English
Related papers

Related papers: ChemDFM-X: Towards Large Multimodal Model for Chem…

200 papers

General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning…

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature…

Information Retrieval · Computer Science 2025-07-01 Kexin Chen , Yuyang Du , Junyou Li , Hanqun Cao , Menghao Guo , Xilin Dang , Lanqing Li , Jiezhong Qiu , Pheng Ann Heng , Guangyong Chen

The development of chemical engineering technology is a multi-stage process that encompasses laboratory research, scaling up, and industrial deployment. This process demands interdisciplinary col laboration and typically incurs significant…

Chemical Physics · Physics 2025-09-10 Heng Zhang , Jibin Zhou , Feiyang Xu , Jian Cui , Yi Li , Fan Yang , Hao Wang , Xin Li , Mao Ye

With the rapid advancement of multimodal large language models (MLLMs), models have demonstrated increasingly powerful multimodal capabilities. However, whether MLLMs trained through statistical learning can truly understand the causal…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Junzhe Zhang , Huixuan Zhang , Guirong Wang , Xingyao Zhang , Pei Liu , Lin Qu , Hu Wei , Xiaojun Wan

Multimodal scientific reasoning remains a significant challenge for large language models (LLMs), particularly in chemistry, where problem-solving relies on symbolic diagrams, molecular structures, and structured visual data. Here, we…

Computation and Language · Computer Science 2025-12-18 Yiming Cui , Xin Yao , Yuxuan Qin , Xin Li , Shijin Wang , Guoping Hu

Generative models have revolutionized Artificial Intelligence (AI), particularly in multimodal applications. However, adapting these models to the medical domain poses unique challenges due to the complexity of medical data and the…

Computer Vision and Pattern Recognition · Computer Science 2026-02-16 Daniele Molino , Francesco di Feola , Linlin Shen , Paolo Soda , Valerio Guarrasi

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

Recently, there has been a significant upsurge of interest in leveraging large language models (LLMs) to assist scientific discovery. However, most LLMs only focus on general science, while they lack domain-specific knowledge, such as…

Computation and Language · Computer Science 2024-11-13 Liangtai Sun , Danyu Luo , Da Ma , Zihan Zhao , Baocai Chen , Zhennan Shen , Su Zhu , Lu Chen , Xin Chen , Kai Yu

Large language models (LLMs) have obtained promising results in mathematical reasoning, which is a foundational skill for human intelligence. Most previous studies focus on improving and measuring the performance of LLMs based on textual…

Computation and Language · Computer Science 2024-11-04 Wentao Liu , Qianjun Pan , Yi Zhang , Zhuo Liu , Ji Wu , Jie Zhou , Aimin Zhou , Qin Chen , Bo Jiang , Liang He

Chemical reasoning inherently integrates visual, textual, and symbolic modalities, yet existing benchmarks rarely capture this complexity, often relying on simple image-text pairs with limited chemical semantics. As a result, the actual…

Artificial Intelligence · Computer Science 2025-11-25 Zhiyuan Huang , Baichuan Yang , Zikun He , Yanhong Wu , Fang Hongyu , Zhenhe Liu , Lin Dongsheng , Bing Su

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…

Artificial Intelligence · Computer Science 2026-03-09 Yufan Chen , Ching Ting Leung , Bowen Yu , Jianwei Sun , Yong Huang , Linyan Li , Hao Chen , Hanyu Gao

Large Multi-modal Models (LMMs) have made impressive progress in many vision-language tasks. Nevertheless, the performance of general LMMs in specific domains is still far from satisfactory. This paper proposes FoodLMM, a versatile food…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Yuehao Yin , Huiyan Qi , Bin Zhu , Jingjing Chen , Yu-Gang Jiang , Chong-Wah Ngo

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical…

Computational Engineering, Finance, and Science · Computer Science 2025-10-23 Weida Wang , Benteng Chen , Di Zhang , Wanhao Liu , Shuchen Pu , Ben Gao , Jin Zeng , Xiaoyong Wei , Tianshu Yu , Shuzhou Sun , Tianfan Fu , Wanli Ouyang , Lei Bai , Jiatong Li , Zifu Wang , Yuqiang Li , Shufei Zhang

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

There is a growing interest in the role that LLMs play in chemistry which lead to an increased focus on the development of LLMs benchmarks tailored to chemical domains to assess the performance of LLMs across a spectrum of chemical tasks…

Foundation models have shown remarkable success across scientific domains, yet their impact in chemistry remains limited due to the absence of diverse, large-scale, high-quality datasets that reflect the field's multifaceted nature. We…

Recently, large language models (LLMs) have gained significant attention for their ability to generate fast and accurate answer to the given query. These models have evolved into large multimodal models (LMMs), which can interpret and…

Information Theory · Computer Science 2026-01-13 Sunwoo Kim , Byonghyo Shim

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to…

Computation and Language · Computer Science 2023-12-29 Taicheng Guo , Kehan Guo , Bozhao Nan , Zhenwen Liang , Zhichun Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang