5 citations · 15 across the 19 of their papers we have counts for
6 papers · 1 filter
Reasoning-Enhanced Large Language Models for Molecular Property Prediction
Jiaxi Zhuang, Yaorui Shi, Jue Hou +8
Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and…
Look Back to Reason Forward: Revisitable Memory for Long-Context LLM Agents
Yaorui Shi, Yuxin Chen, Siyuan Wang +5
Large language models face challenges in long-context question answering, where key evidence of a query may be dispersed across millions of tokens. Existing works equip large langu…
Search and Refine During Think: Facilitating Knowledge Refinement for Improved Retrieval-Augmented Reasoning
Yaorui Shi, Sihang Li, Chang Wu +5
Large language models have demonstrated impressive reasoning capabilities but are inherently limited by their knowledge reservoir. Retrieval-augmented reasoning mitigates this limi…
Language-Enhanced Representation Learning for Single-Cell Transcriptomics
Yaorui Shi, Jiaqi Yang, Changhao Nai +5
Single-cell RNA sequencing (scRNA-seq) offers detailed insights into cellular heterogeneity. Recent advancements leverage single-cell large language models (scLLMs) for effective r…
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation
Zhiyuan Liu, Yanchen Luo, Han Huang +7
3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers,…
Intelligent System for Automated Molecular Patent Infringement Assessment
Yaorui Shi, Sihang Li, Taiyan Zhang +12
Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven pro…