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Code generation aims to produce code that fulfills requirements written in natural languages automatically. Large language Models (LLMs) like ChatGPT have demonstrated promising effectiveness in this area. Nonetheless, these LLMs often fail…

Software Engineering · Computer Science 2025-01-15 Ruwei Pan , Hongyu Zhang , Chao Liu

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational…

The introduction of large language models ignited great retooling and rethinking of the software development models. The ensuing response of software engineering research yielded a massive body of tools and approaches. In this paper, we…

Software Engineering · Computer Science 2026-02-05 Marian Kica , Lukas Radosky , David Slivka , Karin Kubinova , Daniel Dovhun , Tomas Uhercik , Erik Bircak , Ivan Polasek

Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over…

Machine Learning · Computer Science 2026-03-18 Weihua Du , Hailei Gong , Zhan Ling , Kang Liu , Lingfeng Shen , Xuesong Yao , Yufei Xu , Dingyuan Shi , Yiming Yang , Jiecao Chen

Computer-Aided Design (CAD) is an expert-level task that relies on long-horizon reasoning and coherent modeling actions. Large Language Models (LLMs) have shown remarkable advancements in enabling language agents to tackle real-world tasks.…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Yifei Gong , Xing Wu , Wenda Liu , Kang Tu

Agentic AI shifts LLM serving from isolated prompt-generation requests to stateful, multi-turn executions that repeatedly invoke the model, call tools, and grow context over time. This paper characterizes ReAct-style agents from both the…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-27 Yichao Yuan , Ankita Nayak , Souvik Kundu , Nishil Talati

Large language models (LLMs) have made rapid advancements in code generation for popular languages such as Python and C++. Many of these recent gains can be attributed to the use of ``agents'' that wrap domain-relevant tools alongside LLMs.…

Hardware Architecture · Computer Science 2026-03-31 Patrick Yubeaton , Siddharth Garg , Chinmay Hegde

Multi-agent systems, where multiple agents (generative AI models + tools) collaborate, are emerging as an effective pattern for solving long-running, complex tasks in numerous domains. However, specifying their parameters (such as models,…

Software Engineering · Computer Science 2024-08-29 Victor Dibia , Jingya Chen , Gagan Bansal , Suff Syed , Adam Fourney , Erkang Zhu , Chi Wang , Saleema Amershi

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

Recent advances in large language model (LLM) have empowered autonomous agents to perform multi-turn interactions with tools and environments. However, scaling such agent training is limited by the lack of diverse and reliable environments.…

Artificial Intelligence · Computer Science 2026-05-26 Zhaoyang Wang , Canwen Xu , Boyi Liu , Yite Wang , Siwei Han , Zhewei Yao , Huaxiu Yao , Yuxiong He

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language…

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

The rise of large language models (LLMs) has sparked a surge of interest in agents, leading to the rapid growth of agent frameworks. Agent frameworks are software toolkits and libraries that provide standardized components, abstractions,…

Software Engineering · Computer Science 2025-12-02 Yanlin Wang , Xinyi Xu , Jiachi Chen , Tingting Bi , Wenchao Gu , Zibin Zheng

Computer-aided design (CAD) is a promising application area for emerging artificial intelligence methods. Traditional workflows for cyberphysical systems create detailed digital models which can be evaluated by physics simulators in order…

Machine Learning · Computer Science 2025-04-15 Colin Samplawski , Adam D. Cobb , Susmit Jha

Recent work explores agentic inference-time techniques to perform structured, multi-step reasoning. However, stateless inference often struggles on multi-step tasks due to the absence of persistent state. Moreover, task-specific fine-tuning…

Machine Learning · Computer Science 2025-10-09 Arshika Lalan , Rajat Ghosh , Aditya Kolsur , Debojyoti Dutta

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

Computation and Language · Computer Science 2024-08-06 Wenbei Xie , Donglin Liu , Haoran Yan , Wenjie Wu , Zongyang Liu

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

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction…

Artificial Intelligence · Computer Science 2025-10-22 Abhigya Verma , Seganrasan Subramanian , Nandhakumar Kandasamy , Naman Gupta

Recent progress in large language models (LLMs) has enabled tool-augmented agents capable of solving complex real-world tasks through step-by-step reasoning. However, existing evaluations often focus on general-purpose or multimodal…