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Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from $10^{23}$ to $10^{60}$ possible synthesizable candidates. While various deep generative models have been…

Machine Learning · Computer Science 2025-08-25 Kamran Chitsaz , Roshan Balaji , Quentin Fournier , Nirav Pravinbhai Bhatt , Sarath Chandar

Large Language Models (LLMs) are widely deployed in diverse real-world settings, yet remain vulnerable to jailbreaking, where prompt-based attacks bypass safety filters. We present THREAT (Targeted Harmful generation via Reframing and…

Cryptography and Security · Computer Science 2026-05-22 Shahnewaz Karim Sakib , Swati Kar , Anindya Bijoy Das

Despite the transformative impact of Artificial Intelligence (AI) across various sectors, cyber security continues to rely on traditional static and dynamic analysis tools, hampered by high false positive rates and superficial code…

Cryptography and Security · Computer Science 2025-04-28 Rajesh Yarra

Large Language Model (LLM) inference uses an autoregressive manner to generate one token at a time, which exhibits notably lower operational intensity compared to earlier Machine Learning (ML) models such as encoder-only transformers and…

Hardware Architecture · Computer Science 2025-05-06 Yufeng Gu , Alireza Khadem , Sumanth Umesh , Ning Liang , Xavier Servot , Onur Mutlu , Ravi Iyer , Reetuparna Das

Current tool-using AI agents suffer from limited action space, context inefficiency, and probabilistic instability that makes them unsuitable for handling repetitive tasks which are otherwise reliably and efficiently tackled by agentic…

Software Engineering · Computer Science 2025-12-19 Nishant Gaurav , Adit Akarsh , Tejas Ravishankar , Manoj Bajaj

This paper introduces a novel self-consciousness defense mechanism for Large Language Models (LLMs) to combat prompt injection attacks. Unlike traditional approaches that rely on external classifiers, our method leverages the LLM's inherent…

Artificial Intelligence · Computer Science 2025-10-03 Boshi Huang , Fabio Nonato de Paula

Large Language Models (LLMs) have training corpora containing large amounts of program code, greatly improving the model's code comprehension and generation capabilities. However, sound comprehensive research on detecting program…

Cryptography and Security · Computer Science 2024-08-22 Yu Liu , Lang Gao , Mingxin Yang , Yu Xie , Ping Chen , Xiaojin Zhang , Wei Chen

Recent developments show that Large Language Models (LLMs) produce state-of-the-art performance on natural language (NL) to code generation for resource-rich general-purpose languages like C++, Java, and Python. However, their practical…

Small Language Models (SLMs) are emerging as efficient and economically viable alternatives to Large Language Models (LLMs), offering competitive performance with significantly lower computational costs and latency. These advantages make…

Cryptography and Security · Computer Science 2026-04-01 Md Jueal Mia , Joaquin Molto , Yanzhao Wu , M. Hadi Amini

Large language models (LLMs) are increasingly used for complex tasks that require multiple generation calls, advanced prompting techniques, control flow, and structured inputs/outputs. However, efficient systems are lacking for programming…

The systems and software powered by Large Language Models (LLMs) and Multi-Modal LLMs (MLLMs) have played a critical role in numerous scenarios. However, current LLM systems are vulnerable to prompt-based attacks, with jailbreaking attacks…

Cryptography and Security · Computer Science 2025-03-18 Xiaoyu Zhang , Cen Zhang , Tianlin Li , Yihao Huang , Xiaojun Jia , Ming Hu , Jie Zhang , Yang Liu , Shiqing Ma , Chao Shen

The integration of Large Language Models (LLMs) into wearable sensing is creating a new class of mobile applications capable of nuanced human activity understanding. However, the reliability of these systems is critically undermined by…

Cryptography and Security · Computer Science 2025-12-25 Yihan Wang , Huanqi Yang , Shantanu Pal , Weitao Xu

While large language models (LLMs) have achieved remarkable success in providing trustworthy responses for knowledge-intensive tasks, they still face critical limitations such as hallucinations and outdated knowledge. To address these…

Computation and Language · Computer Science 2025-08-06 Zizhong Li , Haopeng Zhang , Jiawei Zhang

Software architecture models capture early design decisions that strongly influence system quality attributes, including security. However, architecture-level security assessment and feedback are often absent in practice, allowing security…

Software Engineering · Computer Science 2026-03-26 Mahdi Jafari , Rahul Sharma , Sami Naim , Christopher Gerking , Ralf Reussner

Recent advances in large language models (LLMs) significantly boost their usage in software engineering. However, training a well-performing LLM demands a substantial workforce for data collection and annotation. Moreover, training datasets…

Software Engineering · Computer Science 2023-11-01 Zongjie Li , Chaozheng Wang , Pingchuan Ma , Chaowei Liu , Shuai Wang , Daoyuan Wu , Cuiyun Gao , Yang Liu

Large language models (LLMs) have demonstrated impressive capabilities across various natural language processing (NLP) tasks in recent years. However, their susceptibility to jailbreaks and perturbations necessitates additional…

Computation and Language · Computer Science 2025-06-10 Maciej Chrabąszcz , Katarzyna Lorenc , Karolina Seweryn

Agentic AI systems introduce a security surface that is qualitatively different from that of stateless LLMs. They persist memory, invoke external tools, coordinate with peer agents, and operate across sessions, allowing attacks to emerge…

Cryptography and Security · Computer Science 2026-05-07 Kexin Chu

What should a malicious user write next to fool a detection model? Identifying malicious users is critical to ensure the safety and integrity of internet platforms. Several deep learning-based detection models have been created. However,…

Machine Learning · Computer Science 2021-10-20 Bing He , Mustaque Ahamad , Srijan Kumar

Modern code completion engines, powered by large language models (LLMs), assist millions of developers with their strong capabilities to generate functionally correct code. Due to this popularity, it is crucial to investigate the security…

Cryptography and Security · Computer Science 2025-06-16 Slobodan Jenko , Niels Mündler , Jingxuan He , Mark Vero , Martin Vechev

The high computational and memory requirements of large language model (LLM) inference make it feasible only with multiple high-end accelerators. Motivated by the emerging demand for latency-insensitive tasks with batched processing, this…