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Large Language Models (LLMs) often struggle with complex multi-step planning tasks, showing high rates of constraint violations and inconsistent solutions. Existing strategies such as Chain-of-Thought and ReAct rely on implicit state…

Artificial Intelligence · Computer Science 2025-12-17 Annu Rana , Gaurav Kumar

Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…

Computational Physics · Physics 2026-04-27 William Dawson , Louis Beal , Yoann Curé , Giuseppe Fisicaro , Dorian Rolland , Luigi Genovese

We introduce a comprehensive validation framework for LLM-based agentic systems that provides systematic diagnosis and improvement of reliability failures. The framework includes fifteen failure-detection tools and two root-cause analysis…

Artificial Intelligence · Computer Science 2026-04-01 Hadar Mulian , Sergey Zeltyn , Ido Levy , Liane Galanti , Avi Yaeli , Segev Shlomov

As large language models (LLMs) transition from static tools to fully agentic systems, their potential for transforming social science research has become increasingly evident. This paper introduces a structured framework for understanding…

Multiagent Systems · Computer Science 2026-05-19 Jennifer Haase , Sebastian Pokutta

Recent mechanistic studies suggest that large language models (LLMs) may utilize their depth inefficiently in standard single-turn tasks. Whether this still holds in autonomous agent settings, where models must perform multi-turn planning,…

Artificial Intelligence · Computer Science 2026-05-28 Zhenyu Cui , Xiangzhong Luo

LLM systems must make control decisions in addition to generating outputs: whether to answer, clarify, retrieve, call tools, repair, or escalate. In many current architectures, these decisions remain implicit within generation, entangling…

Artificial Intelligence · Computer Science 2026-04-02 Wei Sun

Question answering (QA) plays a central role in financial education, yet existing large language model (LLM) approaches often fail to capture the nuanced and specialized reasoning required for financial problem-solving. The financial domain…

Computation and Language · Computer Science 2025-09-15 Andy Zhu , Yingjun Du

Recent advances in Large Language Models (LLMs) have significantly improved table understanding tasks such as Table Question Answering (TableQA), yet challenges remain in ensuring reliability, scalability, and efficiency, especially in…

Computation and Language · Computer Science 2026-04-22 Sieun Hyeon , Jusang Oh , Sunghwan Steve Cho , Jaeyoung Do

Large language models (LLMs) have shown promise for automated patching, but their effectiveness depends strongly on how they are integrated into patching systems. While prior work explores prompting strategies and individual agent designs,…

Cryptography and Security · Computer Science 2026-03-03 Qingxiao Xu , Ze Sheng , Zhicheng Chen , Jeff Huang

Modeling multi-agent systems requires understanding how agents interact. Such systems are often difficult to model because they can involve a variety of types of interactions that layer together to drive rich social behavioral dynamics.…

Machine Learning · Computer Science 2023-01-26 Fan-Yun Sun , Isaac Kauvar , Ruohan Zhang , Jiachen Li , Mykel Kochenderfer , Jiajun Wu , Nick Haber

Ontology matching (OM) plays a key role in enabling data interoperability and knowledge sharing, but it remains challenging due to the need for large training datasets and limited vocabulary processing in machine learning approaches.…

Information Retrieval · Computer Science 2025-03-28 Maria Taboada , Diego Martinez , Mohammed Arideh , Rosa Mosquera

Multi-agent systems (MAS) powered by LLMs promise adaptive, reasoning-driven enterprise workflows, yet granting agents autonomous control over tools, memory, and communication introduces attack surfaces absent from deterministic pipelines.…

Cryptography and Security · Computer Science 2026-03-11 Shaswata Mitra , Raj Patel , Sudip Mittal , Md Rayhanur Rahman , Shahram Rahimi

Large Language Models (LLMs) often struggle to deliver accurate and actionable answers when user-provided information is incomplete or ill-specified. We propose a new interaction paradigm, First Ask Then Answer (FATA), in which, through…

Artificial Intelligence · Computer Science 2025-08-13 Chuanruo Fu , Yuncheng Du

Large Language Models (LLMs) demonstrate strong performance but often lack interpretable reasoning. This paper introduces the Multi-Agent Collaboration Framework for Diverse Thinking Modes (DiMo), which enhances both performance and…

Computation and Language · Computer Science 2025-10-21 Zhixuan He , Yue Feng

Maintaining reliable UI test suites in large-scale enterprise applications is a persistent and costly challenge. We present an industrial case study of a multi-agent autonomous testing system evaluated using anonymized execution data from a…

Software Engineering · Computer Science 2026-05-05 Hyukjoo Lee

Advanced Persistent Threats (APTs) are prolonged, stealthy intrusions by skilled adversaries that compromise high-value systems to steal data or disrupt operations. Reconstructing complete attack chains from massive, heterogeneous logs is…

Cryptography and Security · Computer Science 2025-09-03 Rujie Dai , Peizhuo Lv , Yujiang Gui , Qiujian Lv , Yuanyuan Qiao , Yan Wang , Degang Sun , Weiqing Huang , Yingjiu Li , XiaoFeng Wang

As Large Language Models (LLMs) are increasingly integrated into automated, multi-stage pipelines, risk patterns that arise from unvalidated trust between processing stages become a practical concern. This paper presents a…

Cryptography and Security · Computer Science 2025-11-03 Dominik Schwarz

When users submit queries to Large Language Models (LLMs), their prompts can often contain sensitive data, forcing a difficult choice: Send the query to a powerful proprietary LLM providers to achieving state-of-the-art performance and risk…

Cryptography and Security · Computer Science 2026-04-21 Zheng Hui , Yijiang River Dong , Sanhanat Sivapiromrat , Ehsan Shareghi , Nigel Collier

As demand for Large Language Models (LLMs) and AI agents grows rapidly, optimizing systems for efficient LLM inference becomes critical. While significant efforts have targeted system-level engineering, little has been explored from a…

Machine Learning · Statistics 2026-05-19 J. G. Dai , Tianze Deng , Yueying Li , Tianyi Peng

Current LLM agents operate under an implicit but universal assumption: execution is a transaction -- the user submits a request, the agent works in isolation, and only upon completion does the dialogue resume. This forces users into a…

Machine Learning · Computer Science 2026-04-28 Zhiyuan Zhai , Ming Li , Xin Wang