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Synthetic data has become increasingly important for training large language models, especially when real data is scarce, expensive, or privacy-sensitive. Many such generation tasks require coordinated multi-agent workflows, where…

The engineering design process often demands expertise from multiple domains, leading to complex collaborations and iterative refinements. Traditional methods can be resource-intensive and prone to inefficiencies. To address this, we…

Artificial Intelligence · Computer Science 2026-01-01 Varun Kumar , George Em Karniadakis

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

Current approaches to AI agent orchestration typically involve building multi-agent frameworks that manage context passing, memory, error handling, and step coordination through code. These frameworks work well for complex, concurrent…

Artificial Intelligence · Computer Science 2026-03-19 Jake Van Clief , David McDermott

Automating scientific computing workflows requires more than generating executable code: autonomous systems must also select appropriate computational strategies, implement them faithfully, and ensure that the resulting outcomes remain…

Artificial Intelligence · Computer Science 2026-05-29 Geremy Loachamín-Suntaxi , Robert Lazar , Dimitrios G. Giovanis , Ioannis G. Kevrekidis , Eleni D. Koronaki

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Much of the alignment tuning literature is organized around optimization objectives, while the construction of alignment data is often treated implicitly. In this survey, we adopt a data centric perspective and reframe alignment tuning as a…

Computation and Language · Computer Science 2026-05-27 Hwanjun Song

The integration of Artificial Intelligence (AI) with High-Performance Computing (HPC) is transforming scientific workflows from human-directed pipelines into adaptive systems capable of autonomous decision-making. Large language models…

Large language model (LLM)-based agents are increasingly used to perform complex, multi-step workflows in regulated settings such as compliance and due diligence. However, many agentic architectures rely primarily on prompt engineering of a…

Artificial Intelligence · Computer Science 2026-02-03 Ananya Joshi , Michael Rudow

The increasing complexity of user demands necessitates automation frameworks that can reliably translate open-ended instructions into robust, multi-step workflows. Current monolithic agent architectures often struggle with the challenges of…

Computation and Language · Computer Science 2026-03-23 Eslam Reda , Maged Yasser , Sara El-Metwally

Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate,…

Databases · Computer Science 2026-03-06 Arnab Phani , Elias Strauss , Sebastian Schelter

Many workflows in high-energy-physics (HEP) stand to benefit from recent advances in transformer-based large language models (LLMs). While early applications of LLMs focused on text generation and code completion, modern LLMs now support…

High Energy Physics - Phenomenology · Physics 2025-12-19 Tony Menzo , Alexander Roman , Sergei Gleyzer , Konstantin Matchev , George T. Fleming , Stefan Höche , Stephen Mrenna , Prasanth Shyamsundar

Data Pipeline plays an indispensable role in tasks such as modeling machine learning and developing data products. With the increasing diversification and complexity of Data sources, as well as the rapid growth of data volumes, building an…

Machine Learning · Computer Science 2024-02-21 Jiang Wu , Hongbo Wang , Chunhe Ni , Chenwei Zhang , Wenran Lu

Remarkable progress has been made on automated problem solving through societies of agents based on large language models (LLMs). Existing LLM-based multi-agent systems can already solve simple dialogue tasks. Solutions to more complex…

Learning to autonomously execute long-horizon procedures from natural language remains a core challenge for intelligent agents. Free-form instructions such as recipes, scientific protocols, or business workflows encode rich procedural…

Artificial Intelligence · Computer Science 2025-10-14 Deepeka Garg , Sihan Zeng , Annapoorani L. Narayanan , Sumitra Ganesh , Leo Ardon

Agentic AI enables LLM to dynamically reason, plan, and interact with tools to solve complex tasks. However, agentic workflows often require many iterative reasoning steps and tool invocations, leading to significant operational expense,…

Artificial Intelligence · Computer Science 2026-02-03 Sami Abuzakuk , Anne-Marie Kermarrec , Rishi Sharma , Rasmus Moorits Veski , Martijn de Vos

Building and deploying machine learning solutions in healthcare remains expensive and labor-intensive due to fragmented preprocessing workflows, model compatibility issues, and stringent data privacy constraints. In this work, we introduce…

Artificial Intelligence · Computer Science 2025-07-25 Soorya Ram Shimgekar , Shayan Vassef , Abhay Goyal , Navin Kumar , Koustuv Saha

Industries such as finance, meteorology, and energy generate vast amounts of data daily. Efficiently managing, processing, and displaying this data requires specialized expertise and is often tedious and repetitive. Leveraging large…

Computation and Language · Computer Science 2025-05-20 Wenqi Zhang , Yongliang Shen , Zeqi Tan , Guiyang Hou , Weiming Lu , Yueting Zhuang

The design and development of effective drug formulations is a critical process in pharmaceutical research, particularly for small molecule active pharmaceutical ingredients. This paper introduces a novel agentic preformulation pathway…

Chemical Physics · Physics 2025-03-24 Julius Lange , Leonid Komissarov , Nicole Wyttenbach , Andrea Anelli

Automated Machine Learning (AutoML) has been used successfully in settings where the learning task is assumed to be static. In many real-world scenarios, however, the data distribution will evolve over time, and it is yet to be shown…

Machine Learning · Computer Science 2022-12-08 Bilge Celik , Prabhant Singh , Joaquin Vanschoren