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Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

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…

Multimodal Large Language Models (MLLMs) are gaining increasing popularity in both academia and industry due to their remarkable performance in various applications such as visual question answering, visual perception, understanding, and…

Computation and Language · Computer Science 2024-09-09 Jian Li , Weiheng Lu , Hao Fei , Meng Luo , Ming Dai , Min Xia , Yizhang Jin , Zhenye Gan , Ding Qi , Chaoyou Fu , Ying Tai , Wankou Yang , Yabiao Wang , Chengjie Wang

Large Language Models (LLMs) have recently demonstrated remarkable capabilities in natural language processing tasks and beyond. This success of LLMs has led to a large influx of research contributions in this direction. These works…

Computation and Language · Computer Science 2024-10-18 Humza Naveed , Asad Ullah Khan , Shi Qiu , Muhammad Saqib , Saeed Anwar , Muhammad Usman , Naveed Akhtar , Nick Barnes , Ajmal Mian

Multimodal Large Language Model (MLLM) relies on the powerful LLM to perform multimodal tasks, showing amazing emergent abilities in recent studies, such as writing poems based on an image. However, it is difficult for these case studies to…

Computer Vision and Pattern Recognition · Computer Science 2025-10-27 Chaoyou Fu , Peixian Chen , Yunhang Shen , Yulei Qin , Mengdan Zhang , Xu Lin , Jinrui Yang , Xiawu Zheng , Ke Li , Xing Sun , Yunsheng Wu , Rongrong Ji , Caifeng Shan , Ran He

Rapid advancements in imaging techniques and analytical methods over the past decade have revolutionized our ability to comprehensively probe the biological world at multiple scales, pinpointing the type, quantity, location, and even…

Artificial Intelligence · Computer Science 2025-10-02 Shanghang Zhang , Gaole Dai , Tiejun Huang , Jianxu Chen

Large language models (LLMs) hold considerable potential for advancing scientific discovery, yet systematic assessment of their dynamic reasoning in real-world research remains limited. Current scientific evaluation benchmarks predominantly…

Computation and Language · Computer Science 2026-03-27 Taolin Han , Shuang Wu , Jinghang Wang , Yuhao Zhou , Renquan Lv , Bing Zhao , Wei Hu

The advent of large Vision-Language Models (VLMs) has significantly advanced multimodal tasks, enabling more sophisticated and accurate reasoning across various applications, including image and video captioning, visual question answering,…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Hang Hua , Qing Liu , Lingzhi Zhang , Jing Shi , Zhifei Zhang , Yilin Wang , Jianming Zhang , Jiebo Luo

Molecular Property Prediction (MPP) is a fundamental problem in drug discovery that has recently attracted growing attention. Large Language Models (LLMs), known for their impressive proficiency across domains, show promise as generalist…

Machine Learning · Computer Science 2026-05-28 Khiem Le , Sreejata Dey , Marcos Martínez Galindo , Vanessa Lopez , Ting Hua , Nitesh V. Chawla , Hoang Thanh Lam

The rapid advancement of reasoning capabilities in large language models (LLMs) has led to notable improvements on mathematical benchmarks. However, many of the most commonly used evaluation datasets (e.g., AIME 2024) are widely available…

Artificial Intelligence · Computer Science 2026-01-16 Mislav Balunović , Jasper Dekoninck , Ivo Petrov , Nikola Jovanović , Martin Vechev

Existing benchmarks for evaluating mathematical reasoning in large language models (LLMs) rely primarily on competition problems, formal proofs, or artificially challenging questions -- failing to capture the nature of mathematics…

Artificial Intelligence · Computer Science 2025-10-21 Jie Zhang , Cezara Petrui , Kristina Nikolić , Florian Tramèr

Recently, Large Language Models (LLMs) have demonstrated great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on one-to-one mappings,…

Computation and Language · Computer Science 2026-05-25 Jiatong Li , Junxian Li , Weida Wang , Yunqing Liu , Changmeng Zheng , Yatao Bian , Dongzhan Zhou , Xiao-yong Wei , Qing Li

Large language models (LLMs) regularly demonstrate new and impressive performance on a wide range of language, knowledge, and reasoning benchmarks. Such rapid progress has led many commentators to argue that LLM general cognitive…

Computation and Language · Computer Science 2025-02-21 James Fodor

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

Recent advancements in large language models (LLMs) have revealed their potential for achieving autonomous agents possessing human-level intelligence. However, existing benchmarks for evaluating LLM Agents either use static datasets,…

Computation and Language · Computer Science 2024-02-27 Junzhe Chen , Xuming Hu , Shuodi Liu , Shiyu Huang , Wei-Wei Tu , Zhaofeng He , Lijie Wen

Large language models (LLMs) showcase increasingly impressive English benchmark scores, however their performance profiles remain inconsistent across multilingual settings. To address this gap, we introduce PolyPrompt, a novel,…

Computation and Language · Computer Science 2025-06-04 Nathan Roll

Large language models (LLMs) are increasingly being used to synthesize and reason about source code. However, the static nature of these models' knowledge does not reflect the fact that libraries and API functions they invoke are…

Computation and Language · Computer Science 2025-04-04 Zeyu Leo Liu , Shrey Pandit , Xi Ye , Eunsol Choi , Greg Durrett

The rapid evolution of large language models (LLMs) has expanded their capabilities from basic dialogue to advanced scientific reasoning. However, existing benchmarks in biology often fail to assess a critical skill required of researchers:…

Artificial Intelligence · Computer Science 2026-02-06 Junting Zhou , Jin Chen , Linfeng Hao , Denghui Cao , Zheyu Wang , Qiguang Chen , Chaoyou Fu , Jiaze Chen , Yuchen Wu , Ge Zhang , Mingxuan Wang , Wenhao Huang , Tong Yang

Generating detailed captions comprehending text-rich visual content in images has received growing attention for Large Vision-Language Models (LVLMs). However, few studies have developed benchmarks specifically tailored for detailed…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Fan Lu , Wei Wu , Kecheng Zheng , Shuailei Ma , Biao Gong , Jiawei Liu , Wei Zhai , Yang Cao , Yujun Shen , Zheng-Jun Zha

Artificial Intelligence models have demonstrated significant success in diagnosing skin diseases, including cancer, showing the potential to assist clinicians in their analysis. However, the interpretability of model predictions must be…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Max Torop , Masih Eskandar , Nicholas Kurtansky , Jinyang Liu , Jochen Weber , Octavia Camps , Veronica Rotemberg , Jennifer Dy , Kivanc Kose