10 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…
ChemAmp: Amplified Chemistry Tools via Composable Agents
Zhucong Li, Powei Chang, Jin Xiao +6
Although LLM-based agents are proven to master tool orchestration in scientific fields, particularly chemistry, their single-task performance remains limited by underlying tool con…
A Pre-trained Reaction Embedding Descriptor Capturing Bond Transformation Patterns
Weiqi Liu, Fenglei Cao, Yuan Qi +1
With the rise of data-driven reaction prediction models, effective reaction descriptors are crucial for bridging the gap between real-world chemistry and digital representations. H…