no code implementations • 26 Dec 2024 • Haonan He, Yuchen Ren, Yining Tang, Ziyang Xu, Junxian Li, Minghao Yang, Di Zhang, Dong Yuan, Tao Chen, Shufei Zhang, Yuqiang Li, Nanqing Dong, Wanli Ouyang, Dongzhan Zhou, Peng Ye
Large language models have already demonstrated their formidable capabilities in general domains, ushering in a revolutionary transformation.
no code implementations • 22 Nov 2024 • Jiatong Li, Yunqing Liu, Wei Liu, Jingdi Le, Di Zhang, Wenqi Fan, Dongzhan Zhou, Yuqiang Li, Qing Li
Previous endeavours often treat the molecule as a general SMILES string or molecular graph, neglecting the fine-grained alignments between the molecular sub-structures and the descriptive textual phrases, which are crucial for accurate and explainable predictions.
no code implementations • arXiv preprint 2024 • Jiatong Li, Yunqing Liu, Wei Liu, Jingdi Lei, Di Zhang, Wenqi Fan, Dongzhan Zhou, Yuqiang Li, Qing Li
Previous endeavours often treat the molecule as a general SMILES string or molecular graph, neglecting the fine-grained alignments between the molecular sub-structures and the descriptive textual phrases, which are crucial for accurate and explainable predictions.
Ranked #1 on Molecule Captioning on ChEBI-20
no code implementations • 17 Oct 2024 • Kaipeng Zheng, Weiran Huang, Wanli Ouyang, Han-sen Zhong, Yuqiang Li
Atomic structure analysis of crystalline materials is a paramount endeavor in both chemical and material sciences.
1 code implementation • 9 Oct 2024 • Zonglin Yang, Wanhao Liu, Ben Gao, Tong Xie, Yuqiang Li, Wanli Ouyang, Soujanya Poria, Erik Cambria, Dongzhan Zhou
In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question?
1 code implementation • 3 Oct 2024 • Di Zhang, Jianbo Wu, Jingdi Lei, Tong Che, Jiatong Li, Tong Xie, Xiaoshui Huang, Shufei Zhang, Marco Pavone, Yuqiang Li, Wanli Ouyang, Dongzhan Zhou
This paper presents an advanced mathematical problem-solving framework, LLaMA-Berry, for enhancing the mathematical reasoning ability of Large Language Models (LLMs).
1 code implementation • 14 Aug 2024 • Junxian Li, Di Zhang, Xunzhi Wang, Zeying Hao, Jingdi Lei, Qian Tan, Cai Zhou, Wei Liu, Yaotian Yang, Xinrui Xiong, Weiyun Wang, Zhe Chen, Wenhai Wang, Wei Li, Shufei Zhang, Mao Su, Wanli Ouyang, Yuqiang Li, Dongzhan Zhou
We benchmark ChemVLM against a range of open-source and proprietary multimodal large language models on various tasks.
1 code implementation • 11 Jun 2024 • Di Zhang, Xiaoshui Huang, Dongzhan Zhou, Yuqiang Li, Wanli Ouyang
This paper introduces the MCT Self-Refine (MCTSr) algorithm, an innovative integration of Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS), designed to enhance performance in complex mathematical reasoning tasks.
no code implementations • 16 Apr 2024 • Ruifeng Li, Dongzhan Zhou, Ancheng Shen, Ao Zhang, Mao Su, Mingqian Li, Hongyang Chen, Gang Chen, Yin Zhang, Shufei Zhang, Yuqiang Li, Wanli Ouyang
Overall, our work illustrates the benefits and potential of using PEMAL in AIDD and other scenarios with data scarcity and noise.
1 code implementation • 7 Mar 2024 • Jiatong Li, Wei Liu, Zhihao Ding, Wenqi Fan, Yuqiang Li, Qing Li
Specifically, ICMA incorporates the following three stages: Hybrid Context Retrieval, Post-retrieval Re-ranking, and In-context Molecule Tuning.
1 code implementation • 10 Feb 2024 • Di Zhang, Wei Liu, Qian Tan, Jingdan Chen, Hang Yan, Yuliang Yan, Jiatong Li, Weiran Huang, Xiangyu Yue, Wanli Ouyang, Dongzhan Zhou, Shufei Zhang, Mao Su, Han-sen Zhong, Yuqiang Li
However, the community lacks an LLM specifically designed for chemistry.
no code implementations • 31 Jan 2023 • Yuqiang Li, Shengchen Li, George Fazekas
Results display a general phenomenon of over-fitting from two aspects, the pitch embedding space and the test loss of the single-token grid encoding.
no code implementations • 9 Jan 2023 • Fengyin Li, Yuqiang Li, Xianyi Wu
Reinforcement learning policy evaluation problems are often modeled as finite or discounted/averaged infinite-horizon MDPs.