10 citations · 20 across the 7 of their papers we have counts for
7 papers
Knowledge-Augmented Long-CoT Generation for Complex Biomolecular Reasoning
Tianwen Lyu, Xiang Zhuang, Keyan Ding +5
Understanding complex biomolecular mechanisms requires multi-step reasoning across molecular interactions, signaling cascades, and metabolic pathways. While large language models(L…
Breaking the Modality Barrier: Generative Modeling for Accurate Molecule Retrieval from Mass Spectra
Yiwen Zhang, Keyan Ding, Yihang Wu +4
Retrieving molecular structures from tandem mass spectra is a crucial step in rapid compound identification. Existing retrieval methods, such as traditional mass spectral library m…
From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery
Jiaqi Wei, Yuejin Yang, Xiang Zhang +24
Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pi…
Boosting LLM's Molecular Structure Elucidation with Knowledge Enhanced Tree Search Reasoning
Xiang Zhuang, Bin Wu, Jiyu Cui +6
Molecular structure elucidation involves deducing a molecule's structure from various types of spectral data, which is crucial in chemical experimental analysis. While large langua…
SciKnowEval: Evaluating Multi-level Scientific Knowledge of Large Language Models
Kehua Feng, Xinyi Shen, Weijie Wang +4
Large language models (LLMs) are playing an increasingly important role in scientific research, yet there remains a lack of comprehensive benchmarks to evaluate the breadth and dep…
Graph Sampling-based Meta-Learning for Molecular Property Prediction
Xiang Zhuang, Qiang Zhang, Bin Wu +3
Molecular property is usually observed with a limited number of samples, and researchers have considered property prediction as a few-shot problem. One important fact that has been…