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Existing Protein Language Models (PLMs) often suffer from limited adaptability to multiple tasks and exhibit poor generalization across diverse biological contexts. In contrast, general-purpose Large Language Models (LLMs) lack the…

Machine Learning · Computer Science 2026-02-23 Yujia Wang , Jihong Guan , Wengen Li , Shuigeng Zhou , Xuhong Wang

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

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across…

Machine Learning · Computer Science 2025-05-07 Da Zheng , Lun Du , Junwei Su , Yuchen Tian , Yuqi Zhu , Jintian Zhang , Lanning Wei , Ningyu Zhang , Huajun Chen

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

Machine Learning · Computer Science 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Large language models (LLMs) have shown remarkable ability in various language tasks, especially with their emergent in-context learning capability. Extending LLMs to incorporate visual inputs, large vision-language models (LVLMs) have…

Machine Learning · Computer Science 2025-10-13 Aneesh Komanduri , Karuna Bhaila , Xintao Wu

Molecule discovery is a pivotal research field, impacting everything from medicine to materials. Recently, Large Language Models (LLMs) have been widely adopted in molecular understanding and generation, serving as a bridge between the…

Computation and Language · Computer Science 2026-04-29 Jiatong Li , Yunqing Liu , Wei Liu , Jingdi Le , Di Zhang , Wenqi Fan , Dongzhan Zhou , Yuqiang Li , Qing Li

Multimodal large language models (MLLMs) have shown great potential in perception and interpretation tasks, but their capabilities in predictive reasoning remain under-explored. To address this gap, we introduce a novel benchmark that…

Computer Vision and Pattern Recognition · Computer Science 2023-10-23 Mingwei Zhu , Leigang Sha , Yu Shu , Kangjia Zhao , Tiancheng Zhao , Jianwei Yin

The evaluation of large language models (LLMs) has traditionally relied on static benchmarks, a paradigm that poses two major limitations: (1) predefined test sets lack adaptability to diverse application domains, and (2) standardized…

Computation and Language · Computer Science 2025-05-29 Qingchen Yu , Zifan Zheng , Ding Chen , Simin Niu , Bo Tang , Feiyu Xiong , Zhiyu Li

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

Large Language Models (LLMs) and LLM-based agents show great promise in accelerating scientific research. Existing benchmarks for measuring this potential and guiding future development continue to evolve from pure recall and rote knowledge…

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as…

Quantitative Methods · Quantitative Biology 2024-03-05 Yin Fang , Xiaozhuan Liang , Ningyu Zhang , Kangwei Liu , Rui Huang , Zhuo Chen , Xiaohui Fan , Huajun Chen

The advancement of Multimodal Large Language Models (MLLMs) has greatly accelerated the development of applications in understanding integrated texts and images. Recent works leverage image-caption datasets to train MLLMs, achieving…

Computation and Language · Computer Science 2024-11-22 Mingxu Tao , Quzhe Huang , Kun Xu , Liwei Chen , Yansong Feng , Dongyan Zhao

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

Artificial Intelligence · Computer Science 2026-01-21 Jinyoung Park , Minseong Bae , Jeehye Na , Hyunwoo J. Kim

Evaluating the abilities of large models and manifesting their gaps are challenging. Current benchmarks adopt either ground-truth-based score-form evaluation on static datasets or indistinct textual chatbot-style human preferences…

Computer Vision and Pattern Recognition · Computer Science 2025-08-11 Zijian Chen , Lirong Deng , Zhengyu Chen , Kaiwei Zhang , Qi Jia , Yuan Tian , Yucheng Zhu , Guangtao Zhai

Multimodal Large Language Models (LLMs) hold promise for biomedical reasoning, but current benchmarks fail to capture the complexity of real-world clinical workflows. Existing evaluations primarily assess unimodal, decontextualized…

Large Language Models (LLMs) have demonstrated exceptional performance in general knowledge and reasoning tasks across various domains. However, their effectiveness in specialized scientific fields like Chemical and Biological Engineering…

Artificial Intelligence · Computer Science 2025-05-20 Gaurab Sarkar , Sougata Saha

Understanding and reasoning on the large-scale scientific literature is a crucial touchstone for large language model (LLM) based agents. However, existing works are mainly restricted to tool-free tasks within single papers, largely due to…

Artificial Intelligence · Computer Science 2026-02-02 Daoyu Wang , Mingyue Cheng , Shuo Yu , Zirui Liu , Ze Guo , Xin Li , Qi Liu

Large Language Models (LLMs) constitute a breakthrough state-of-the-art Artificial Intelligence (AI) technology which is rapidly evolving and promises to aid in medical diagnosis either by assisting doctors or by simulating a doctor's…

Precise recognition, editing, and generation of molecules are essential prerequisites for both chemists and AI systems tackling various chemical tasks. We present MolLangBench, a comprehensive benchmark designed to evaluate fundamental…

Computation and Language · Computer Science 2026-03-24 Feiyang Cai , Jiahui Bai , Tao Tang , Guijuan He , Joshua Luo , Tianyu Zhu , Srikanth Pilla , Gang Li , Ling Liu , Feng Luo

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan