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Large Language Models (LLMs) have shown growing potential in molecular sciences, but they often produce chemically inaccurate descriptions and struggle to recognize or justify potential errors. This raises important concerns about their…

Chemical Physics · Physics 2025-10-29 Yuyang Wu , Jinhui Ye , Shuhao Zhang , Lu Dai , Yonatan Bisk , Olexandr Isayev

The biomedical field relies heavily on concept linking in various areas such as literature mining, graph alignment, information retrieval, question-answering, data, and knowledge integration. Although large language models (LLMs) have made…

Computation and Language · Computer Science 2023-07-04 Qinyong Wang , Zhenxiang Gao , Rong Xu

As LLMs have become increasingly popular, they have been used in almost every field. But as the application for LLMs expands from generic fields to narrow, focused science domains, there exists an ever-increasing gap in ways to evaluate…

Computation and Language · Computer Science 2023-10-18 Anurag Acharya , Sai Munikoti , Aaron Hellinger , Sara Smith , Sridevi Wagle , Sameera Horawalavithana

The evaluation of machine-generated image captions is a complex and evolving challenge. With the advent of Multimodal Large Language Models (MLLMs), image captioning has become a core task, increasing the need for robust and reliable…

Computer Vision and Pattern Recognition · Computer Science 2025-06-02 Sara Sarto , Marcella Cornia , Rita Cucchiara

The task of image captioning demands an algorithm to generate natural language descriptions of visual inputs. Recent advancements have seen a convergence between image captioning research and the development of Large Language Models (LLMs)…

Computer Vision and Pattern Recognition · Computer Science 2024-12-06 Davide Bucciarelli , Nicholas Moratelli , Marcella Cornia , Lorenzo Baraldi , Rita Cucchiara

In this study, we focus on the automatic evaluation of long and detailed image captions generated by multimodal Large Language Models (MLLMs). Most existing automatic evaluation metrics for image captioning are primarily designed for short…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Kazuki Matsuda , Yuiga Wada , Shinnosuke Hirano , Seitaro Otsuki , Komei Sugiura

Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) have ushered in a new era of AI capabilities, demonstrating near-human-level performance across diverse scenarios. While numerous benchmarks (e.g., MMLU) and…

Artificial Intelligence · Computer Science 2025-09-03 Kangyu Wang , Hongliang He , Lin Liu , Ruiqi Liang , Zhenzhong Lan , Jianguo Li

Large language models (LLMs) are becoming increasingly capable mathematical collaborators, but static benchmarks are no longer sufficient for evaluating progress: they are often narrow in scope, quickly saturated, and rarely updated. This…

Computation and Language · Computer Science 2026-05-18 Jasper Dekoninck , Nikola Jovanović , Tim Gehrunger , Kári Rögnvaldsson , Ivo Petrov , Chenhao Sun , Martin Vechev

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

Natural Language Processing (NLP) is witnessing a remarkable breakthrough driven by the success of Large Language Models (LLMs). LLMs have gained significant attention across academia and industry for their versatile applications in text…

Computation and Language · Computer Science 2024-04-16 Taojun Hu , Xiao-Hua Zhou

The ability to understand causality significantly impacts the competence of large language models (LLMs) in output explanation and counterfactual reasoning, as causality reveals the underlying data distribution. However, the lack of a…

Machine Learning · Computer Science 2024-09-30 Yu Zhou , Xingyu Wu , Beicheng Huang , Jibin Wu , Liang Feng , Kay Chen Tan

The rapid evolution of Multi-modality Large Language Models (MLLMs) has catalyzed a shift in computer vision from specialized models to general-purpose foundation models. Nevertheless, there is still an inadequacy in assessing the abilities…

Computer Vision and Pattern Recognition · Computer Science 2024-01-02 Haoning Wu , Zicheng Zhang , Erli Zhang , Chaofeng Chen , Liang Liao , Annan Wang , Chunyi Li , Wenxiu Sun , Qiong Yan , Guangtao Zhai , Weisi Lin

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Existing long-context benchmarks for Large Language Models (LLMs) focus on evaluating comprehension of long inputs, while overlooking the evaluation of long reasoning abilities. To address this gap, we introduce LongReasonArena, a benchmark…

Computation and Language · Computer Science 2025-08-28 Jiayu Ding , Shuming Ma , Lei Cui , Nanning Zheng , Furu Wei

The advent of Large Language Models (LLMs) holds promise for revolutionizing various fields traditionally dominated by human expertise. Urban planning, a professional discipline that fundamentally shapes our daily surroundings, is one such…

Computation and Language · Computer Science 2025-05-01 Yu Zheng , Longyi Liu , Yuming Lin , Jie Feng , Guozhen Zhang , Depeng Jin , Yong Li

Large language models have made remarkable progress in the field of molecular science, particularly in understanding and generating functional small molecules. This success is largely attributed to the effectiveness of molecular…

Biomolecules · Quantitative Biology 2025-03-14 Zicheng Ma , Chuanliu Fan , Zhicong Wang , Zhenyu Chen , Xiaohan Lin , Yanheng Li , Shihao Feng , Jun Zhang , Ziqiang Cao , Yi Qin Gao

While large language models (LLMs) have demonstrated impressive capabilities across various natural language processing tasks by acquiring rich factual knowledge from their broad training data, their ability to synthesize and logically…

Computation and Language · Computer Science 2024-07-31 Tianshi Zheng , Jiaxin Bai , Yicheng Wang , Tianqing Fang , Yue Guo , Yauwai Yim , Yangqiu Song

The rise of Multimodal Large Language Models (MLLMs) has become a transformative force in the field of artificial intelligence, enabling machines to process and generate content across multiple modalities, such as text, images, audio, and…

Computation and Language · Computer Science 2025-12-09 Ming Li , Keyu Chen , Ziqian Bi , Ming Liu , Xinyuan Song , Zekun Jiang , Tianyang Wang , Benji Peng , Qian Niu , Junyu Liu , Jinlang Wang , Sen Zhang , Xuanhe Pan , Jiawei Xu , Pohsun Feng

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…

Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal…

Computation and Language · Computer Science 2025-03-10 Sumin Ha , Jun Hyeong Kim , Yinhua Piao , Sun Kim
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