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Large Language Models (LLMs) are advancing rapidly, yet the benchmarks used to measure this progress are becoming increasingly unreliable. Score inflation and selective reporting have eroded the authority of standard benchmarks, leaving the…

Artificial Intelligence · Computer Science 2026-02-13 Longyuan Zhu , Hairan Hua , Linlin Miao , Bing Zhao

Retrosynthesis analysis is pivotal yet challenging in drug discovery and organic chemistry. Despite the proliferation of computational tools over the past decade, AI-based systems often fall short in generalizing across diverse reaction…

Machine Learning · Computer Science 2024-08-21 Yifei Yang , Runhan Shi , Zuchao Li , Shu Jiang , Bao-Liang Lu , Yang Yang , Hai Zhao

Large language models (LLMs) have become important tools in solving biological problems, offering improvements in accuracy and adaptability over conventional methods. Several benchmarks have been proposed to evaluate the performance of…

Large Language Models (LLMs) are increasingly used for cybersecurity threat analysis, but their deployment in security-sensitive environments raises trust and safety concerns. With over 21,000 vulnerabilities disclosed in 2025, manual…

Cryptography and Security · Computer Science 2025-09-04 Reza Fayyazi , Michael Zuzak , Shanchieh Jay Yang

Amidst escalating concerns about the detriments inflicted by AI systems, risk management assumes paramount importance, notably for high-risk applications as demanded by the European Union AI Act. Guidelines provided by ISO and NIST aim to…

Computers and Society · Computer Science 2024-06-19 sundaraparipurnan Narayanan , Sandeep Vishwakarma

In an era where digital threats are increasingly sophisticated, the intersection of Artificial Intelligence and cybersecurity presents both promising defenses and potent dangers. This paper delves into the escalating threat posed by the…

Cryptography and Security · Computer Science 2024-08-26 Yusuf Usman , Aadesh Upadhyay , Prashnna Gyawali , Robin Chataut

The recent development of powerful AI systems has highlighted the need for robust risk management frameworks in the AI industry. Although companies have begun to implement safety frameworks, current approaches often lack the systematic…

Artificial Intelligence · Computer Science 2025-02-20 Simeon Campos , Henry Papadatos , Fabien Roger , Chloé Touzet , Otter Quarks , Malcolm Murray

Artificial Intelligence (AI) technologies like ChatGPT now threaten bibliometrics as the primary generators of research quality indicators. They are already used in at least one research quality evaluation system and evidence suggests that…

Digital Libraries · Computer Science 2025-06-10 Mike Thelwall

AI Large Language Models (LLMs) like ChatGPT are set to reshape some aspects of policymaking processes. Policy practitioners are already using ChatGPT for help with a variety of tasks: from drafting statements, submissions, and…

Computers and Society · Computer Science 2025-06-18 Matt Ziegler , Sarah Lothian , Brian O'Neill , Richard Anderson , Yoshitaka Ota

The rapid advancement of artificial intelligence has raised concerns about its potential to facilitate biological weapons development. We argue existing safety assessments of contemporary foundation AI models underestimate this risk,…

Computers and Society · Computer Science 2025-06-18 Roger Brent , T. Greg McKelvey

Background: Fine-tuning is central to adapting pre-trained Large Language Models (LLMs) to downstream tasks, but its reliance on training data, parameter updates, and reusable components opens entry points for attackers. Threats have…

Cryptography and Security · Computer Science 2026-05-26 Wenjuan Li , Yitao Liu , Runze Chen , Rajkumar Buyya

Research into AI alignment has grown considerably since the recent introduction of increasingly capable Large Language Models (LLMs). Unfortunately, modern methods of alignment still fail to fully prevent harmful responses when models are…

Cryptography and Security · Computer Science 2024-08-20 Matthew Pisano , Peter Ly , Abraham Sanders , Bingsheng Yao , Dakuo Wang , Tomek Strzalkowski , Mei Si

The literature and multiple experts point to many potential risks from large language models (LLMs), but there are still very few direct measurements of the actual harms posed. AI risk assessment has so far focused on measuring the models'…

Artificial Intelligence · Computer Science 2025-03-11 Malcolm Murray , Henry Papadatos , Otter Quarks , Pierre-François Gimenez , Simeon Campos

This paper surveys foundation models for AI-enabled biological design, focusing on recent developments in applying large-scale, self-supervised models to tasks such as protein engineering, small molecule design, and genomic sequence design.…

Artificial Intelligence · Computer Science 2025-05-20 Asher Moldwin , Amarda Shehu

Current LLM agent benchmarks, which predominantly focus on binary pass/fail tasks such as code generation or search-based question answering, often neglect the value of real-world engineering that is often captured through the iterative…

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

Machine Learning · Computer Science 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

To understand and identify the unprecedented risks posed by rapidly advancing artificial intelligence (AI) models, this report presents a comprehensive assessment of their frontier risks. Drawing on the E-T-C analysis (deployment…

Recent advancements in Large Language Model (LLM) agents have demonstrated remarkable potential in automatic knowledge discovery. However, rigorously evaluating an AI's capacity for knowledge discovery remains a critical challenge. Existing…

Computation and Language · Computer Science 2026-03-05 Chaoqun Yang , Xinyu Lin , Shulin Li , Wenjie Wang , Ruihan Guo , Fuli Feng , Tat-Seng Chua

Large Language Models (LLMs) are currently being integrated into industrial software applications to help users perform more complex tasks in less time. However, these LLM-Integrated Applications (LIA) expand the attack surface and…

Cryptography and Security · Computer Science 2025-04-28 Felix Viktor Jedrzejewski , Davide Fucci , Oleksandr Adamov