have achieved remarkable progress and emerged as strong alternatives to conventional diffusion models. At the same time, inference-time enhancement strategies have been shown to improve the generation quality and text-prompt alignment of text-to-image diffusion models. However, these techniques are mainly applicable to conventional diffusion models and usually fail to perform well on flow models. To bridge this gap, we propose Reflective Flow Sampling (RF-Sampling), a theoretically-grounded and training-free inference enhancement framework explicitly designed for flow models, especially for the CFG-distilled variants (i.e., models distilled from CFG guidance techniques), like FLUX. Departing from heuristic interpretations, we provide a formal derivation proving that RF-Sampling implicitly performs gradient ascent on the text-image alignment score. By leveraging a linear combination of textual representations and integrating them with flow inversion, RF-Sampling allows the model to explore noise spaces that are more consistent with the input prompt. Extensive experiments across multiple benchmarks demonstrate that RF-Sampling consistently improves both generation quality and prompt alignment. Moreover, RF-Sampling is also the first inference enhancement method that can exhibit test-time scaling ability to some extent on FLUX.
Reference-guided Policy Optimization for Molecular Optimization via LLM Reasoning
Large language models (LLMs) benefit substantially from supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR) in reasoning tasks. However, these recipes perform poorly in instruction-based molecular optimization, where each data point typically provides only a single optimized reference molecule and no step-by-step optimization trajectory. We reveal that answer-only SFT on the reference molecules collapses reasoning, and RLVR provides sparse feedback under similarity constraints due to the model's lack of effective exploration, which slows learning and limits optimization. To encourage the exploration of new molecules while balancing the exploitation of the reference molecules, we introduce Reference-guided Policy Optimization (RePO), an optimization approach that learns from reference molecules without requiring trajectory data. At each update, RePO samples candidate molecules with their intermediate reasoning trajectories from the model and trains the model using verifiable rewards that measure property satisfaction under similarity constraints in an RL manner. Meanwhile, it applies reference guidance by keeping the policy's intermediate reasoning trajectory as context and training only the answer in a supervised manner. Together, the RL term promotes exploration, while the guidance term mitigates reward sparsity and stabilizes training by grounding outputs to references when many valid molecular edits exist. Across molecular optimization benchmarks, RePO consistently outperforms SFT and RLVR baselines (e.g., GRPO), achieving improvements on the optimization metric (Success Rate $\times$ Similarity), improving balance across competing objectives, and generalizing better to unseen instruction styles. Our code is publicly available at https://github.com/tmlr-group/RePO.