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Language Models (LMs) excel in understanding textual descriptions of proteins, as evident in biomedical question-answering tasks. However, their capability falters with raw protein data, such as amino acid sequences, due to a deficit in…

Quantitative Methods · Quantitative Biology 2024-05-22 Zhiyuan Liu , An Zhang , Hao Fei , Enzhi Zhang , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Molecules play a crucial role in biomedical research and discovery, particularly in the field of small molecule drug development. Given the rapid advancements in large language models, especially the recent emergence of reasoning models, it…

Artificial Intelligence · Computer Science 2025-12-12 Chenyang Zuo , Siqi Fan , Zaiqing Nie

Recent advancements in video-language understanding have been established on the foundation of image-text models, resulting in promising outcomes due to the shared knowledge between images and videos. However, video-language understanding…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Xiao Wang , Yaoyu Li , Tian Gan , Zheng Zhang , Jingjing Lv , Liqiang Nie

Continuous prompts, or "soft prompts", are a widely-adopted parameter-efficient tuning strategy for large language models, but are often less favorable due to their opaque nature. Prior attempts to interpret continuous prompts relied on…

Computation and Language · Computer Science 2024-10-16 Dana Ramati , Daniela Gottesman , Mor Geva

Visual Language Models (VLMs) have emerged as pivotal tools for robotic systems, enabling cross-task generalization, dynamic environmental interaction, and long-horizon planning through multimodal perception and semantic reasoning. However,…

Robotics · Computer Science 2025-04-04 Zhiyuan Zhang , Yuxin He , Yong Sun , Junyu Shi , Lijiang Liu , Qiang Nie

De novo drug design is a crucial component of modern drug development, yet navigating the vast chemical space to find synthetically accessible, high-affinity candidates remains a significant challenge. Reinforcement Learning (RL) enhances…

Machine Learning · Computer Science 2025-12-25 R Yadunandan , Nimisha Ghosh

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…

Artificial Intelligence · Computer Science 2026-05-12 Haorui Wang , Jeff Guo , Lingkai Kong , Rampi Ramprasad , Philippe Schwaller , Yuanqi Du , Chao Zhang

Recent progress has shown that large-scale pre-training using contrastive image-text pairs can be a promising alternative for high-quality visual representation learning from natural language supervision. Benefiting from a broader source of…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Yongming Rao , Wenliang Zhao , Guangyi Chen , Yansong Tang , Zheng Zhu , Guan Huang , Jie Zhou , Jiwen Lu

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Large Language Models (LLMs), primarily trained on text-based datasets, exhibit exceptional proficiencies in understanding and executing complex linguistic instructions via text outputs. However, they falter when requests to generate…

Computer Vision and Pattern Recognition · Computer Science 2023-09-15 Xinyu Wang , Bohan Zhuang , Qi Wu

Recent concept-based interpretable models have succeeded in providing meaningful explanations by pre-defined concept sets. However, the dependency on the pre-defined concepts restricts the application because of the limited number of…

Artificial Intelligence · Computer Science 2025-02-19 Shin'ya Yamaguchi , Kosuke Nishida

We introduce a novel continued pre-training method, MELT (MatEriaLs-aware continued pre-Training), specifically designed to efficiently adapt the pre-trained language models (PLMs) for materials science. Unlike previous adaptation…

Computation and Language · Computer Science 2024-10-22 Junho Kim , Yeachan Kim , Jun-Hyung Park , Yerim Oh , Suho Kim , SangKeun Lee

Much of natural language processing is focused on leveraging large capacity language models, typically trained over single messages with a task of predicting one or more tokens. However, modeling human language at higher-levels of context…

Computation and Language · Computer Science 2021-11-03 Matthew Matero , Nikita Soni , Niranjan Balasubramanian , H. Andrew Schwartz

Multi-modal data abounds in biomedicine, such as radiology images and reports. Interpreting this data at scale is essential for improving clinical care and accelerating clinical research. Biomedical text with its complex semantics poses…

Recently, prompt tuning \cite{lester2021power} has gradually become a new paradigm for NLP, which only depends on the representation of the words by freezing the parameters of pre-trained language models (PLMs) to obtain remarkable…

Computation and Language · Computer Science 2022-01-31 Pan He , Yuxi Chen , Yan Wang , Yanru Zhang

Recent AI research plots a promising future of automatic chemical reactions within the chemistry society. This study proposes Chemist-X, a comprehensive AI agent that automates the reaction condition optimization (RCO) task in chemical…

Traditional robot simulators focus on physical process modeling and realistic rendering, often suffering from high computational costs, inefficiencies, and limited adaptability. To handle this issue, we concentrate on behavior simulation in…

Robotics · Computer Science 2025-09-09 Jianan Wang , Bin Li , Jingtao Qi , Xueying Wang , Fu Li , Hanxun Li

Style-conditioned scene text generation faces unique challenges in extracting precise text styles from complex backgrounds and maintaining fine-grained style consistency across characters, especially for multilingual scripts. We propose…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Zeyu Chen , Fangmin Zhao , Yan Shu , Yichao Liu , Liu Yu , Yu Zhou

Chemical Language Models (CLMs) leveraging reinforcement learning (RL) have shown promise in de novo molecular design, yet often suffer from mode collapse, limiting their exploration capabilities. Inspired by Test-Time Training (TTT) in…

Machine Learning · Computer Science 2025-12-04 Morgan Thomas , Albert Bou , Gianni De Fabritiis

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Artificial Intelligence · Computer Science 2026-05-27 Xuan Lin , Long Chen , Yile Wang , Yangyang Chen , Xiangxiang Zeng