4 citations · 11 across the 7 of their papers we have counts for
9 papers
Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery
Mingze Li, Yu Rong, Songyou Li +16
Artificial intelligence has accelerated materials discovery through high-throughput prediction and generation, yet the decision problem remains a formidable bottleneck. While curre…
From Macro to Micro: Benchmarking Microscopic Spatial Intelligence on Molecules via Vision-Language Models
Zongzhao Li, Xiangzhe Kong, Jiahui Su +8
This paper introduces the concept of Microscopic Spatial Intelligence (MiSI), the capability to perceive and reason about the spatial relationships of invisible microscopic entitie…
Universally Invariant Learning in Equivariant GNNs
Jiacheng Cen, Anyi Li, Ning Lin +5
Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property…
ReasonMed: A 370K Multi-Agent Generated Dataset for Advancing Medical Reasoning
Yu Sun, Xingyu Qian, Weiwen Xu +8
Reasoning-based large language models have excelled in mathematics and programming, yet their potential in knowledge-intensive medical question answering remains underexplored and…
STAR-R1: Spatial TrAnsformation Reasoning by Reinforcing Multimodal LLMs
Zongzhao Li, Zongyang Ma, Mingze Li +6
Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities across diverse tasks, yet they lag significantly behind humans in spatial reasoning. We investiga…
Large Language-Geometry Model: When LLM meets Equivariance
Zongzhao Li, Jiacheng Cen, Bing Su +4
Accurately predicting 3D structures and dynamics of physical systems is crucial in scientific applications. Existing approaches that rely on geometric Graph Neural Networks (GNNs)…
A Survey of Graph Transformers: Architectures, Theories and Applications
Chaohao Yuan, Kangfei Zhao, Ercan Engin Kuruoglu +6
Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-sm…
Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics
Liming Wu, Zhichao Hou, Jirui Yuan +2
Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulat…
Annotation-guided Protein Design with Multi-Level Domain Alignment
Chaohao Yuan, Songyou Li, Geyan Ye +6
The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions. Current models explore to generate prote…