1.8k citations · 6.4k across the 42 of their papers we have counts for
45 papers
A First-Principles Theory of Slow Thinking and Active Perception
Hongkang Yang, Zhi-Qin John Xu, Feiyu Xiong +1
As part of a series on first-principles modeling of cognitive functions, this paper attempts to provide a mathematical formulation of thinking and perception. It formally derives s…
Mixture of experts architectures for machine learning interatomic potentials
Yuzhi Liu, Duo Zhang, Anyang Peng +3
Machine Learning Interatomic Potentials (MLIPs) enable accurate large-scale atomistic simulations, yet improving their expressive capacity efficiently remains challenging. Here we…
TeachMaster: Generative Teaching via Code
Yuheng Wang, Runde Yang, Lin Wu +9
The scalability of high-quality online education is hindered by the high costs and slow cycles of manual content creation. Despite advancements in video generation, current approac…
NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization
Yongqi Jin, Jun-Jie Wang, Fanjie Xu +6
Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretatio…
LAMBench: A Benchmark for Large Atomistic Models
Anyang Peng, Chun Cai, Mingyu Guo +9
Large Atomistic Models (LAMs) have undergone remarkable progress recently, emerging as universal or fundamental representations of the potential energy surface defined by the first…
RARE: Retrieval-Augmented Reasoning Modeling
Zhengren Wang, Jiayang Yu, Dongsheng Ma +8
Domain-specific intelligence demands specialized knowledge and sophisticated reasoning for problem-solving, posing significant challenges for large language models (LLMs) that stru…