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Large Language Models (LLMs) often struggle with complex mathematical reasoning, where prose-based generation leads to unverified and arithmetically unsound solutions. Current prompting strategies like Chain of Thought still operate within…

Computation and Language · Computer Science 2026-01-27 Sina Bagheri Nezhad , Yao Li , Ameeta Agrawal

Adversarial vulnerability and lack of interpretability are critical limitations of deep neural networks, especially in safety-sensitive settings such as autonomous driving. We introduce \DesignII, a neuro-symbolic framework that integrates…

Machine Learning · Computer Science 2026-01-21 Ali Shafiee Sarvestani , Jason Schmidt , Arman Roohi

The development of high-level autonomous driving (AD) is shifting from perception-centric limitations to a more fundamental bottleneck, namely, a deficit in robust and generalizable reasoning. Although current AD systems manage structured…

Artificial Intelligence · Computer Science 2026-03-13 Kejin Yu , Yuhan Sun , Taiqiang Wu , Ruixu Zhang , Zhiqiang Lin , Yuxin Meng , Junjie Wang , Yujiu Yang

Existing LLM-enabled multi-agent frameworks are predominantly limited to digital or simulated environments and confined to narrowly focused knowledge domain, constraining their applicability to complex engineering tasks that require the…

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods.…

Computational Fluid Dynamics (CFD) is critical for scientific advancement but is hindered by operational complexity and high expertise barriers. This paper introduces ChatCFD, a Large Language Model (LLM)-driven multi-agent system designed…

Computation and Language · Computer Science 2026-02-10 E Fan , Kang Hu , Zhuowen Wu , Jiangyang Ge , Jiawei Miao , Yuzhi Zhang , He Sun , Weizong Wang , Tianhan Zhang

Designing realistic and adaptive networked threat scenarios remains a core challenge in cybersecurity research and training, still requiring substantial manual effort. While large language models (LLMs) show promise for automated synthesis,…

Cryptography and Security · Computer Science 2025-10-30 Ana M. Rodriguez , Jaime Acosta , Anantaa Kotal , Aritran Piplai

Computational fluid dynamics (CFD) has been the main workhorse of computational physics. Yet its steep learning curve and fragmented, multi-stage workflow create significant barriers. To address these challenges, we present Foam-Agent, a…

Artificial Intelligence · Computer Science 2026-03-06 Ling Yue , Nithin Somasekharan , Tingwen Zhang , Yadi Cao , Zhangze Chen , Shimin Di , Shaowu Pan

While large language models (LLMs) promise to revolutionize automated scientific discovery, their application in rigorous real-world physical research is stalled by two critical barriers: a lack of realistic evaluation benchmarks and…

Computational Physics · Physics 2026-05-12 Ken Deng , Xiangfei Wang , Guijing Duan , Chen Mo , Junkun Huang , Runqing Zhang , Ling Qian , Zhiguo Huang , Jize Han , Di Luo

The rapid progress of generative AI has enabled increasingly realistic text-centric image forgeries, posing major challenges to document safety. Existing forensic methods mainly rely on visual cues and lack evidence-based reasoning to…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Fanwei Zeng , Changtao Miao , Jing Huang , Zhiya Tan , Shutao Gong , Xiaoming Yu , Yang Wang , Weibin Yao , Joey Tianyi Zhou , Jianshu Li , Yin Yan

Vision-Language Models (VLMs) show promise for autonomous driving, yet their struggle with hallucinations, inefficient reasoning, and limited real-world validation hinders accurate perception and robust step-by-step reasoning. To overcome…

Advancements in Large Language Models (LLMs) are revolutionizing the development of autonomous agentic systems by enabling dynamic, context-aware task decomposition and automated tool selection. These sophisticated systems possess…

Artificial Intelligence · Computer Science 2024-10-31 Adrian Garret Gabriel , Alaa Alameer Ahmad , Shankar Kumar Jeyakumar

Large language models (LLMs) have demonstrated strong potential in long-horizon decision-making tasks, such as embodied manipulation and web interaction. However, agents frequently struggle with endless trial-and-error loops or deviate from…

Artificial Intelligence · Computer Science 2026-04-06 Bin Wen , Ruoxuan Zhang , Yang Chen , Hongxia Xie , Lan-Zhe Guo

Large language models (LLMs) are increasingly used to automate scientific workflows, yet their integration with heterogeneous computational tools remains ad hoc and fragile. Current agentic approaches often rely on unstructured text to…

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

Artificial Intelligence · Computer Science 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

The prevailing paradigm in AI for physical systems (scaling general-purpose foundation models toward universal multimodal reasoning) confronts a fundamental barrier at the control interface. Recent benchmarks show that even frontier…

Artificial Intelligence · Computer Science 2026-05-21 Yoon Pyo Lee , Samrendra Roy , Jay Yoo , Kazuma Kobayashi , Sajedul Talukder , Seid Koric , Souvik Chakraborty , Syed Bahauddin Alam

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

The rapid integration of Large Language Models (LLMs) into high-stakes domains necessitates reliable safety and compliance evaluation. However, existing static benchmarks are ill-equipped to address the dynamic nature of AI risks and…

Artificial Intelligence · Computer Science 2026-05-15 Yixu Wang , Xin Wang , Yang Yao , Xinyuan Li , Xibang Yang , Yan Teng , Xingjun Ma , Yingchun Wang

Quantum computing promises to revolutionize many-body simulations for quantum chemistry, but its potential is constrained by limited qubits and noise in current devices. In this work, we introduce the Lossy Quantum Selected Configuration…

Quantum Physics · Physics 2025-09-17 Yu-cheng Chen , Ronin Wu , M. H. Cheng , Min-Hsiu Hsieh

As Large Language Model (LLM) based Multi-Agent Systems (MAS) evolve from experimental pilots to complex, persistent ecosystems, the limitations of direct agent-to-agent communication have become increasingly apparent. Current architectures…

Multiagent Systems · Computer Science 2026-05-29 Charles Fleming , Guillaume De Saint Marc , Ramana Kompella , Peter Bosch , Vijoy Pandey