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We present MOSAIC, a multi-agent Large Language Model (LLM) framework for solving challenging scientific coding tasks. Unlike general-purpose coding, scientific workflows require algorithms that are rigorous, interconnected with deep domain…

Computation and Language · Computer Science 2026-05-05 Siddeshwar Raghavan , Tanwi Mallick

Agentic systems are modern software systems: they consist of orchestrated modules, expose interfaces, and are deployed in software pipelines. Unlike conventional programs, their execution, i.e., trajectories, is inherently stochastic and…

Software Engineering · Computer Science 2026-04-14 Shuyang Liu , Yang Chen , Rahul Krishna , Saurabh Sinha , Jatin Ganhotra , Reyhan Jabbarvand

The increasing complexity of modern chemical processes, coupled with workforce shortages and intricate fault scenarios, demands novel automation paradigms that blend symbolic reasoning with adaptive control. In this work, we introduce a…

Artificial Intelligence · Computer Science 2025-07-11 Javal Vyas , Mehmet Mercangoz

AI-based systems, currently driven largely by LLMs and tool-using agentic harnesses, are increasingly discussed as a possible threat to software engineering. Foundation models get stronger, agents can plan and act across multiple steps, and…

Software Engineering · Computer Science 2026-04-24 Robert Feldt , Per Lenberg , Julian Frattini , Dhasarathy Parthasarathy

In order to flexibly act in an everyday environment, a robotic agent needs a variety of cognitive capabilities that enable it to reason about plans and perform execution recovery. Large language models (LLMs) have been shown to demonstrate…

Robotics · Computer Science 2026-03-04 Shinas Shaji , Fabian Huppertz , Alex Mitrevski , Sebastian Houben

Large language models (LLMs) exhibit strong symbolic and compositional reasoning, yet they struggle with time series question answering as the data is typically transformed into an LLM-compatible modality, e.g., serialized text, plotted…

Artificial Intelligence · Computer Science 2026-04-08 Penghang Liu , Elizabeth Fons , Annita Vapsi , Mohsen Ghassemi , Svitlana Vyetrenko , Daniel Borrajo , Vamsi K. Potluru , Manuela Veloso

Memory emerges as the core module in the Large Language Model (LLM)-based agents for long-horizon complex tasks (e.g., multi-turn dialogue, game playing, scientific discovery), where memory can enable knowledge accumulation, iterative…

There are two main barriers to using large language models (LLMs) in clinical reasoning. Firstly, while LLMs exhibit significant promise in Natural Language Processing (NLP) tasks, their performance in complex reasoning and planning falls…

Artificial Intelligence · Computer Science 2024-12-31 Shengxin Hong , Liang Xiao , Xin Zhang , Jianxia Chen

Quantum chemistry calculations are a key component of the materials discovery process. The results from first-principles explorations enable the prediction of material properties prior to experimental validation. Despite their impact, the…

Large Language Model (LLM)-based agents that plan, use tools and act has begun to shape healthcare and medicine. Reported studies demonstrate competence on various tasks ranging from EHR analysis and differential diagnosis to treatment…

Artificial Intelligence · Computer Science 2026-02-05 Shubham Vatsal , Harsh Dubey , Aditi Singh

We propose LEO-RobotAgent, a general-purpose language-driven intelligent agent framework for robots. Under this framework, LLMs can operate different types of robots to complete unpredictable complex tasks across various scenarios. This…

Robotics · Computer Science 2026-04-16 Lihuang Chen , Xiangyu Luo , Jun Meng

As Large Language Models (LLMs) continue to be increasingly applied across various domains, their widespread adoption necessitates rigorous monitoring to prevent unintended negative consequences and ensure robustness. Furthermore, LLMs must…

Computation and Language · Computer Science 2025-07-09 Seshu Tirupathi , Dhaval Salwala , Elizabeth Daly , Inge Vejsbjerg

Skill ecosystems for LLM agents have matured rapidly, yet recent benchmarks show that providing agents with more skills does not monotonically improve performance -- focused sets of 2-3 skills outperform comprehensive documentation, and…

Computation and Language · Computer Science 2026-04-21 Tianle Xia , Lingxiang Hu , Yiding Sun , Ming Xu , Lan Xu , Siying Wang , Wei Xu , Jie Jiang

Multi-agent systems built on Large Language Models (LLMs) show exceptional promise for complex collaborative problem-solving, yet they face fundamental challenges stemming from context window limitations that impair memory consistency, role…

Artificial Intelligence · Computer Science 2026-01-13 Sizhe Yuen , Francisco Gomez Medina , Ting Su , Yali Du , Adam J. Sobey

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Recent advances in large language models (LLMs) and autonomous agents have enabled systems capable of performing complex tasks across domains such as human-computer interaction, planning, and web navigation. However, many existing…

Artificial Intelligence · Computer Science 2025-07-22 Hongyi Yang , Yue Pan , Jiayi Xu , Kelsen Liu

Large Language Model (LLM)-based code analysis tools are adopted to automate software documentation tasks. However, the scalability of these approaches to real codebases, where Intermediate Representations (IR) exceed LLM context limits,…

Software Engineering · Computer Science 2026-05-26 Alin-Gabriel Văduva , Anca-Ioana Andreescu , Simona-Vasilica Oprea , Adela Bâra

Large Language Model (LLM)-based agents are widely used in real-world applications such as customer service, web navigation, and software engineering. As these systems become more autonomous and are deployed at scale, understanding why an…

Artificial Intelligence · Computer Science 2026-02-06 Chen Qian , Peng Wang , Dongrui Liu , Junyao Yang , Dadi Guo , Ling Tang , Jilin Mei , Qihan Ren , Shuai Shao , Yong Liu , Jie Fu , Jing Shao , Xia Hu

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

In this paper, we present NEMO, a system that translates Natural-language descriptions of decision problems into formal Executable Mathematical Optimization implementations, operating collaboratively with users or autonomously. Existing…

Artificial Intelligence · Computer Science 2026-01-30 Yang Song , Anoushka Vyas , Zirui Wei , Sina Khoshfetrat Pakazad , Henrik Ohlsson , Graham Neubig
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