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Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

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 research focuses on assessing the ability of AI foundation models in representing the trajectories of movements. We utilize one of the large language models (LLMs) (i.e., GPT-J) to encode the string format of trajectories and then…

Computation and Language · Computer Science 2024-09-04 Yuhan Ji , Song Gao

Connecting text and visual modalities plays an essential role in generative intelligence. For this reason, inspired by the success of large language models, significant research efforts are being devoted to the development of Multimodal…

Computer Vision and Pattern Recognition · Computer Science 2024-06-07 Davide Caffagni , Federico Cocchi , Luca Barsellotti , Nicholas Moratelli , Sara Sarto , Lorenzo Baraldi , Lorenzo Baraldi , Marcella Cornia , Rita Cucchiara

Achieving better alignment between vision embeddings and Large Language Models (LLMs) is crucial for enhancing the abilities of Multimodal LLMs (MLLMs), particularly for recent models that rely on powerful pretrained vision encoders and…

Computer Vision and Pattern Recognition · Computer Science 2025-05-26 Jiachen Jiang , Jinxin Zhou , Bo Peng , Xia Ning , Zhihui Zhu

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Large language models (LLMs) have shown remarkable proficiency in human-level reasoning and generation capabilities, which encourages extensive research on their application in mathematical problem solving. However, current work has been…

Computation and Language · Computer Science 2025-08-21 Jiahui Gao , Renjie Pi , Jipeng Zhang , Jiacheng Ye , Wanjun Zhong , Yufei Wang , Lanqing Hong , Jianhua Han , Hang Xu , Zhenguo Li , Lingpeng Kong

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

While large language models demonstrate remarkable capabilities at task-specific applications through fine-tuning, extending these benefits across diverse languages is essential for broad accessibility. However, effective cross-lingual…

Computation and Language · Computer Science 2025-06-03 Danni Liu , Jan Niehues

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

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from…

Machine Learning · Computer Science 2024-12-17 Nuowei Liu , Changzhi Sun , Tao Ji , Junfeng Tian , Jianxin Tang , Yuanbin Wu , Man Lan

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) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Geometric analyses of large language model (LLM) representations reveal structured variation across depth but remain fundamentally correlational with respect to token prediction formation. Meanwhile, causal interventions expose…

Machine Learning · Computer Science 2026-05-27 Shahar Haim , Daniel C McNamee

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo

Preference alignment has become a crucial component in enhancing the performance of Large Language Models (LLMs), yet its impact in Multimodal Large Language Models (MLLMs) remains comparatively underexplored. Similar to language models,…

Computer Vision and Pattern Recognition · Computer Science 2024-07-03 Elmira Amirloo , Jean-Philippe Fauconnier , Christoph Roesmann , Christian Kerl , Rinu Boney , Yusu Qian , Zirui Wang , Afshin Dehghan , Yinfei Yang , Zhe Gan , Peter Grasch

Achieving deep alignment between vision and language remains a central challenge for Multimodal Large Language Models (MLLMs). These models often fail to fully leverage visual input, defaulting to strong language priors. Our approach first…

Computer Vision and Pattern Recognition · Computer Science 2025-07-03 Aarti Ghatkesar , Ganesh Venkatesh

Since the release of ChatGPT and GPT-4, large language models (LLMs) and multimodal large language models (MLLMs) have attracted widespread attention for their exceptional capabilities in understanding, reasoning, and generation,…

Computation and Language · Computer Science 2024-12-31 Hanguang Xiao , Feizhong Zhou , Xingyue Liu , Tianqi Liu , Zhipeng Li , Xin Liu , Xiaoxuan Huang

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang