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Multi-objective retrosynthesis planning is a critical chemistry task requiring dynamic balancing of quality, safety, and cost objectives. Language model-based multi-agent systems (MAS) offer a promising approach for this task: leveraging…

Artificial Intelligence · Computer Science 2026-04-08 Frazier N. Baker , Trieu Nguyen , Reza Averly , Botao Yu , Daniel Adu-Ampratwum , Huan Sun , Xia Ning

Training large language models (LLMs) to reason via reinforcement learning (RL) significantly improves their problem-solving capabilities. In agentic settings, existing methods like ReAct prompt LLMs to explicitly plan before every action;…

Agentic retrieval-augmented reasoning pipelines are increasingly used to structure how large language models (LLMs) incorporate external evidence in clinical decision support. These systems iteratively retrieve curated domain knowledge and…

The creation of high-quality datasets to improve Large Language Model (LLM) reasoning remains a significant challenge, as current methods often suffer from generating low-quality/incorrect answers and limited information richness from…

Computation and Language · Computer Science 2026-01-09 Xianyang Liu , Yilin Liu , Shuai Wang , Hao Cheng , Andrew Estornell , Yuzhi Zhao , Jun Shu , Jiaheng Wei

Large language models (LLMs) are increasingly expected to tackle complex tasks, driven by their expanding applications and users' growing proficiency in crafting sophisticated prompts. However, as the number of explicitly stated…

While Large Language Models (LLMs) have achieved remarkable success in code generation, they often struggle with the deep, long-horizon reasoning required for complex software engineering. We attribute this limitation to the nature of…

Large language models (LLMs) excel at rapid generation of text and multimodal content, yet they falter on transaction-style planning that demands ACID-like guarantees and real-time disruption recovery. We present Adaptive LLM Agent System…

Artificial Intelligence · Computer Science 2025-05-20 Edward Y. Chang , Longling Geng

With increasing urban traffic complexity, Traffic Signal Control (TSC) is essential for optimizing traffic flow and improving road safety. Large Language Models (LLMs) emerge as promising approaches for TSC. However, they are prone to…

Artificial Intelligence · Computer Science 2025-10-31 Xinhang Li , Qing Guo , Junyu Chen , Zheng Guo , Shengzhe Xu , Lei Li , Lin Zhang

Large language models (LLMs), initially developed for generative AI, are now evolving into agentic AI systems, which make decisions in complex, real-world contexts. Unfortunately, while their generative capabilities are well-documented,…

Artificial Intelligence · Computer Science 2026-04-02 Matthew DosSantos DiSorbo , Harang Ju , Sinan Aral

Recent Large Language Models (LLMs) such as OpenAI o3-mini and DeepSeek-R1 use enhanced reasoning through Chain-of-Thought (CoT). Their potential in hardware design, which relies on expert-driven iterative optimization, remains unexplored.…

Artificial Intelligence · Computer Science 2025-04-15 Luca Collini , Andrew Hennessee , Ramesh Karri , Siddharth Garg

Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…

Software Engineering · Computer Science 2026-01-21 Yongjian Tang , Thomas Runkler

Convex analysis is a modern branch of mathematics with many applications. As Large Language Models (LLMs) start to automate research-level math and sciences, it is important for LLMs to demonstrate the ability to understand and reason with…

Artificial Intelligence · Computer Science 2026-02-05 Yepeng Liu , Yu Huang , Yu-Xiang Wang , Yingbin Liang , Yuheng Bu

Answering complex natural language questions often necessitates multi-step reasoning and integrating external information. Several systems have combined knowledge retrieval with a large language model (LLM) to answer such questions. These…

The rapid development of large language model (LLM)-based agents has unlocked new possibilities for autonomous multi-turn reasoning and tool-augmented decision-making. However, their real-world deployment is hindered by severe…

Large Reasoning Language Models (LRLMs or LRMs) demonstrate remarkable capabilities in complex reasoning tasks, but suffer from significant computational inefficiencies due to overthinking phenomena. Existing efficient reasoning methods…

Artificial Intelligence · Computer Science 2025-10-13 Dongqi Zheng

Automatic diagnosis is a significant application of AI in healthcare, where diagnoses are generated based on the symptom description of patients. Previous works have approached this task directly by modeling the relationship between the…

Computation and Language · Computer Science 2024-01-30 Haochun Wang , Sendong Zhao , Zewen Qiang , Nuwa Xi , Bing Qin , Ting Liu

Providing timely, consistent, and high-quality feedback in large-scale higher education courses remains a persistent challenge, often constrained by instructor workload and resource limitations. This study presents an LLM-powered, agentic…

Computers and Society · Computer Science 2026-01-13 Reza Vatankhah Barenji , Nazila Salimi , Sina Khoshgoftar

With the rise of LLMs, there is an increasing need for intelligent recommendation assistants that can handle complex queries and provide personalized, reasoning-driven recommendations. LLM-based recommenders show potential but face…

Information Retrieval · Computer Science 2026-04-10 Jiani Huang , Shijie Wang , Liangbo Ning , Wenqi Fan , Qing Li

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

Software issue resolution aims to address real-world issues in software repositories (e.g., bug fixing and efficiency optimization) based on natural language descriptions provided by users, representing a key aspect of software maintenance.…

Software Engineering · Computer Science 2025-12-30 Zhonghao Jiang , David Lo , Zhongxin Liu