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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

Recent Multi-Modal Large Language Models (MLLMs) have demonstrated strong capabilities in learning joint representations from text and images. However, their spatial reasoning remains limited. We introduce 3DFroMLLM, a novel framework that…

Computer Vision and Pattern Recognition · Computer Science 2025-08-13 Noor Ahmed , Cameron Braunstein , Steffen Eger , Eddy Ilg

There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize the chemical structures of molecules but ignore the vast textual knowledge available in chemistry.…

Machine Learning · Computer Science 2024-01-31 Shengchao Liu , Weili Nie , Chengpeng Wang , Jiarui Lu , Zhuoran Qiao , Ling Liu , Jian Tang , Chaowei Xiao , Anima Anandkumar

The advancement of Large Language Models (LLMs), including GPT-4, provides exciting new opportunities for generative design. We investigate the application of this tool across the entire design and manufacturing workflow. Specifically, we…

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

Artificial Intelligence · Computer Science 2025-05-12 Lorenzo Di Fruscia , Jana Marie Weber

The remarkable performance of large language models (LLMs) in zero-shot language understanding has garnered significant attention. However, employing LLMs for large-scale inference or domain-specific fine-tuning requires immense…

Computation and Language · Computer Science 2024-04-16 Ruohong Zhang , Yau-Shian Wang , Yiming Yang

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

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Nuclear Theory · Physics 2026-05-29 S. J. Guo , S. Y. Wang , E. H. Wang , Z. M. Niu , Y. M. Ding

The field of chemistry and Artificial Intelligence (AI) intersection is an area of active research that aims to accelerate scientific discovery. The integration of large language models (LLMs) with scientific modalities has shown…

Computation and Language · Computer Science 2024-07-16 Dimitris Gkoumas

Large language models (LLMs) have achieved remarkable progress in the field of natural language processing (NLP), demonstrating remarkable abilities in producing text that resembles human language for various tasks. This opens up new…

Information Retrieval · Computer Science 2024-06-05 Jianghao Lin , Xinyi Dai , Rong Shan , Bo Chen , Ruiming Tang , Yong Yu , Weinan Zhang

The introduction of large language models (LLMs) has greatly enhanced the capabilities of software agents. Instead of relying on rule-based interactions, agents can now interact in flexible ways akin to humans. However, this flexibility…

Human-Computer Interaction · Computer Science 2026-02-04 Joar Sabel , Mattias Wingren , Andreas Lundell , Sören Andersson , Sara Rosenberg , Susanne Hägglund , Linda Estman , Malin Andtfolk

Very large language models (LLMs), such as GPT-3 and Codex have achieved state-of-the-art performance on several natural-language tasks, and show great promise also for code. A particularly exciting aspect of LLMs is their knack for…

Software Engineering · Computer Science 2022-09-09 Toufique Ahmed , Premkumar Devanbu

Accurate and efficient question-answering systems are essential for delivering high-quality patient care in the medical field. While Large Language Models (LLMs) have made remarkable strides across various domains, they continue to face…

Computation and Language · Computer Science 2025-01-22 Hang Yang , Hao Chen , Hui Guo , Yineng Chen , Ching-Sheng Lin , Shu Hu , Jinrong Hu , Xi Wu , Xin Wang

Genes, proteins and other biological entities influence one another via causal molecular networks. Causal relationships in such networks are mediated by complex and diverse mechanisms, through latent variables, and are often specific to…

Machine Learning · Computer Science 2025-03-07 Izzy Newsham , Luka Kovačević , Richard Moulange , Nan Rosemary Ke , Sach Mukherjee

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug…

Multilingual Large Language Models (LLMs) have recently shown great capabilities in a wide range of tasks, exhibiting state-of-the-art performance through zero-shot or few-shot prompting methods. While there have been extensive studies on…

Computation and Language · Computer Science 2023-10-24 Ruochen Zhang , Samuel Cahyawijaya , Jan Christian Blaise Cruz , Genta Indra Winata , Alham Fikri Aji

Large Language Models (LLMs) have remarkable capabilities across NLP tasks. However, their performance in multilingual contexts, especially within the mental health domain, has not been thoroughly explored. In this paper, we evaluate…

Computation and Language · Computer Science 2026-02-03 Nishat Raihan , Sadiya Sayara Chowdhury Puspo , Ana-Maria Bucur , Stevie Chancellor , Marcos Zampieri

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

Artificial intelligence (AI) technology has advanced rapidly in recent years, with large language models (LLMs) emerging as a significant breakthrough. LLMs are increasingly making an impact across various industries, with the medical field…

Artificial Intelligence · Computer Science 2025-09-24 Zhiyu Kan , Wensheng Gan , Zhenlian Qi , Philip S. Yu