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Related papers: ChemMLLM: Chemical Multimodal Large Language Model

200 papers

With the rapid advancement of Multimodal Large Language Models (MLLMs), a variety of benchmarks have been introduced to evaluate their capabilities. While most evaluations have focused on complex tasks such as scientific comprehension and…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Huan Liu , Lingyu Xiao , Jiangjiang Liu , Xiaofan Li , Ze Feng , Sen Yang , Jingdong Wang

Multimodal large language models (MLLMs) combine visual and textual data for tasks such as image captioning and visual question answering. Proper uncertainty calibration is crucial, yet challenging, for reliable use in areas like healthcare…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Zijun Chen , Wenbo Hu , Guande He , Zhijie Deng , Zheng Zhang , Richang Hong

The application of the Multi-modal Large Language Models (MLLMs) in medical clinical scenarios remains underexplored. Previous benchmarks only focus on the capacity of the MLLMs in medical visual question-answering (VQA) or report…

Computation and Language · Computer Science 2024-08-19 Hongcheng Liu , Yusheng Liao , Siqv Ou , Yuhao Wang , Heyang Liu , Yanfeng Wang , Yu Wang

Multimodal Large Language Models (MLLMs) have rapidly evolved with the growth of Large Language Models (LLMs) and are now applied in various fields. In finance, the integration of diverse modalities such as text, charts, and tables is…

Computation and Language · Computer Science 2025-06-17 Jiangtong Li , Yiyun Zhu , Dawei Cheng , Zhijun Ding , Changjun Jiang

Automated Machine Learning (AutoML) offers a promising approach to streamline the training of machine learning models. However, existing AutoML frameworks are often limited to unimodal scenarios and require extensive manual configuration.…

Machine Learning · Computer Science 2024-08-02 Daqin Luo , Chengjian Feng , Yuxuan Nong , Yiqing Shen

Multimodal Large Language Models (MLLMs) have achieved significant advances in integrating visual and linguistic information, yet their ability to reason about complex and real-world scenarios remains limited. The existing benchmarks are…

Language models (LMs) are machine learning models designed to predict linguistic patterns by estimating the probability of word sequences based on large-scale datasets, such as text. LMs have a wide range of applications in natural language…

Multimodal Affective Computing (MAC) aims to recognize and interpret human emotions by integrating information from diverse modalities such as text, video, and audio. Recent advancements in Multimodal Large Language Models (MLLMs) have…

Artificial Intelligence · Computer Science 2025-08-05 Miaosen Luo , Jiesen Long , Zequn Li , Yunying Yang , Yuncheng Jiang , Sijie Mai

Over the last decades, excellent computational chemistry tools have been developed. Integrating them into a single platform with enhanced accessibility could help reaching their full potential by overcoming steep learning curves. Recently,…

Chemical Physics · Physics 2023-10-03 Andres M Bran , Sam Cox , Oliver Schilter , Carlo Baldassari , Andrew D White , Philippe Schwaller

The rapid advancement of multimodal large language models (MLLMs) has significantly enhanced performance across benchmarks. However, data contamination-unintentional memorization of benchmark data during model training-poses critical…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Dingjie Song , Sicheng Lai , Mingxuan Wang , Shunian Chen , Lichao Sun , Benyou Wang

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative…

Artificial Intelligence · Computer Science 2025-11-05 Jiaqing Xie , Weida Wang , Ben Gao , Zhuo Yang , Haiyuan Wan , Shufei Zhang , Tianfan Fu , Yuqiang Li

Multimodal Large Models (MLMs) are becoming a significant research focus, combining powerful large language models with multimodal learning to perform complex tasks across different data modalities. This review explores the latest…

Machine Learning · Computer Science 2024-07-02 Xinji Mai , Zeng Tao , Junxiong Lin , Haoran Wang , Yang Chang , Yanlan Kang , Yan Wang , Wenqiang Zhang

Large Language Models(LLMs) have revolutionized text generation and multimodal perception,but their capabilities in 3D content generation remain underexplored. Existing methods compromise by producing either low-resolution meshes or coarse…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Junming Huang , Chi Wang , Letian Li , Guangkai Xu , Donglin Huang , Hao Chen , Qiang Dai , Weiwei Xu

Revolutionizing drug discovery demands more than just understanding molecular interactions - it requires generative models that can design novel ligands tailored to specific biological targets. While chemical Language Models (cLMs) have…

Large language models (LLMs) have undergone significant expansion and have been increasingly integrated across various domains. Notably, in the realm of robot task planning, LLMs harness their advanced reasoning and language comprehension…

Multimodal Large Language Models (MLLMs) demonstrate impressive problem-solving abilities across a wide range of tasks and domains. However, their capacity for face understanding has not been systematically studied. To address this gap, we…

Computer Vision and Pattern Recognition · Computer Science 2026-01-21 Kartik Narayan , Vibashan VS , Vishal M. Patel

We present WebMMU, a multilingual benchmark that evaluates three core web tasks: (1) website visual question answering, (2) code editing involving HTML/CSS/JavaScript, and (3) mockup-to-code generation. Unlike prior benchmarks that treat…

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…

Materials Science · Physics 2025-03-04 Onur Boyar , Indra Priyadarsini , Seiji Takeda , Lisa Hamada

Existing chemical understanding tasks primarily rely on static molecular representations, limiting their ability to model inherently dynamic phenomena such as bond breaking or conformational changes, which are essential for a chemist to…

Machine Learning · Computer Science 2026-03-13 Xinyu Li , Zhen Zhang , Qi Chen , Anton van den Hengel , Lina Yao , Javen Qinfeng Shi

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL…