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The increasing demand for intelligent systems capable of interpreting and reasoning about visual content requires the development of large Vision-and-Language Models (VLMs) that are not only accurate but also have explicit reasoning…

Computer Vision and Pattern Recognition · Computer Science 2024-07-19 Kohei Uehara , Nabarun Goswami , Hanqin Wang , Toshiaki Baba , Kohtaro Tanaka , Tomohiro Hashimoto , Kai Wang , Rei Ito , Takagi Naoya , Ryo Umagami , Yingyi Wen , Tanachai Anakewat , Tatsuya Harada

Scientific reasoning is a key aspect of human intelligence, requiring the integration of multimodal inputs, domain expertise, and multi-step inference across various subjects. Existing benchmarks for multimodal large language models (MLLMs)…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Longteng Guo , Xuanxu Lin , Dongze Hao , Tongtian Yue , Pengkang Huo , Jiatong Ma , Yuchen Liu , Jing Liu

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Large Language Models (LLMs) encounter challenges with the unique syntax of specific domains, such as biomolecules. Existing fine-tuning or modality alignment techniques struggle to bridge the domain knowledge gap and understand complex…

Biomolecules · Quantitative Biology 2024-06-28 Jinzhe Liu , Xiangsheng Huang , Zhuo Chen , Yin Fang

Recent advancements in Vision-Language (VL) research have sparked new benchmarks for complex visual reasoning, challenging models' advanced reasoning ability. Traditional Vision-Language Models (VLMs) perform well in visual perception tasks…

Computer Vision and Pattern Recognition · Computer Science 2024-09-24 Zhiyuan Li , Dongnan Liu , Chaoyi Zhang , Heng Wang , Tengfei Xue , Weidong Cai

Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) have made significant advancements in reasoning capabilities. However, they still face challenges such as high computational demands and privacy concerns. This paper…

Upgrades to advanced scientific user facilities such as next-generation x-ray light sources, nanoscience centers, and neutron facilities are revolutionizing our understanding of materials across the spectrum of the physical sciences, from…

Computational Engineering, Finance, and Science · Computer Science 2023-12-05 Michael H. Prince , Henry Chan , Aikaterini Vriza , Tao Zhou , Varuni K. Sastry , Matthew T. Dearing , Ross J. Harder , Rama K. Vasudevan , Mathew J. Cherukara

By design, large language models (LLMs) are static general-purpose models, expensive to retrain or update frequently. As they are increasingly adopted for knowledge-intensive tasks, it becomes evident that these design choices lead to…

Computation and Language · Computer Science 2024-03-25 Shangbin Feng , Weijia Shi , Yuyang Bai , Vidhisha Balachandran , Tianxing He , Yulia Tsvetkov

Large language models have emerged as transformative tools in molecular science, demonstrating remarkable potential in molecular property prediction and de novo molecular design. However, their application to spectroscopy remains notably…

Machine Learning · Computer Science 2026-03-24 Shuaike Shen , Jiaqing Xie , Zhuo Yang , Antong Zhang , Shuzhou Sun , Ben Gao , Tianfan Fu , Biqing Qi , Yuqiang Li

Large Language Models (LLMs) have rapidly transformed the landscape of artificial intelligence, enabling natural language interfaces and dynamic orchestration of software components. However, their reliance on probabilistic inference limits…

Machine Learning · Computer Science 2025-07-01 Claudionor Coelho , Yanen Li , Philip Tee

Recent advancements in large language models (LLMs) have demonstrated strong potential for enabling domain-specific intelligence. In this work, we present our vision for building an AI-powered chemical brain, which frames chemical…

Artificial Intelligence · Computer Science 2026-01-12 Weichen Dai , Yezeng Chen , Zijie Dai , Yubo Liu , Zhijie Huang , Yixuan Pan , Baiyang Song , Chengli Zhong , Xinhe Li , Zeyu Wang , Zhuoying Feng , Yi Zhou

Retrieval-Augmented Generation (RAG) has been shown to enhance the factual accuracy of Large Language Models (LLMs), but existing methods often suffer from limited reasoning capabilities in effectively using the retrieved evidence,…

Computation and Language · Computer Science 2024-10-03 Shayekh Bin Islam , Md Asib Rahman , K S M Tozammel Hossain , Enamul Hoque , Shafiq Joty , Md Rizwan Parvez

Large language models (LLMs) have shown remarkable promise but remain challenging to continually improve through traditional finetuning, particularly when integrating capabilities from other specialized LLMs. Popular methods like ensemble…

Computation and Language · Computer Science 2025-06-02 Zhenglun Kong , Zheng Zhan , Shiyue Hou , Yifan Gong , Xin Meng , Pengwei Sui , Peiyan Dong , Xuan Shen , Zifeng Wang , Pu Zhao , Hao Tang , Stratis Ioannidis , Yanzhi Wang

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations,…

Omni-modal reasoning is essential for intelligent systems to understand and draw inferences from diverse data sources. While existing omni-modal large language models (OLLM) excel at perceiving diverse modalities, they lack the complex…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yiran Guan , Sifan Tu , Dingkang Liang , Linghao Zhu , Jianzhong Ju , Zhenbo Luo , Jian Luan , Yuliang Liu , Xiang Bai

In recent years, large language models (LLMs) have driven major advances in language understanding, marking a significant step toward artificial general intelligence (AGI). With increasing demands for higher-level semantics and cross-modal…

Computation and Language · Computer Science 2025-09-30 Yuntao Shou , Tao Meng , Wei Ai , Keqin Li

While recent large language models (LLMs) improve on various question answering (QA) datasets, it remains difficult for a single model to generalize across question types that require distinct reasoning abilities. We provide empirical…

Computation and Language · Computer Science 2023-10-23 Chenglei Si , Weijia Shi , Chen Zhao , Luke Zettlemoyer , Jordan Boyd-Graber

Large language models (LLMs) demonstrate superior reasoning capabilities compared to small language models (SLMs), but incur substantially higher costs. We propose COllaborative REAsoner (COREA), a system that cascades an SLM with an LLM to…

Computation and Language · Computer Science 2026-03-05 Chuang Zhang , Zizhen Zhu , Yihao Wei , Bing Tian , Junyi Liu , Henan Wang , Xavier Wang , Yaxiao Liu

Large language models (LLMs) for code have become indispensable in various domains, including code generation, reasoning tasks and agent systems. While open-access code LLMs are increasingly approaching the performance levels of proprietary…

Large Language Models (LLMs) have demonstrated remarkable potential in advancing scientific knowledge and addressing complex challenges. In this work, we introduce OmniScience, a specialized large reasoning model for general science,…

Artificial Intelligence · Computer Science 2025-04-24 Vignesh Prabhakar , Md Amirul Islam , Adam Atanas , Yao-Ting Wang , Joah Han , Aastha Jhunjhunwala , Rucha Apte , Robert Clark , Kang Xu , Zihan Wang , Kai Liu