G08 · TOPIC · ai-and-scientific-workflowsGCRI dossier · service level R0
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Topic dossier · Nexus Labs

AI in scientific workflows

Machine learning now enters science at every step: screening literature, designing experiments, analysing images and sequences, emulating simulations and drafting text. Each use can speed discovery and each can introduce errors that look like findings. This page sets out how models are evaluated for scientific use, where leakage, benchmark overfitting and silent drift arise, and what evidence editors, funders and regulators need before they rely on a model-assisted result.

Systems · around this subjectDesign, not a record

Testbed operations

AI in scientific workflows · Field lab coast · Campaign 5

Sensors deployedGCRI · Nexus Labs

Sensor deployment

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BuoyStationGaugeSeaBands: tidal rangeN

Sensors

S-01 tide940.0Nominal
S-04 salinity760.4Recalibrate
S-07 wave950.1Nominal

Sensor vs reference

Testbed operations: the screen's structure, terms and states for AI in scientific workflows.Placeholder names and illustrative values; a design, not a record or a live system.

Fig.Testbed operations. Design wireframe with placeholder names and illustrative values, not a record or a live system.

01In brief

The short answer.

AI in scientific research is the use of machine learning to screen literature, design experiments, analyse images and sequences, emulate simulations and draft text. Each use can speed discovery and each can introduce errors that look like findings, through data leakage, overfitted benchmarks, drift or fabricated references.

02Geography

Connected activity in World.

For ai and scientific workflows, in GCRI's spatial-intelligence reading, the map opens on true-colour imagery, night lights and population density with true colour from NASA GIBS, framed on World; every other NASA layer, live feed and forecast waits in the layer list.

The interactive map needs JavaScript; the layer list and sources are below.

Layers 3

Connected activity, for this page

Latest available

NASA GIBS / EOSDIS · ASTER GDEM (METI, NASA) · Blue Marble (NASA) · © OpenStreetMap contributors (ODbL) · Natural Earth

Loading the latest NASA imagery.

Drag to move. Ctrl or ⌘ and scroll, pinch or the buttons to zoom; hover for the values under the pointer; reset returns to the region.

For ai and scientific workflows, in GCRI's spatial-intelligence reading, the map opens on true-colour imagery, night lights and population density with true colour from NASA GIBS, framed on World; every other NASA layer, live feed and forecast waits in the layer list.Satellite and model products as NASA publishes them, each with its own date; indicators, not assessments of any place; claim ceiling INTEGRATED.

Data: NASA GIBS · ASTER GDEM · Blue Marble · © OpenStreetMap contributors · Natural Earth · Copernicus Sentinel-2 L2A · NASA HLS S30Sources and licences

  • We acknowledge the use of imagery provided by services from NASA's Global Imagery Browse Services (GIBS), part of NASA's Earth Science Data and Information System (ESDIS). Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). NASA open data
  • We acknowledge the use of imagery provided by services from NASA's Global Imagery Browse Services (GIBS), part of NASA's Earth Science Data and Information System (ESDIS). Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). NASA open data
  • VIIRS near-real-time products (flood, land surface temperature, snow cover, corrected reflectance), NASA LANCE; imagery via NASA GIBS. Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). NASA open data
  • VIIRS Black Marble night-time lights, NASA Goddard Space Flight Center; distributed by the NASA Level-1 and Atmosphere Archive and Distribution System (LAADS DAAC); imagery via NASA GIBS. Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). NASA open data
  • Center for International Earth Science Information Network (CIESIN), Columbia University. 2018. Gridded Population of the World, Version 4 (GPWv4): Population Density, Revision 11. NASA Socioeconomic Data and Applications Center (SEDAC). Licensed under CC BY 4.0. Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). CC BY 4.0
  • MODIS land products (vegetation indices, gross primary production, land cover), NASA LP DAAC and LANCE; imagery via NASA GIBS. Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). NASA open data
  • ASTER GDEM is a product of METI and NASA (ASTER Global Digital Elevation Model V003, NASA LP DAAC); imagery via NASA GIBS. Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). NASA open data
  • Made with Natural Earth. Free vector and raster map data @ naturalearthdata.com. Public domain
  • © OpenStreetMap contributors (ODbL), via NASA GIBS (coastlines, boundaries, roads and place names). Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). ODbL
  • Blue Marble, NASA Earth Observatory; imagery via NASA GIBS. Colours redrawn from the published colour map; values averaged into H3 cells where shown (modified). NASA open data
  • Context on the globe and flat map: coastlines, boundaries, roads and place names from NASA GIBS reference layers (OpenStreetMap data, ODbL, © OpenStreetMap contributors); Blue Marble imagery as an optional base; 3D terrain and the elevation read-out from the ASTER GDEM elevation colour index (5 m to 200 m classes, exaggerated for legibility). Boundaries are drawn as published and imply no position on any territory.
  • Globe: MapLibre GL JS 6.9.1, BSD-3-Clause, © MapLibre contributors.
  • Observed (EO): Copernicus Sentinel-2 L2A (contains modified Copernicus Sentinel data 2026), Microsoft Planetary Computer
  • Observed (EO): NASA HLS S30 (contains modified Copernicus Sentinel data 2026). We acknowledge the use of imagery provided by services from NASA's Global Imagery Browse Services (GIBS), part of NASA's Earth Science Data and Information System (ESDIS).
  • Optional layers (35 sources in the layer list: live, forecast, observed and context) print their provider credit on the map and here when switched on; forecasts are model output and derived indices are estimates.

Layers and dates

  • True colour: VIIRS NOAA-20 corrected reflectance, NASA LANCE · 13 Oct 2026
  • Night-time lights, daily: VIIRS Black Marble (VNP46A2), NASA LAADS DAAC · 12 Oct 2026
  • Population density, 2020: Population: CIESIN, Columbia University, Gridded Population of the World v4.11 (2018), NASA SEDAC, CC BY 4.0 · static
  • Land cover type (IGBP), yearly: MODIS Terra and Aqua land cover (MCD12Q1), NASA LP DAAC · 2024
  • Enhanced vegetation index, rolling 8 days: MODIS Terra EVI, NASA LANCE · 13 Oct 2026
  • Vegetation greenness (NDVI), rolling 8 days: MODIS Terra NDVI, NASA LANCE · 13 Oct 2026

03The question

AI in scientific workflows: how the risk develops.

Model evaluation and scientific assistance. The dossier below sets out how the risk develops, what is measured, where the data come from, how it is modelled and who decides.

Mechanism

Leakage inflates performance

When information from the test set reaches training, through duplicates, shared patients, neighbouring sites or preprocessing fitted on all the data, a model appears more accurate than it is. Leakage has been documented in many fields that adopted machine learning.

Mechanism

Benchmarks get overfitted

Repeated tuning against the same public benchmark selects models that fit its quirks. Gains on a leaderboard can vanish on new data, and contamination of training corpora with benchmark items makes scores hard to interpret.

Mechanism

Drift and distribution shift

Instruments, protocols, populations and software change. A model validated on last year's data or another lab's scanner can degrade without any visible error. Monitoring after deployment is part of the evaluation, not an extra.

Mechanism

Generated text and fabricated sources

Language models can produce fluent text, citations and code that are wrong. Unchecked, these errors enter manuscripts, peer reviews and proposals, and spread through citation. Disclosure and verification policies exist because such errors are hard to see.

04Key terms

Terms used on this page.

Each term as this page uses it. Where a standard-setting body defines the term, the wording follows that body.

TermDefinition
Data leakageInformation from the test set reaching a model during training, which inflates reported performance.
Benchmark overfittingTuning methods to a fixed benchmark until scores no longer reflect performance on new data.
Distribution shiftA change between the data a model was trained on and the data it meets in use.
05Indicators

What is measured, and how well.

Each indicator carries its unit, its cadence, the kind of source behind it and the evidence label a value would carry. No values are shown: a programme supplies them under its own authority.

IndicatorUnitCadenceSource typeLabel
Held-out evaluation design statedpercent of model-based studiesannualAudit against the REFORMS checklistOBSERVED
Code and model weights availablepercent of studies with runnable code and weightsannualRepository and article auditOBSERVED
External validationpercent of models tested on data from another site or periodannualLiterature reviewESTIMATED
Calibration errorexpected calibration error, dimensionlessper modelHeld-out evaluationOBSERVED
Performance gap under shiftdifference in the primary metric between internal and external test setsper modelValidation reportsOBSERVED
AI use disclosurepercent of submissions with a disclosure statementannualJournal submission recordsDECLARED
Contamination checks reportedpercent of benchmark evaluation reportsannualEvaluation reportsREPORTED
06Canvas

From sources to decisions.

The topic as a computational graph: named sources feed the methods, an evidence review gates the outputs, and the decisions stay with the authorities that hold them.

Pipeline canvas · AI in scientific workflows as a run graphDesign, not a record
AI in scientific workflows: from task exposure to reskilling pathwaysOccupations are broken into tasks and scored for exposure; skill gaps are found against vacancies; training pathways are designed with employers; placement and social protection support the transition. Design of the process, not a record of a run.

Fig. 02Nodes carry their type, two metric rows and a state; connectors show what feeds what; dashed frames name the owners; the timeline is the cadence. Design of the pipeline, not a record of a run.

07Sources

Where the evidence comes from.

Named public datasets and institutional records, each with its licence class. Sources by agreement are used only under their terms and never republished.

SourceWhat it givesLicence class
OpenMLDatasets, tasks and evaluation runs with standardised splitsOpen, CC BY
Hugging Face Hub model and dataset cardsDocumented models and datasets with stated training data and limitationsLicence per model or dataset
MLCommons benchmarksShared benchmarks and measurement rules for model performanceOpen, Apache 2.0
AI Incident Database (Responsible AI Collaborative)Reported failures and harms of deployed AI systemsOpen, attribution
Software HeritageArchived source code with persistent intrinsic identifiersOpen archive, licence per repository
arXiv metadataPreprints across physics, computing and quantitative biologyMetadata CC0; licence per paper
Zenodo (CERN)Citable deposits of code, models, data and evaluation outputsOpen, licence per record
08Decisions

Who decides, and what the evidence serves.

Nexus Labs prepares evidence. The decisions below are taken by the authorities named, under their own rules, and never by the platform.

Who decidesThe questionEvidence this page serves
Journal editors and reviewersWhether a model-based claim rests on an evaluation that excludes leakage and tests generalisationREFORMS or TRIPOD+AI checklist, split design, external validation, code availability
Research fundersWhether applicants and reviewers may use generative AI, and on what disclosure termsFunder policy, disclosure records, documented verification of generated content
Medicines and device regulatorsWhether an AI component in a medical product is validated for its intended usePrespecified evaluation, external validation, predetermined change control plan
Research integrity officesWhether an allegation involving fabricated or generated content is substantiatedProvenance of text, data and code; version history; tool logs

Outputs this topic produces

  • Evaluation protocols that fix splits, metrics and baselines before training
  • Model cards and datasheets with intended use, limits and known failure modes
  • Leakage and contamination audits of model-assisted studies
  • Reproducible pipelines with code, weights, environment and data versions archived
09Core questions

What experts ask about AI in research.

  • What task is the model doing, and what is it compared against?
  • Was the model evaluated on data independent of the data it was trained or tuned on?
  • How does performance change when conditions shift away from the training data?
  • Can the output be checked by a person or a simpler method, and is it?
  • Which steps of the workflow were assisted, and is that disclosed in the result?
10Mechanisms and drivers

Where AI helps and where it misleads.

Machine learning models learn statistical regularities from data. They can be very effective where those regularities are stable and data are plentiful, for example classifying land cover from satellite imagery or emulating a climate model to explore many scenarios. They are weaker where data are sparse, where the system changes over time or where rare events matter most, which describes much of risk science.

Common failure modes are well understood: leakage, where information from the test set reaches training; distribution shift, where conditions in use differ from those in training; shortcut learning, where a model relies on a spurious cue; and overconfident outputs without calibrated uncertainty. Generative models add the risk of fluent but fabricated content, including citations and code that looks correct but is not.

Workflow effects matter as much as model accuracy. When a tool is used at several stages, small errors can accumulate, and reviewers may give automated outputs more trust than they deserve.

11Methods and data

How AI tools are evaluated.

  1. 01

    Held-out and out-of-distribution tests

    Evaluation on data separated by time, place or source. This is the minimum for any claim of generalisation.

  2. 02

    Baselines

    Comparison with simple statistical methods and expert judgement. A complex model that does not beat a simple baseline is not adding value.

  3. 03

    Calibration and uncertainty

    Checks that stated confidence matches observed accuracy, using uncertainty quantification.

  4. 04

    Provenance and disclosure

    A record of which model, version and prompts or settings were used at each step, so the workflow can be re-run or audited.

Benchmark scores rarely transfer directly to a new research setting, and a model's behaviour can change between versions. Evaluation is repeated when either the task or the model changes.

12Methods

How it is studied, and what the methods cannot say.

13Questions

Questions and answers.

What is data leakage?
Any route by which information about the test data influences training or model selection. It makes reported performance higher than the model will achieve on genuinely new data.
Is a high benchmark score enough to publish a method?
Not on its own. Reviewers increasingly expect external validation, uncertainty on the score, ablations and an account of how the benchmark was protected from contamination.
Can a generative AI tool be listed as an author?
COPE and the ICMJE say no, because authorship carries accountability a tool cannot hold. Use of such tools is disclosed in the methods or acknowledgements, under the journal's policy.
Why publish model weights and code?
So others can rerun the evaluation, test on new data and find errors. Where weights cannot be shared, for privacy or safety, a controlled access route and a stated reason are the accepted alternative.
Does Nexus Labs use generative AI to write findings?
Any assisted step is designed to be disclosed. Findings are the responsibility of named researchers, who check every generated claim, citation and line of code.
Can Labs evaluate a commercial AI model?
A model can be evaluated under a published protocol. The result describes performance on the tested task and is not an endorsement or approval.
Why compare with simple baselines?
Because complex models often appear impressive on benchmarks but add little over a well-chosen simple method on real research data.
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