Scientific Workflow Automation

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Overview

The field connects research goals to executable sequences of data processing, analysis, simulation, and laboratory operations. Approaches include workflow engines and directed acyclic graphs, LLM-based planning and multi-agent systems, typed tools and domain-specific languages, and deterministic checks for execution, safety, and provenance. These methods increasingly automate bounded tasks across fields such as biology, materials science, climate research, and imaging, often with human review at key decisions. Reliable end-to-end work remains difficult: agents can produce plausible plans or code yet miss silent scientific errors, while designers must balance flexible reasoning with reproducibility and human oversight.

Latest papers

CardsList

161 papers12 papers in the last four weeks, down 14% on the four weeks before. 0.1% of all new papers.

  1. NeuroClaw Technical Report

    Apr 27, 2026Cheng Wang, Zhibin He, Zhihao Peng +7Multi-Agent LLM SystemsAI Agent Benchmarks

    Electronic Engineering Department, The Chinese University of Hong Kong, China · School of Electronic Information, Northwest University, China · Department of Computer Science, Emory University, Atlanta, GA, USA +3

  2. TSAssistant: A Human-in-the-Loop Agentic Framework for Automated Target Safety Assessment

    Apr 27, 2026Xiaochen Zheng, Zhiwen Jiang, David Tokar +5LLM Agent OrchestrationHuman-in-the-Loop AI

    Predictive Modelling, Roche, Basel, Switzerland · Computational Sciences Center of Excellence, Roche, Basel, Switzerland · Translational Safety, Roche, Basel, Switzerland

  3. Vibe Medicine: Redefining Biomedical Research Through Human-AI Co-Work

    Apr 26, 2026Zihao Wu, Steven Xu, Bowen Chen +8HealthcareAI-Assisted Scientific Research

    School of Computing University of Georgia Athens GA 30602 USA · Department of Biomedical Engineering New Jersey Institute of Technology Newark NJ 07102 USA · Department of Computer Science and Engineering University of Texas at Arlington Arlington TX 76019 USA

  4. No Test Cases, No Problem: Distillation-Driven Code Generation for Scientific Workflows

    Apr 25, 2026Siddeshwar Raghavan, Tanwi MallickMulti-Agent LLM SystemsCode Generation

    Purdue University · Electrical and Computer Engineering · West Lafayette, USA +3

  5. From Research Question to Scientific Workflow: Leveraging Agentic AI for Science Automation

    Apr 23, 2026Bartosz Balis, Michal Orzechowski, Piotr Kica +2Agentic WorkflowsScientific Workflow Automation

    AGH University of Krakow, Krakow, Poland · Sano Centre for Computational Medicine, Krakow, Poland

  6. Biomedical systems biology workflow orchestration and execution with PoSyMed

    Apr 21, 2026Simon Süwer, Zoe Chervontseva, Kester Bagemihl +3Scientific ReproducibilityScientific Workflow Automation

    Institute for Computational Systems Biomedicine, University of Hamburg, Hamburg, Germany · Department for Mathematics and Computer Science, University of Southern Denmark, Odense, Denmark · Faculty of Science, Computer Science, Vrije Universiteit Amsterdam, Amsterdam, Netherlands

  7. ChemGraph-XANES: An Agentic Framework for XANES Simulation and Curation

    Apr 17, 2026Vitor F. Grizzi, Thang Duc Pham, Luke N. Pretzie +3Scientific Workflow AutomationComputational Materials Science

    Chemical Sciences and Engineering Division Argonne National Laboratory, Lemont, IL 60439, USA · Computational Science Division Argonne National Laboratory, Lemont, IL 60439, USA

  8. Are Researchers Being Replaced by Artificial Intelligence?

    Apr 14, 2026Angelo A. Salatino, Ansgar Scherp, Christin Katharina Kreutz +1AI and LaborHuman-AI Collaboration

    Knowledge Media Institute, The Open University, UK · Ulm University, Germany · TH Mittelhessen – University of Applied Sciences, Germany +1

  9. SciFi: A Safe, Lightweight, User-Friendly, and Fully Autonomous Agentic AI Workflow for Scientific Applications

    Apr 14, 2026Qibin Liu, Julia GonskiAgentic WorkflowsScientific Workflow Automation

    SLAC National Accelerator Laboratory, 2575 Sand Hill Rd, Menlo Park CA 94025 USA

  10. From Intent to AI Pipelines: A Controlled Agentic Framework for Non-AI Expert Scientists

    Apr 10, 2026Hyacinth Ali, Jessie Galasso-Carbonnel, Houari SahraouiAI-Assisted Scientific ResearchAgentic Workflows

    University of Montreal, Montreal, Canada · McGill University, Montreal, Canada

  11. Multi-Agent Orchestration for High-Throughput Materials Screening on a Leadership-Class System

    Apr 9, 2026Thang Duc Pham, Harikrishna Tummalapalli, Fakhrul Hasan Bhuiyan +5Multi-Agent OrchestrationScientific Workflow Automation

    Computational Science (CPS) Division, Argonne National Laboratory, Lemont IL 60439, USA · Argonne Leadership Computing Facility (ALCF), Argonne National Laboratory, Lemont IL 60439, USA

  12. MVOS_HSI: A Python Library for Preprocessing Agricultural Crop Hyperspectral Data

    Apr 8, 2026Rishik Aggarwal, Krisha Joshi, Pappu Kumar Yadav +3Scientific Workflow AutomationHyperspectral Imaging

    Machine Vision and Optical Sensor (MVOS) Lab, Dept. of Agricultural and Biosystems Engineering, South Dakota State University, Brookings, SD 57007, USA · USDA/ARS Environmental Microbial and Food Safety Laboratory, Beltsville, MD 20705, USA · Department of Agricultural and Biological Engineering, University of Florida, Gainesville, FL 32611, USA

  13. meta-pipe: An LLM-agent pipeline for end-to-end automated systematic review and meta-analysis

    Apr 5, 2026Hsieh-Ting Lin, Jiunn-Tyng YehSystematic Review AutomationAI-Assisted Scientific Research

    Koo Foundation Sun Yat-Sen Cancer Center, Department of Oncology, Taipei, Taiwan · Duke Institute for Health Innovation, Durham, NC, USA

  14. BibTeX Citation Errors in Scientific Publishing Agents: Evaluation and Mitigation

    Apr 3, 2026Delip Rao, Chris Callison-BurchCitation VerificationLLM Reliability

    University of Pennsylvania

  15. Exploring Robust Multi-Agent Workflows for Environmental Data Management

    Apr 2, 2026Boyuan Guan, Jason Liu, Yanzhao Wu +1Multi-Agent LLM SystemsLLM Agent Reliability

    Florida International University, Miami, Florida, United States

  16. BloClaw: An Omniscient, Multi-Modal Agentic Workspace for Next-Generation Scientific Discovery

    Apr 1, 2026Yao Qin, Yangyang Yan, Jinhua Pang +1AI Agents for Scientific DiscoveryAI for Science

    AI Innovation Department, Beijing 1st Biotech Group Co., Ltd. · Diplomatic Negotiation Simulation and Data Lab · First Medical Center, Chinese PLA General Hospital, No. 28 Fuxing Road, Haidian District, Beijing, China

  17. AI-assisted Human-in-the-Loop Web Platform for Structural Characterization in Hard drive design

    Apr 1, 2026Utkarsh Pratiush, Huaixun Huyan, Maryam Zahiri Azar +4Microscopy Image AnalysisScientific Workflow Automation

    Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996, USA · Western Digital corporation, 5601 Great Oaks Parkway, San Jose, CA 95119, USA

  18. An Artifact-based Agent Framework for Adaptive and Reproducible Medical Image Processing

    Mar 31, 2026Lianrui Zuo, Yihao Liu, Gaurav Rudravaram +15Agentic WorkflowsScientific Workflow Automation

    Dept. of Electrical and Computer Engineering, Vanderbilt University, Nashville, TN, USA · Dept. of Computer Science, Vanderbilt University, Nashville, TN, USA · Dept. of Surgery, Vanderbilt University Medical Center, Nashville, TN, USA +10

  19. Scalable AI-assisted Workflow Management for Detector Design Optimization Using Distributed Computing

    Mar 31, 2026Derek Anderson, Amit Bashyal, Markus Diefenthaler +13AI for ScienceScientific Workflow Automation

    Thomas Jefferson National Accelerator Facility, Newport News, Virginia, USA · Brookhaven National Laboratory, Upton, New York, USA · William & Mary, Williamsburg, Virginia, USA +3

  20. Owl-AuraID 1.0: An Intelligent System for Autonomous Scientific Instrumentation and Scientific Data Analysis

    Mar 31, 2026Han Deng, Anqi Zou, Hanling Zhang +14Laboratory AutomationScientific Workflow Automation

    Shenzhen Loop Area Institute, Shenzhen, China. · The Chinese University of Hong Kong, Hong Kong. · Dalian University of Technology, Dalian, China. +2

  21. Towards End-to-End Automation of AI Research

    Mar 31, 2026Yutaro Yamada, Robert Tjarko Lange, Cong Lu +5AI-Assisted Scientific ResearchAutonomous Scientific Discovery

    Sakana AI, Tokyo, Japan · University of British Columbia, Vancouver, Canada · Vector Institute, Toronto, Canada +1

  22. SimMOF: AI agent for Automated MOF Simulations

    Mar 31, 2026Jaewoong Lee, Taeun Bae, Jihan KimScientific Workflow AutomationMaterials Science

    Department of chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea

  23. Evaluating AI-based Scientific Knowledge Synthesis with Epidemiological Systematic Reviews

    Mar 20, 2026Shreyansh Padarha, Ryan Othniel Kearns, Tristan Naidoo +13Systematic Review AutomationLLM Evaluation

    University of Oxford · Imperial College London · University of Nottingham +2

  24. Competing with AI Scientists: Agent-Driven Approach to Astrophysics Research

    Mar 18, 2026Thomas Borrett, Licong Xu, Andy Nilipour +7Scientific Workflow AutomationAutonomous Research Agents

    Cavendish Astrophysics, University of Cambridge, Madingley Road, Cambridge CB3 0HA, UK · Kavli Institute for Cosmology, University of Cambridge, Madingley Road, Cambridge CB3 0HA, UK · Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA, UK +4

  25. Agentic workflow enables the recovery of critical materials from complex feedstocks via selective precipitation

    Mar 16, 2026Andrew Ritchhart, Sarah I. Allec, Pravalika Butreddy +5Materials ScienceScientific Workflow Automation

    Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354, United States. · Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Seattle, Washington 98109, United States. · Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, United States.

  26. Using a Human-AI Teaming Approach to Create and Curate Scientific Datasets with the SCILIRE System

    Mar 13, 2026Necva Bölücü, Jessica Irons, Changhyun Lee +5LLM Information ExtractionScientific Workflow Automation

    CSIRO, Sydney, Australia · ITIS, University of Málaga, Málaga, Spain

  27. Design of a Robot-Assisted Chemical Dialysis System

    Mar 10, 2026Diane Jung, Caleb Escobedo, Noah Liska +4Laboratory AutomationScientific Workflow Automation

    University of Colorado at Boulder, Boulder, CO, USA · University of North Carolina at Chapel Hill, Chapel Hill, NC, USA

  28. Supporting Workflow Reproducibility by Linking Bioinformatics Tools across Papers and Executable Code

    Mar 9, 2026Clémence Sebe, Olivier Ferret, Aurélie Névéol +3Entity ResolutionScientific Reproducibility

    Universit´e Paris-Saclay, CNRS, Laboratoire Interdisciplinaire des Sciences du Num´erique, 91400, Orsay, France · Universit´e Paris-Saclay, CEA, List, F-91120, Palaiseau, France · Department of Computer Science, Humboldt-Universität zu Berlin, 10099, Berlin, Germany +1

  29. AI Agents, Language, Deep Learning and the Next Revolution in Science

    Mar 9, 2026Ke Li, Beijiang Liu, Bruce Mellado +2AI Agents for Scientific DiscoveryHuman-in-the-Loop AI

    Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China · University of Chinese Academy of Sciences, Beijing 100049, China · School of Physics and Institute for Collider Particle Physics, University of the Witwatersrand, Johannesburg, Wits 2050, South Africa

  30. Animating Petascale Time-varying Data on Commodity Hardware with LLM-assisted Scripting

    Mar 7, 2026Ishrat Jahan Eliza, Xuan Huang, Aashish Panta +4Scientific VisualizationData Visualization

    University of Utah · Vanderbilt University · ViSOAR LLC