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Artificial intelligence (AI) systems are revolutionizing fields such as medicine, drug discovery, and materials science; however, many technologists and policymakers are also concerned about the technology's risks. To date, most concrete…

Computers and Society · Computer Science 2026-01-30 Prateek Puri

Large language models (LLMs) are increasingly embedded in AI-based tutoring systems. Can they faithfully model novice reasoning and metacognitive judgments? Existing evaluations emphasize problem-solving accuracy, overlooking the fragmented…

Computation and Language · Computer Science 2026-05-12 Conrad Borchers , Jill-Jênn Vie , Roger Azevedo

The advent of Large Language Models (LLMs) has revolutionized various applications by providing advanced natural language processing capabilities. However, this innovation introduces new cybersecurity challenges. This paper explores the…

Cryptography and Security · Computer Science 2024-06-18 Stephen Burabari Tete

In this paper, we explore the potential of Large Language Models (LLMs) to reason about threats, generate information about tools, and automate cyber campaigns. We begin with a manual exploration of LLMs in supporting specific…

Cryptography and Security · Computer Science 2023-10-12 Stephen Moskal , Sam Laney , Erik Hemberg , Una-May O'Reilly

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

Large language models (LLMs) present a dual challenge for forensic linguistics. They serve as powerful analytical tools enabling scalable corpus analysis and embedding-based authorship attribution, while simultaneously destabilising…

Computation and Language · Computer Science 2025-12-09 George Mikros

As large language models (LLMs) evolve into autonomous "AI scientists," they promise transformative advances but introduce novel vulnerabilities, from potential "biosafety risks" to "dangerous explosions." Ensuring trustworthy deployment in…

Cryptography and Security · Computer Science 2026-03-20 Saket Sanjeev Chaturvedi , Joshua Bergerson , Tanwi Mallick

Generative AI is increasingly important in software engineering, including safety engineering, where its use ensures that software does not cause harm to people. This also leads to high quality requirements for generative AI. Therefore, the…

Software Engineering · Computer Science 2024-04-25 Florian Geissler , Karsten Roscher , Mario Trapp

Large language models (LLMs) can reproduce a wide variety of rhetorical styles and generate text that expresses a broad spectrum of sentiments. This capacity, now available at low cost, makes them powerful tools for manipulation and…

Social and Information Networks · Computer Science 2024-05-08 Yaqub Chaudhary , Jonnie Penn

Large Language Models (LLMs) have become integral to Software Engineering (SE), increasingly used in development workflows. However, their widespread adoption raises concerns about the presence and propagation of toxic language - harmful or…

Machine Learning · Computer Science 2026-01-21 Hao Zhuo , Yicheng Yang , Kewen Peng

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Construction remains one of the most hazardous sectors. Recent advancements in AI, particularly Large Language Models (LLMs), offer promising opportunities for enhancing workplace safety. However, responsible integration of LLMs requires…

Artificial Intelligence · Computer Science 2024-11-14 Farouq Sammour , Jia Xu , Xi Wang , Mo Hu , Zhenyu Zhang

Multi-purpose Large Language Models (LLMs), a subset of generative Artificial Intelligence (AI), have recently made significant progress. While expectations for LLMs to assist systems engineering (SE) tasks are paramount; the…

Computation and Language · Computer Science 2025-02-17 Taylan G. Topcu , Mohammed Husain , Max Ofsa , Paul Wach

The widespread adoption of Large Language Models (LLMs) has revolutionized AI deployment, enabling autonomous and semi-autonomous applications across industries through intuitive language interfaces and continuous improvements in model…

Cryptography and Security · Computer Science 2025-10-20 Adam Swanda , Amy Chang , Alexander Chen , Fraser Burch , Paul Kassianik , Konstantin Berlin

With the rapid advancement of artificial intelligence, Large Language Models (LLMs) have shown remarkable capabilities in Natural Language Processing (NLP), including content generation, human-computer interaction, machine translation, and…

Computation and Language · Computer Science 2025-10-31 Songyang Liu , Chaozhuo Li , Jiameng Qiu , Xi Zhang , Feiran Huang , Litian Zhang , Yiming Hei , Philip S. Yu

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches…

Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML)…

The need for analysis of toxicity in new drug candidates and the requirement of doing it fast have asked the consideration of scientists towards the use of artificial intelligence tools to examine toxicity levels and to develop models to a…

Quantitative Methods · Quantitative Biology 2021-01-27 Mriganka Nath , Subhasish Goswami