93 citations · 246 across the 42 of their papers we have counts for
9 papers · 1 filter
SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy
Zhuo Yang, Jiaqing Xie, Shuaike Shen +13
Deep learning holds immense promise for spectroscopy, yet research and evaluation in this emerging field often lack standardized formulations. To address this issue, we introduce S…
ChemBOMAS: Accelerated BO in Chemistry with LLM-Enhanced Multi-Agent System
Dong Han, Zhehong Ai, Pengxiang Cai +16
Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Her…
CMPhysBench: A Benchmark for Evaluating Large Language Models in Condensed Matter Physics
Weida Wang, Dongchen Huang, Jiatong Li +32
We introduce CMPhysBench, designed to assess the proficiency of Large Language Models (LLMs) in Condensed Matter Physics, as a novel Benchmark. CMPhysBench is composed of more than…
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…
SynBrain: Enhancing Visual-to-fMRI Synthesis via Probabilistic Representation Learning
Weijian Mai, Jiamin Wu, Yu Zhu +6
Deciphering how visual stimuli are transformed into cortical responses is a fundamental challenge in computational neuroscience. This visual-to-neural mapping is inherently a one-t…
Multimodal-Guided Dynamic Dataset Pruning for Robust and Efficient Data-Centric Learning
Suorong Yang, Peijia Li, Yujie Liu +5
Modern deep models are trained on large real-world datasets, where data quality varies and redundancy is common. Data-centric approaches such as dataset pruning have shown promise…
CheMatAgent: Enhancing LLMs for Chemistry and Materials Science through Tree-Search Based Tool Learning
Mengsong Wu, YaFei Wang, Yidong Ming +7
Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the diffic…
ChemMLLM: Chemical Multimodal Large Language Model
Qian Tan, Di Zhang, Dongzhan Zhou +8
Recent years have seen rapid progress in multimodal large language models (MLLMs) in the field of chemistry. However, chemical MLLMs that can handle cross-modal understanding and g…
ChemVLM: Exploring the Power of Multimodal Large Language Models in Chemistry Area
Junxian Li, Di Zhang, Xunzhi Wang +16
Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the…