1 citations · 2 across the 13 of their papers we have counts for
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Equivariant Asynchronous Diffusion: An Adaptive Denoising Schedule for Accelerated Molecular Conformation Generation
Junyi An, Chao Qu, Yun-Fei Shi +3
Recent 3D molecular generation methods primarily use asynchronous auto-regressive or synchronous diffusion models. While auto-regressive models build molecules sequentially, they'r…
DyJR: Preserving Diversity in Reinforcement Learning with Verifiable Rewards via Dynamic Jensen-Shannon Replay
Long Li, Zhijian Zhou, Tianyi Wang +7
While Reinforcement Learning (RL) enhances Large Language Model reasoning, on-policy algorithms like GRPO are sample-inefficient as they discard past rollouts. Existing experience…
Unleashing Flow Policies with Distributional Critics
Deshu Chen, Yuchen Liu, Zhijian Zhou +2
Flow-based policies have recently emerged as a powerful tool in offline and offline-to-online reinforcement learning, capable of modeling the complex, multimodal behaviors found in…
Guiding Diffusion Models with Reinforcement Learning for Stable Molecule Generation
Zhijian Zhou, Junyi An, Zongkai Liu +5
Generating physically realistic 3D molecular structures remains a core challenge in molecular generative modeling. While diffusion models equipped with equivariant neural networks…
Equivariant Spherical Transformer for Efficient Molecular Modeling
Junyi An, Xinyu Lu, Chao Qu +6
Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, their message passing, hea…
Equivariant Masked Position Prediction for Efficient Molecular Representation
Junyi An, Chao Qu, Yun-Fei Shi +4
Graph neural networks (GNNs) have shown considerable promise in computational chemistry. However, the limited availability of molecular data raises concerns regarding GNNs' ability…