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Machine learning accelerates molecular property prediction, yet state-of-the-art Large Language Models and Graph Neural Networks operate as black boxes. In drug discovery, where safety is critical, this opacity risks masking false…

Machine Learning · Computer Science 2026-03-03 Oscar Rivera , Ziqing Wang , Matthieu Dagommer , Abhishek Pandey , Kaize Ding

Large language models (LLMs) have sparked significant impact with regard to both intelligence and productivity. Numerous enterprises have integrated LLMs into their applications to solve their own domain-specific tasks. However, integrating…

Software Engineering · Computer Science 2025-06-26 Kaifeng Huang , Bihuan Chen , You Lu , Susheng Wu , Dingji Wang , Yiheng Huang , Haowen Jiang , Zhuotong Zhou , Junming Cao , Xin Peng

Deep learning has been rapidly employed in many applications revolutionizing many industries, but it is known to be vulnerable to adversarial attacks. Such attacks pose a serious threat to deep learning-based systems compromising their…

Computer Vision and Pattern Recognition · Computer Science 2023-07-25 Eldor Abdukhamidov , Mohammed Abuhamad , Simon S. Woo , Eric Chan-Tin , Tamer Abuhmed

Large Language Models (LLMs) are advancing at a remarkable pace, with myriad applications under development. Unlike most earlier machine learning models, they are no longer built for one specific application but are designed to excel in a…

Computation and Language · Computer Science 2023-10-31 Valentin Hartmann , Anshuman Suri , Vincent Bindschaedler , David Evans , Shruti Tople , Robert West

Autonomous driving technology, a catalyst for revolutionizing transportation and urban mobility, has the tend to transition from rule-based systems to data-driven strategies. Traditional module-based systems are constrained by cumulative…

Artificial Intelligence · Computer Science 2024-08-13 Zhenjie Yang , Xiaosong Jia , Hongyang Li , Junchi Yan

As API access becomes a primary interface to large language models (LLMs), users often interact with black-box systems that offer little transparency into the deployed model. To reduce costs or maliciously alter model behaviors, API…

Cryptography and Security · Computer Science 2026-04-10 Xiaoyuan Zhu , Yaowen Ye , Tianyi Qiu , Hanlin Zhu , Sijun Tan , Ajraf Mannan , Jonathan Michala , Raluca Ada Popa , Willie Neiswanger

The rapid adoption of Large Language Model (LLM) agents and multi-agent systems enables remarkable capabilities in natural language processing and generation. However, these systems introduce security vulnerabilities that extend beyond…

Cryptography and Security · Computer Science 2026-05-12 Matteo Lupinacci , Francesco Aurelio Pironti , Francesco Blefari , Francesco Romeo , Luigi Arena , Angelo Furfaro

The Large Language Models (LLMs) are poised to offer efficient and intelligent services for future mobile communication networks, owing to their exceptional capabilities in language comprehension and generation. However, the extremely high…

Cryptography and Security · Computer Science 2023-09-07 Haomiao Yang , Kunlan Xiang , Mengyu Ge , Hongwei Li , Rongxing Lu , Shui Yu

Empowering large language models to accurately express confidence in their answers is essential for trustworthy decision-making. Previous confidence elicitation methods, which primarily rely on white-box access to internal model information…

Computation and Language · Computer Science 2024-03-19 Miao Xiong , Zhiyuan Hu , Xinyang Lu , Yifei Li , Jie Fu , Junxian He , Bryan Hooi

Measuring innovation often relies on context-specific proxies and on expert evaluation. Hence, empirical innovation research is often limited to settings where such data is available. We investigate how large language models (LLMs) can be…

Computation and Language · Computer Science 2025-08-05 Robin Nowak , Patrick Figge , Carolin Haeussler

Large Language Models (LLMs) are gaining traction as a method to generate consensus statements and aggregate preferences in digital democracy experiments. Yet, LLMs could introduce critical vulnerabilities in these systems. Here, we examine…

Computers and Society · Computer Science 2026-03-03 Jairo Gudiño-Rosero , Clément Contet , Umberto Grandi , César A. Hidalgo

Large language models (LLMs) have strong capabilities in solving diverse natural language processing tasks. However, the safety and security issues of LLM systems have become the major obstacle to their widespread application. Many studies…

Computation and Language · Computer Science 2024-01-12 Tianyu Cui , Yanling Wang , Chuanpu Fu , Yong Xiao , Sijia Li , Xinhao Deng , Yunpeng Liu , Qinglin Zhang , Ziyi Qiu , Peiyang Li , Zhixing Tan , Junwu Xiong , Xinyu Kong , Zujie Wen , Ke Xu , Qi Li

Large Language Models (LLMs) are versatile, yet they often falter in tasks requiring deep and reliable reasoning due to issues like hallucinations, limiting their applicability in critical scenarios. This paper introduces a rigorously…

Computation and Language · Computer Science 2023-11-21 Saizhuo Wang , Zhihan Liu , Zhaoran Wang , Jian Guo

In recent years, black-box machine learning approaches have become a dominant modeling paradigm for knowledge extraction in remote sensing. Despite the potential benefits of uncovering the inner workings of these models with explainable AI,…

The training and deployment of large language models (LLMs) create a feedback loop with human users: models learn human beliefs from data, reinforce these beliefs with generated content, reabsorb the reinforced beliefs, and feed them back…

Machine Learning · Computer Science 2025-06-09 Tianyi Alex Qiu , Zhonghao He , Tejasveer Chugh , Max Kleiman-Weiner

The integration of Large Language Models (LLMs) into the software development lifecycle (SDLC) masks a critical socio-technical failure: Cognitive-Systemic Collapse. This paper introduces "Epistemological Debt," the hidden carrying cost…

Software Engineering · Computer Science 2026-05-05 Frank Ginac

This article introduces the concept of the algorithmic unconscious to designate the set of structural determinations that operate within large language models (LLMs) without being accessible either to the model's own reflexivity or to that…

Computers and Society · Computer Science 2026-02-24 Philippe Boisnard

Many of the computing systems programmed using Machine Learning are opaque: it is difficult to know why they do what they do or how they work. The Explainable Artificial Intelligence research program aims to develop analytic techniques with…

General Literature · Computer Science 2019-07-08 Carlos Zednik

Large language models (LLMs) are increasingly augmented with long-term memory systems to overcome finite context windows and enable persistent reasoning across interactions. However, recent research finds that LLMs become more vulnerable…

Machine Learning · Computer Science 2026-02-18 Mitchell Piehl , Zhaohan Xi , Zuobin Xiong , Pan He , Muchao Ye

Large Language Model (LLM) agents offer a potentially-transformative path forward for generative social science but face a critical crisis of validity. Current simulation evaluation methodologies suffer from the "stopped clock" problem:…

Multiagent Systems · Computer Science 2026-04-14 Juhoon Lee , Joseph Seering