1 citations · 2 across the 8 of their papers we have counts for
8 papers
Monkey King Bang: A Unified Scientific Multimodal Foundation Model
Hesen Chen, Xinyu Su, Xiaomeng Yang +11
Scientific discovery is increasingly shifting from isolated disciplines to multi-domain reasoning, and AI for science faces a similar transition. Existing systems are either specia…
Nested Spatio-Temporal Time Series Forecasting
Yinghao Ai, Yukai Zhou, Ruoxi Jiang +8
Spatiotemporal forecasting is critical for real-world applications like traffic management, yet capturing reliable interactions remains challenging under noisy and non-stationary c…
Suiren-1.0 Technical Report: A Family of Molecular Foundation Models
Junyi An, Xinyu Lu, Yun-Fei Shi +5
We introduce Suiren-1.0, a family of molecular foundation models for the accurate modeling of diverse organic systems. Suiren-1.0 comprising three specialized variants (Suiren-Base…
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…
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…
An Open Quantum Chemistry Property Database of 120 Kilo Molecules with 20 Million Conformers
Weiqi Liu, Xi Ai, Zhijian Zhou +7
Artificial intelligence is revolutionizing computational chemistry, bringing unprecedented innovation and efficiency to the field. To further advance research and expedite progress…