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Large language models are now integrated into many scientific workflows, accelerating data analysis, hypothesis generation, and design space exploration. In parallel with this growth, there is a growing need to carefully evaluate whether…

The rapid advancement of Multimodal Large Language Models (MLLMs) has been accompanied by the development of various benchmarks to evaluate their capabilities. However, the true nature of these evaluations and the extent to which they…

Computation and Language · Computer Science 2024-10-17 Botian Jiang , Lei Li , Xiaonan Li , Zhaowei Li , Xiachong Feng , Lingpeng Kong , Qi Liu , Xipeng Qiu

Large language models (LLMs) have achieved great success in many fields, and recent works have studied exploring LLMs for graph discriminative tasks such as node classification. However, the abilities of LLMs for graph generation remain…

Machine Learning · Computer Science 2024-03-22 Yang Yao , Xin Wang , Zeyang Zhang , Yijian Qin , Ziwei Zhang , Xu Chu , Yuekui Yang , Wenwu Zhu , Hong Mei

The evaluation of large language models (LLMs) via benchmarks is widespread, yet inconsistencies between different leaderboards and poor separability among top models raise concerns about their ability to accurately reflect authentic model…

Computation and Language · Computer Science 2026-01-19 Hongli Zhou , Hui Huang , Ziqing Zhao , Lvyuan Han , Huicheng Wang , Kehai Chen , Muyun Yang , Wei Bao , Jian Dong , Bing Xu , Conghui Zhu , Hailong Cao , Tiejun Zhao

Unlocking the potential of Large Language Models (LLMs) in data classification represents a promising frontier in natural language processing. In this work, we evaluate the performance of different LLMs in comparison with state-of-the-art…

Computation and Language · Computer Science 2025-01-16 Arina Kostina , Marios D. Dikaiakos , Dimosthenis Stefanidis , George Pallis

Leveraging large language models (LLMs) for various natural language processing tasks has led to superlative claims about their performance. For the evaluation of machine translation (MT), existing research shows that LLMs are able to…

Computation and Language · Computer Science 2024-10-10 Shenbin Qian , Archchana Sindhujan , Minnie Kabra , Diptesh Kanojia , Constantin Orăsan , Tharindu Ranasinghe , Frédéric Blain

Research in AI4Science has shown promise in many science applications, including polymer design. However, current LLMs are ineffective in this problem space because: (i) most models lack polymer-specific knowledge, and (ii) existing aligned…

Computation and Language · Computer Science 2026-05-28 Dikshya Mohanty , Mohammad Saqib Hasan , Syed Mostofa Monsur , Size Zheng , Benjamin Hsiao , Niranjan Balasubramanian

Crystal graph neural networks are widely applicable in modeling experimentally synthesized compounds and hypothetical materials with unknown synthesizability. In contrast, structure-agnostic predictive algorithms allow exploring previously…

Materials Science · Physics 2025-11-06 Ivan Rubtsov , Ivan Dudakov , Yuri Kuratov , Vadim Korolev

Large Language Models (LLMs) vary in their abilities on a range of tasks. Initiatives such as the Open LLM Leaderboard aim to quantify these differences with several large benchmarks (sets of test items to which an LLM can respond either…

Computation and Language · Computer Science 2025-02-21 Alex Kipnis , Konstantinos Voudouris , Luca M. Schulze Buschoff , Eric Schulz

Large Language Models (LLMs) do not differentially represent numbers, which are pervasive in text. In contrast, neuroscience research has identified distinct neural representations for numbers and words. In this work, we investigate how…

Artificial Intelligence · Computer Science 2024-01-10 Raj Sanjay Shah , Vijay Marupudi , Reba Koenen , Khushi Bhardwaj , Sashank Varma

In recent years, large language models (LLMs) have been extensively utilized for behavioral modeling, for example, to automatically generate sequence diagrams. However, no overview of this work has been published yet. Such an overview will…

Software Engineering · Computer Science 2025-09-30 Muhammad Laiq

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

While Large Vision-Language Models (LVLMs) demonstrate promising multilingual capabilities, their evaluation is currently hindered by two critical limitations: (1) the use of non-parallel corpora, which conflates inherent language…

Computer Vision and Pattern Recognition · Computer Science 2026-01-08 Junyuan Gao , Jiahe Song , Jiang Wu , Runchuan Zhu , Guanlin Shen , Shasha Wang , Xingjian Wei , Haote Yang , Songyang Zhang , Weijia Li , Bin Wang , Dahua Lin , Lijun Wu , Conghui He

Recently, Large Language Models (LLM) have demonstrated impressive capability to solve a wide range of tasks. However, despite their success across various tasks, no prior work has investigated their capability in the biomedical domain yet.…

Computation and Language · Computer Science 2024-02-21 Israt Jahan , Md Tahmid Rahman Laskar , Chun Peng , Jimmy Huang

While automated vulnerability detection techniques have made promising progress in detecting security vulnerabilities, their scalability and applicability remain challenging. The remarkable performance of Large Language Models (LLMs), such…

Cryptography and Security · Computer Science 2024-10-24 Avishree Khare , Saikat Dutta , Ziyang Li , Alaia Solko-Breslin , Rajeev Alur , Mayur Naik

Large Language Models (LLMs), typified by OpenAI's GPT, have marked a significant advancement in artificial intelligence. Trained on vast amounts of text data, LLMs are capable of understanding and generating human-like text across a…

Artificial Intelligence · Computer Science 2024-10-29 Haochen Zhang , Yuyang Dong , Chuan Xiao , Masafumi Oyamada

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI's GPT-3.5/4 and the recent…

Materials Science · Physics 2025-04-22 Zongrui Pei , Junqi Yin , Jiaxin Zhang

Evaluating large language models (LLMs) on comprehensive benchmarks is a cornerstone of their development, yet it's often computationally and financially prohibitive. While Item Response Theory (IRT) offers a promising path toward…

Artificial Intelligence · Computer Science 2025-10-07 Lele Liao , Qile Zhang , Ruofan Wu , Guanhua Fang

Large language models (LLMs) are rapidly increasing in size, with the number of parameters becoming a key factor in the success of many commercial models, such as ChatGPT, Claude, and Bard. Even the recently released publicly accessible…

Computation and Language · Computer Science 2023-09-19 Somnath Roy

Large Language Models (LLMs) have demonstrated impressive capabilities across various specialist domains and have been integrated into high-stakes areas such as medicine. However, as existing medical-related benchmarks rarely stress-test…

Computation and Language · Computer Science 2026-03-26 Lin Yang , Yuancheng Yang , Xu Wang , Changkun Liu , Haihua Yang
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