"molecule design" Papers

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Remasking Discrete Diffusion Models with Inference-Time Scaling

Guanghan Wang, Yair Schiff, Subham Sahoo et al.

NEURIPS 2025arXiv:2503.00307
90
citations

Training-Free Guidance Beyond Differentiability: Scalable Path Steering with Tree Search in Diffusion and Flow Models

Yingqing Guo, Yukang Yang, Hui Yuan et al.

NEURIPS 2025arXiv:2502.11420
12
citations