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Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties…

Machine Learning · Computer Science 2025-12-11 Mengren , Liu , Yixiang Zhang , Yiming , Zhang

Protein language models (pLMs) have demonstrated success at generating functional proteins across vast sequence spaces but lack the ability to design high-fitness variants on demand. Here, we iteratively guide pLMs toward user-defined…

Biomolecules · Quantitative Biology 2025-12-01 Filippo Stocco , Maria Artigues-Lleixa , Andrea Hunklinger , Talal Widatalla , Marc Guell , Noelia Ferruz

Detecting protein-protein interactions (PPIs) is crucial for understanding genetic mechanisms, disease pathogenesis, and drug design. However, with the fast-paced growth of biomedical literature, there is a growing need for automated and…

Computation and Language · Computer Science 2023-12-14 Hasin Rehana , Nur Bengisu Çam , Mert Basmaci , Jie Zheng , Christianah Jemiyo , Yongqun He , Arzucan Özgür , Junguk Hur

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

With the rise of Transformers and Large Language Models (LLMs) in Chemistry and Biology, new avenues for the design and understanding of therapeutics have opened up to the scientific community. Protein sequences can be modeled as language…

Machine Learning · Computer Science 2023-11-01 Seongwon Kim , Parisa Mollaei , Akshay Antony , Rishikesh Magar , Amir Barati Farimani

Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

Biomolecules · Quantitative Biology 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

In recent years, large language models(LLMs) have attracted significant attention due to their exceptional performance across a multitude of natural language process tasks, and have been widely applied in various fields. However, the…

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat…

Machine Learning · Computer Science 2026-05-26 Gal Pomerants , Yaniv Nikankin , Anja Reusch , Tomer Tsaban , Ora Schueler-Furman , Yonatan Belinkov

Proteins are central to biological systems, participating as building blocks across all forms of life. Despite advancements in understanding protein functions through protein sequence analysis, there remains potential for further…

Machine Learning · Computer Science 2025-08-29 Yunqing Liu , Wenqi Fan , Xiaoyong Wei , Qing Li

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on…

Biomolecules · Quantitative Biology 2025-04-03 Yingheng Wang , Zichen Wang , Gil Sadeh , Luca Zancato , Alessandro Achille , George Karypis , Huzefa Rangwala

Large language models~(LLM) like ChatGPT have become indispensable to artificial general intelligence~(AGI), demonstrating excellent performance in various natural language processing tasks. In the real world, graph data is ubiquitous and…

Artificial Intelligence · Computer Science 2023-07-12 Jiayan Guo , Lun Du , Hengyu Liu , Mengyu Zhou , Xinyi He , Shi Han

Conversation agents fueled by Large Language Models (LLMs) are providing a new way to interact with visual data. While there have been initial attempts for image-based conversation models, this work addresses the under-explored field of…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Muhammad Maaz , Hanoona Rasheed , Salman Khan , Fahad Shahbaz Khan

This paper introduces MiniGPT4-Video, a multimodal Large Language Model (LLM) designed specifically for video understanding. The model is capable of processing both temporal visual and textual data, making it adept at understanding the…

Computer Vision and Pattern Recognition · Computer Science 2024-04-05 Kirolos Ataallah , Xiaoqian Shen , Eslam Abdelrahman , Essam Sleiman , Deyao Zhu , Jian Ding , Mohamed Elhoseiny

Multimodal Large Language Models (MLLMs) are widely regarded as crucial in the exploration of Artificial General Intelligence (AGI). The core of MLLMs lies in their capability to achieve cross-modal alignment. To attain this goal, current…

Computation and Language · Computer Science 2024-11-26 Fei Zhao , Taotian Pang , Chunhui Li , Zhen Wu , Junjie Guo , Shangyu Xing , Xinyu Dai

This paper introduces a novel framework, Tree-GPT, which incorporates Large Language Models (LLMs) into the forestry remote sensing data workflow, thereby enhancing the efficiency of data analysis. Currently, LLMs are unable to extract or…

Computer Vision and Pattern Recognition · Computer Science 2023-10-10 Siqi Du , Shengjun Tang , Weixi Wang , Xiaoming Li , Renzhong Guo

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

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce…

Materials Science · Physics 2024-07-02 Kamal Choudhary

Multimodal Large Language Models (MLLMs) have excelled in 2D image-text comprehension and image generation, but their understanding of the 3D world is notably deficient, limiting progress in 3D language understanding and generation. To…

Computer Vision and Pattern Recognition · Computer Science 2025-06-02 Zhangyang Qi , Ye Fang , Zeyi Sun , Xiaoyang Wu , Tong Wu , Jiaqi Wang , Dahua Lin , Hengshuang Zhao

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…

Machine Learning · Computer Science 2025-02-12 Xuefeng Liu , Songhao Jiang , Siyu Chen , Zhuoran Yang , Yuxin Chen , Ian Foster , Rick Stevens

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
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