From the 1 of 30 linked papers with an AI index.
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RetroMPA: A Molecular Property-Aware Auxiliary Framework for Enhancing Retrosynthesis Prediction
Mianzhi Liu, Fan Xiao, Zhiliang Yu +5
Retrosynthesis is a cornerstone of drug discovery and organic synthesis. While data-driven deep learning models have shown remarkable progress, they autonomously learn reaction pat…
Temporal Score Rescaling for Temperature Sampling in Diffusion and Flow Models
Yanbo Xu, Yu Wu, Sungjae Park +2
We present a mechanism to steer the sampling diversity of denoising diffusion and flow matching models, allowing users to sample from a sharper or broader distribution than the tra…
A Sampling-Based Domain Generalization Study with Diffusion Generative Models
Ye Zhu, Yu Wu, Duo Xu +3
In this work, we investigate the domain generalization capabilities of diffusion models in the context of synthesizing images that are distinct from the training data. Instead of f…
Rethinking the Intermediate Features in Adversarial Attacks: Misleading Robotic Models via Adversarial Distillation
Ke Zhao, Huayang Huang, Miao Li +1
Language-conditioned robotic learning has significantly enhanced robot adaptability by enabling a single model to execute diverse tasks in response to verbal commands. Despite thes…