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Large language models (LLM) are perceived to offer promising potentials for automating security tasks, such as those found in security operation centers (SOCs). As a first step towards evaluating this perceived potential, we investigate the…

Cryptography and Security · Computer Science 2024-02-01 Kumar Shashwat , Francis Hahn , Xinming Ou , Dmitry Goldgof , Lawrence Hall , Jay Ligatti , S. Raj Rajgopalan , Armin Ziaie Tabari

Discovering new materials can have significant scientific and technological implications but remains a challenging problem today due to the enormity of the chemical space. Recent advances in machine learning have enabled data-driven methods…

Materials Science · Physics 2024-06-21 Shuyi Jia , Chao Zhang , Victor Fung

Large language models (LLMs) and small language models (SLMs) are being adopted at remarkable speed, although their safety still remains a serious concern. With the advent of multilingual S/LLMs, the question now becomes a matter of scale:…

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited…

Robotics · Computer Science 2025-07-03 Yibo Qiu , Zan Huang , Zhiyu Wang , Handi Liu , Yiling Qiao , Yifeng Hu , Shu'ang Sun , Hangke Peng , Ronald X Xu , Mingzhai Sun

To accurately and confidently answer the question 'could an AI model or system increase biorisk', it is necessary to have both a sound theoretical threat model for how AI models or systems could increase biorisk and a robust method for…

Large Language Models are expanding beyond being a tool humans use and into independent agents that can observe an environment, reason about solutions to problems, make changes that impact those environments, and understand how their…

Cryptography and Security · Computer Science 2026-02-17 Tailia Malloy , Tegawende F. Bissyande

Pharmaceutical process design and development for generic, innovative, or personalized drugs have always been a time-consuming, costly, rigorous process, that involves multi-stage evaluation for better quality control and assurance. Large…

Emerging Technologies · Computer Science 2025-03-24 Leqi Lin , Xingyu Zhou , Kaiyuan Yang , Xizhong Chen

Artificial Intelligence (AI) is revolutionizing scientific research, yet its growing integration into laboratory environments presents critical safety challenges. Large language models (LLMs) and vision language models (VLMs) now assist in…

The past decade has been transformative for mental health research and practice. The ability to harness large repositories of data, whether from electronic health records (EHR), mobile devices, or social media, has revealed a potential for…

Computation and Language · Computer Science 2023-11-28 Munmun De Choudhury , Sachin R. Pendse , Neha Kumar

Large language models (LLMs) have shown great potential as general-purpose AI assistants in various domains. To meet the requirements of different applications, LLMs are often customized by further fine-tuning. However, the powerful…

Machine Learning · Computer Science 2023-11-07 Xin Zhou , Yi Lu , Ruotian Ma , Tao Gui , Qi Zhang , Xuanjing Huang

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Large Language Models (LLMs) are increasingly used to control robotic systems such as drones, but their risks of causing physical threats and harm in real-world applications remain unexplored. Our study addresses the critical gap in…

Machine Learning · Computer Science 2026-02-20 Yung-Chen Tang , Pin-Yu Chen , Tsung-Yi Ho

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and…

Computation and Language · Computer Science 2024-07-16 Biqing Qi , Kaiyan Zhang , Kai Tian , Haoxiang Li , Zhang-Ren Chen , Sihang Zeng , Ermo Hua , Hu Jinfang , Bowen Zhou

While large language models (LLMs) have demonstrated remarkable versatility across a wide range of general tasks, their effectiveness often diminishes in domain-specific applications due to inherent knowledge gaps. Moreover, their…

Artificial Intelligence · Computer Science 2025-11-21 Hanzhi Yan , Qin Lu , Xianqiao Wang , Xiaoming Zhai , Tianming Liu , He Li

The increasing use of Large Language Models (LLMs) offers significant opportunities across the engineering lifecycle, including requirements engineering, software development, process optimization, and decision support. Despite this…

Software Engineering · Computer Science 2026-02-05 Stefan Otten , Philipp Reis , Philipp Rigoll , Joshua Ransiek , Tobias Schürmann , Jacob Langner , Eric Sax

Large language models (LLMs) have become integral to our professional workflows and daily lives. Nevertheless, these machine companions of ours have a critical flaw: the huge amount of data which endows them with vast and diverse knowledge,…

Computation and Language · Computer Science 2024-05-21 Tinh Son Luong , Thanh-Thien Le , Linh Ngo Van , Thien Huu Nguyen

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Artificial Intelligence · Computer Science 2026-05-19 Adeshola Okubena , Yusuf Ali Mohammed , Moe Elbadawi

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…

Large language models (LLMs) have become ubiquitous, interfacing with humans in numerous safety-critical applications. This necessitates improving capabilities, but importantly coupled with greater safety measures to align these models with…

Computation and Language · Computer Science 2025-06-26 Ujwal Narayan , Shreyas Chaudhari , Ashwin Kalyan , Tanmay Rajpurohit , Karthik Narasimhan , Ameet Deshpande , Vishvak Murahari

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