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learn/steps in the work

Acquisition

Acquisition is the first step in any study: getting hold of the raw data, whether by taking a measurement, running an instrument, downloading a public archive or pulling records out of a database.

What it is

Every piece of research begins with something to work on. Acquisition is the act of obtaining that raw material. Sometimes it means making a measurement: pointing a telescope at the sky, recording a signal from a detector, running a chemical reaction and recording what comes out. Sometimes it means retrieval instead: downloading files from a public repository, copying records out of a database, or gathering published papers. The word covers both, because what matters is not the method but the result, which is data that did not exist in the researcher's hands before and now does.

Raw data is rarely tidy. It arrives in whatever form the instrument or archive produces: images, spectra, time series, text, long tables of numbers. Acquisition stops at that point. Deciding what to keep, correcting for faults, converting units and arranging things into a usable table all come later, and are usually treated as separate steps. Keeping acquisition distinct matters because it is the step that fixes what is possible: nothing can be analysed that was never obtained, and a flaw introduced here is carried through everything that follows.

Why scientists use it

Scientists separate out acquisition because it is where the questions of coverage and bias are settled. If a telescope only looks at part of the sky, or an archive only holds molecules that someone thought worth depositing, every later conclusion inherits that narrowness. Writing the step down makes those choices visible and lets other people judge or repeat them.

The step has grown more important as machine learning has spread through the sciences. These methods learn patterns from many examples rather than following rules written by hand, so they need large amounts of data, and their quality tracks the quality of what they were given. That has pushed researchers towards instruments and robots that acquire data continuously, and towards mining archives and published literature for material that was gathered for other purposes. Acquisition in that setting stands in for the older, slower business of a person running one experiment at a time.

In the record

Limits

Acquisition says nothing about whether the data is any good. An instrument can be miscalibrated, an archive can be skewed towards whatever was easy or fashionable to collect, and a download can be large while still missing the cases that matter. Volume is especially misleading: a great many measurements of nearly the same thing carry little more information than a few. Nor does obtaining data make it usable. Raw output often needs heavy correction before it means anything, and some of it will simply be discarded.

Written by AIxSci: the background from general knowledge, the examples from checked records.

Every article

134articles
49structural-biology
41materials-chemistry
44astronomy

aix-00279

Machine learning predicts where dopant atoms sit in hexaferrite crystals before refinement

classificationproperty prediction

materials-chemistry · ai-result · Advanced Science · 2026

aix-00278

Neural networks sort millions of stars to build a young-star candidate catalogue

classification

astronomy · ai-result · Astronomy and Astrophysics · 2026

aix-00277

Software reads AlphaFold predictions to infer how protein complexes assemble

structure determination

structural-biology · ai-result · Frontiers in Bioinformatics · 2026

aix-00273

Deep learning model flags bacterial proteins likely to drive infection

classificationstructure determination

structural-biology · ai-result · Bioinformatics · 2026

aix-00271

Machine learning predicts galaxy 'relicness' from survey measurements, cutting spectroscopy demand

property predictionclassification

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2026

aix-00219

Neural network supplies the sideways flows needed to measure the quiet Sun's magnetic energy

property prediction

astronomy · ai-result

aix-00220

Neural network predicts how titanium alloy grains round off during annealing

property prediction

materials-chemistry · ai-result · Materials · 2023

aix-00221

Neural network measures rotation periods for Kepler's main-sequence stars

property prediction

astronomy · ai-result · arXiv · 2026

aix-00227

Machine learning sifts a million candidate moving objects to find 258 new cool stars

classification

astronomy · ai-result · Astronomy and Astrophysics · 2025

aix-00235

Random forest sorts 130 million Magellanic Cloud sources into ten classes

classification

astronomy · ai-result

aix-00238

Classifiers label individual TESS brightness readings as planet transits or not

classificationdetectionanomaly detection

astronomy · ai-result · arXiv · 2026

aix-00215

Neural network ranks gravitational wave triggers in search for neutron star mergers

detection

astronomy · ai-result · Physical review. D/Physical review. D. · 2025

aix-00213

Neural networks predict how much ultrasound energy drives magnesia dissolution

property prediction

materials-chemistry · ai-result · ACS Omega · 2023

aix-00245

Neural network trained on survey data retuned to spot transients for a liquid mirror telescope

classification

astronomy · ai-result

aix-00248

Image classifiers flag a gas kink in a young star's disc, pointing to a planet

classification

astronomy · ai-result · The Astrophysical Journal · 2023

aix-00251

Astronomers map the mass of galaxy cluster Abell 2744 using lensed images

classification

astronomy · ai-supporting · Astronomy and Astrophysics · 2022

aix-00209

Neural network turns Kaguya camera images into global maps of lunar surface chemistry

property prediction

astronomy · ai-result · Nature Communications · 2023

aix-00208

Neural network predicts atomic charges from bond lists, without atomic coordinates

property prediction

materials-chemistry · ai-result · Journal of Chemical Information and Modeling · 2024

aix-00205

Machine learning fitted to flexible molecules predicts oxidation potentials and hydration energies

property prediction

materials-chemistry · ai-result · arXiv · 2025

aix-00195

Researchers read an AlphaFold model of honey bee vitellogenin's tail end

structure determination

structural-biology · ai-result · Frontiers in Molecular Biosciences · 2022

aix-00159

Machine learning assigns atomic charges to size up polarisation in bismuth vanadate conductors

property predictionsimulation surrogate

materials-chemistry · ai-supporting · Chemistry of Materials · 2022

aix-00158

Structure predictions place an uncharacterised human protein in the BRICHOS family

structure determinationproperty prediction

structural-biology · ai-result · Bioinformatics Advances · 2022

aix-00157

Microscopy and a trained classifier map which E. coli proteins clump together

classificationproperty prediction

structural-biology · ai-result · Scientific Reports · 2022

aix-00156

Protein language model and two classifiers predict where ATP binds on proteins

classification

structural-biology · ai-result · International Journal of Molecular Sciences · 2026

aix-00155

Neural network predicts crystal density of candidate explosives from molecular structure

property prediction

materials-chemistry · ai-result · Journal of Cheminformatics · 2023

aix-00154

AlphaFold models used to map membrane-crossing segments in human proteins

structure determinationproperty prediction

structural-biology · ai-result · Database · 2023

aix-00153

Neural networks pick amino acid sequences for short peptides in protein binding sites

candidate generation

structural-biology · ai-result · Bioinformatics · 2022

aix-00152

Neural networks trained to find the cutting site on serpin proteins

segmentation

structural-biology · ai-result · Bioinformatics Advances · 2026

aix-00151

Classifier sorts true from false AlphaFold predictions of human protein pairs

structure determinationclassification

structural-biology · ai-result · Molecular Cell · 2025

aix-00150

Deep learning sorts crystal structures for single-molecule magnet behaviour

classificationproperty prediction

materials-chemistry · ai-result · IUCrJ · 2024

aix-00147

Testing whether symmetry-aware neural networks can tell apart atomic arrangements in perovskites

property predictionsimulation surrogate

materials-chemistry · ai-result · arXiv · 2024

aix-00162

Software splits coiled-coil proteins into short windows for AlphaFold to model

structure determinationclassification

structural-biology · ai-result · Bioinformatics Advances · 2024

aix-00163

Peptides designed by simulation and machine learning sit at condensate surfaces

simulation surrogateproperty predictioncandidate generationexperimental design

structural-biology · ai-result · Nature Communications · 2026

aix-00165

Thin molybdenum disulfide memory cells tested, with reinforcement learning fitting their circuit model

simulation surrogate

materials-chemistry · ai-supporting · Advanced Science · 2025

aix-00166

Neural network assigns protein domains to structural families from sequence alone

classification

structural-biology · ai-result · Bioinformatics · 2023

aix-00167

Neural network scans eleven years of night-sky images for mesospheric wave fronts

detection

astronomy · ai-result · Earth Planets and Space · 2025

aix-00168

Deep learning reads cryo-EM maps alongside AlphaFold3 models to build protein structures

structure determinationdetectionclassification

structural-biology · ai-result

aix-00169

AlphaFold's confidence scores used to predict which disordered protein segments bind LC8

classificationstructure determinationproperty prediction

structural-biology · ai-result · Frontiers in Molecular Biosciences · 2025

aix-00171

Neural network fills gaps in protein maps from raw diffraction data

structure determination

structural-biology · ai-result · Acta Crystallographica Section D Structural Biology · 2025

aix-00172

Machine learning tested against three definitions of protein shape-shifting

classificationproperty prediction

structural-biology · ai-result · Frontiers in Molecular Biosciences · 2022

aix-00146

Machine learning ranks stable materials by predicted superconducting temperature

property prediction

materials-chemistry · ai-result · arXiv · 2024

aix-00144

Machine-learned potentials trained to simulate copper ion conductor Cu7PS6 faster

simulation surrogateexperimental design

materials-chemistry · ai-result · arXiv · 2024

aix-00143

Software models of two cancer proteins used to rank mutations by likely effect

structure determinationclassification

structural-biology · ai-result · Cancer Genetics · 2025

aix-00140

Model labels which protein residues are active sites and what job they do

classification

structural-biology · ai-result · Briefings in Bioinformatics · 2025

aix-00139

Robot laser-heats thin films while software picks each next heating condition

experimental designclassificationproperty prediction

materials-chemistry · ai-result

aix-00138

AI-labelled protein pairs used to test how well function predictors handle unknown proteins

classification

structural-biology · ai-result · Bioinformatics · 2025

aix-00136

Diffusion model generates synthetic images of the Sun sorted by flare strength

candidate generationclassification

astronomy · ai-result · arXiv · 2024

aix-00173

Machine learning predicts nanofibre thickness from electrospinning settings, tested against new scaffolds

property prediction

materials-chemistry · ai-result · Frontiers in Bioengineering and Biotechnology · 2026

aix-00174

Simulations probe shape-shifting of opium poppy's reticuline-flipping enzyme using a predicted structure

structure determination

structural-biology · ai-result · Biomolecules · 2023

aix-00176

Neural network potentials trained by repeatedly checking where models disagree on hydrogen sticking to copper

simulation surrogateexperimental design

materials-chemistry · ai-result · The Journal of Physical Chemistry C · 2023

aix-00178

Machine learning picked catalyst recipes for a loop of 44 lab cycles

property predictionexperimental design

materials-chemistry · ai-result · Nature Communications · 2023

aix-00135

Clustering algorithm sorts cluster stars from background stars in thirteen open clusters

classification

astronomy · ai-result · arXiv · 2024

aix-00134

Meta-learning lets a cosmology emulator adapt to new galaxy depth maps quickly

simulation surrogate

astronomy · ai-result

aix-00133

Regression models predict how graphene loading changes aluminium's electron emission

property prediction

materials-chemistry · ai-result · Scientific Reports · 2025

aix-00132

Five codes measured galaxy shapes in simulated Euclid images, one using neural networks

property predictionsimulation surrogate

astronomy · ai-supporting · Astronomy and Astrophysics · 2022

aix-00131

Machine-learned potential predicts how chromium sulfide layers rearrange during exfoliation

simulation surrogateproperty prediction

materials-chemistry · ai-result · The Journal of Physical Chemistry C · 2024

aix-00130

Machine-learned potential makes long simulations of CO hydrogenation on rhodium affordable

simulation surrogate

materials-chemistry · ai-result · Journal of Chemical Theory and Computation · 2023

aix-00179

Neural network predicts protein pair binding strength from simplified molecular models

property predictionclassification

structural-biology · ai-result · Nature Communications · 2024

aix-00181

Protein language model embeddings used to predict succinylation sites in proteins

classification

structural-biology · ai-result · Scientific Reports · 2022

aix-00183

Neural network predicts nanostructure optics to design a two-colour laser collimator

property predictionsimulation surrogate

materials-chemistry · ai-result · Nanophotonics · 2023

aix-00184

Machine learning scores short protein stretches that mark proteins for destruction

classification

structural-biology · ai-result · Briefings in Bioinformatics · 2024

aix-00185

Protein language model trained to spot lactylated lysines in rice proteins

classification

structural-biology · ai-result · Briefings in Bioinformatics · 2025

aix-00187

Machine-learned force field used to model two crystal forms of formamide

property predictionsimulation surrogate

materials-chemistry · ai-result · Journal of Chemical Theory and Computation · 2023

aix-00188

Machine learning sorts antibody heavy chains by the germ they target

classification

structural-biology · ai-result · PLoS ONE · 2026

aix-00190

A transformer model segments cryo-electron tomograms from three viewing directions at once

segmentationdetection

structural-biology · ai-result · Knowledge-Based Systems · 2025

aix-00192

Study tests whether AI clean-up of cryo-EM maps harms ligand density

denoising

structural-biology · ai-result · Frontiers in Molecular Biosciences · 2024

aix-00193

Researchers train a machine-learned force model to simulate carbon nanotubes' strength and heat limits

simulation surrogate

materials-chemistry · ai-result · Journal of Chemical Theory and Computation · 2025

aix-00124

Software predictors compare protein floppiness across retinal disease protein sets

property prediction

structural-biology · ai-result · Journal of Proteins and Proteomics · 2025

aix-00122

Random Forest sorts 9,446 white dwarfs by type from Gaia spectra

classification

astronomy · ai-result · Astronomy and Astrophysics · 2023

aix-00121

Machine learning sorts mitochondrial proteins into three compartments from sequence alone

classification

structural-biology · ai-result · Journal of Environmental and Public Health · 2022

aix-00118

Neural networks replace a slow statistical fit to find solar oscillations in Hα images

simulation surrogate

astronomy · ai-result · Astronomy and Astrophysics · 2025

aix-00117

Deep learning model predicts polymer heat-softening across 48,208 designed candidates

property prediction

materials-chemistry · ai-result · arXiv · 2026

aix-00116

Neural network reads protein surfaces to predict DNA and RNA binding

classificationsegmentation

structural-biology · ai-result · Biophysical Reviews · 2024

aix-00114

A compact way to describe molecules speeds up machine learning of their properties

property prediction

materials-chemistry · ai-result

aix-00113

Random atoms settle into molecules and crystals on a learned energy surface

candidate generationstructure determination

materials-chemistry · ai-result

aix-00112

Protein language model embeddings tested against classical descriptors for spotting resistance genes

classificationstructure determination

structural-biology · ai-result · Frontiers in Microbiology · 2026

aix-00107

Machine learning sorts plant protein sequences into disease-resistance proteins or not

classification

structural-biology · ai-result · Frontiers in Plant Science · 2022

aix-00106

Volunteer labels train a model to find asteroid trails in Hubble archive images

detectionclassification

astronomy · ai-result · Astronomy and Astrophysics · 2022

aix-00104

Neural networks sort 400,000 JWST galaxies to trace when spirals and spheroids appeared

classification

astronomy · ai-result · arXiv · 2025

aix-00100

Astronomers test pre-trained image models for sifting telescope alerts

classificationanomaly detection

astronomy · ai-result · arXiv · 2025

aix-00099

Weighing the Milky Way's disk reveals a mass excess along the Local Arm

property prediction

astronomy · ai-result · arXiv · 2024

aix-00097

Neural networks speed up forecasts of what gravitational wave detections LISA will catch

simulation surrogateproperty prediction

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2023

aix-00095

Neural networks estimate dark matter halo masses from a galaxy's neighbours

property prediction

astronomy · ai-result · The Open Journal of Astrophysics · 2023

aix-00094

Neural network potential used to simulate carbon dioxide moving inside porous frameworks

simulation surrogate

materials-chemistry · ai-result · Frontiers in Chemistry · 2023

aix-00093

Neural network predicts gas pressure in galaxy clusters from dark matter alone

simulation surrogate

astronomy · ai-result

aix-00092

Cryo-EM maps and AlphaFold models explain how two bacterial helper proteins activate an enzyme

structure determination

structural-biology · ai-supporting · BMC Biology · 2023

aix-00088

Neural network retrained to predict how crystals absorb light, from few examples

property predictionsimulation surrogate

materials-chemistry · ai-result · Nature Communications · 2025

aix-00082

Neural networks turn simulated cluster mass maps into X-ray and SZ images

simulation surrogate

astronomy · ai-result · RAS Techniques and Instruments · 2025

aix-00080

Machine learning sifts three-colour infrared survey data for cold brown dwarfs

classificationproperty prediction

astronomy · ai-result · arXiv · 2024

aix-00079

Changing the training penalty improves how a network spots beta-sheets in blurry protein maps

segmentation

structural-biology · ai-result · Bioinformatics Advances · 2024

aix-00077

Neural networks sift 812,118 quasar spectra for hidden gravitational lenses

classificationproperty prediction

astronomy · ai-result · The Astrophysical Journal · 2026

aix-00076

Neural network strips mains-power hum from LIGO data in about a second

denoising

astronomy · ai-result · arXiv · 2023

aix-00074

Software predictions map floppy stretches of touch-sensing PIEZO channels

classificationproperty prediction

structural-biology · ai-result · Proteomes · 2026

aix-00073

Neural networks sort eleven years of Mars plasma data into three regions

classification

astronomy · ai-result · arXiv · 2026

aix-00072

Attention patterns inside a protein language model used to cut sequences into reusable units

segmentationclassification

structural-biology · ai-result · Advanced Science · 2026

aix-00069

Neural networks rebuild cosmic expansion history to calibrate gamma-ray burst energies

property prediction

astronomy · ai-result · The European Physical Journal C · 2026

aix-00068

Machine learning predicts marine steel corrosion from seawater conditions and alloy make-up

property predictioncandidate generation

materials-chemistry · ai-result · Materials · 2025

aix-00066

Machine learning sifts 25,000 known materials for quantum-technology host candidates

classification

materials-chemistry · ai-result · npj Computational Materials · 2022

aix-00065

Model predicts how fast an enzyme works on a substrate, with uncertainty attached

property predictionexperimental design

structural-biology · ai-result · Briefings in Bioinformatics · 2025

aix-00062

A single neural network stands in for quantum calculations across 45 elements

simulation surrogate

materials-chemistry · ai-result · Nature Communications · 2022

aix-00061

A search engine for radio galaxy shapes, built on a fine-tuned image-text model

classificationdetection

astronomy · ai-result

aix-00058

Deep-learning model designs petrol blends from octane and soot targets

property predictioncandidate generation

materials-chemistry · ai-result · Communications Chemistry · 2022

aix-00057

Genetic algorithm trims chemical reaction lists for hot Jupiter atmosphere models

candidate generationsimulation surrogate

astronomy · ai-result · Astronomy and Astrophysics · 2024

aix-00056

Deep learning tool predicts how single mutations weaken protein partnerships

property prediction

structural-biology · ai-result · Nucleic Acids Research · 2024

aix-00054

Bayesian program merges X-ray diffraction data from three experiment types in one step

denoising

structural-biology · ai-result · Nature Communications · 2022

aix-00052

Benchmark measures how well AlphaFold predicts antibody-antigen complex structures

structure determination

structural-biology · ai-result

aix-00050

Machine learning tool flags protein helices likely to bind DNA or RNA

classification

structural-biology · ai-result · Journal of Chemical Information and Modeling · 2025

aix-00048

Software reconstructs supernova spectra and physical properties from brightness measurements alone

denoising

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2024

aix-00047

Neural networks stand in for slow galaxy clustering calculations in cosmology analyses

simulation surrogate

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2022

aix-00046

Two neural networks predict how heat shrinks the band gap of silver-based crystals

property predictionsimulation surrogate

materials-chemistry · ai-result

aix-00043

Neural network maps cosmic voids, walls and filaments from sparse galaxy tracers

segmentation

astronomy · ai-result · The Astrophysical Journal · 2026

aix-00041

Astronomers hunt dust-buried young star clusters in eleven nearby galaxies

classification

astronomy · ai-supporting · The Astronomical Journal · 2025

aix-00036

Four million simulated X-ray patterns used to test 21 crystal-symmetry classifiers

classification

materials-chemistry · ai-result · arXiv · 2024

aix-00035

GPT-4 reads band gap values from paper sentences to train better predictors

literature synthesisclassificationproperty prediction

materials-chemistry · ai-result · arXiv · 2023

aix-00033

Neural network built from physics equations extracts solder deformation coefficients

property prediction

materials-chemistry · ai-result · Materials · 2023

aix-00032

Neural network turns galaxy shape distortions into maps of invisible cluster mass

structure determination

astronomy · ai-result · The Astrophysical Journal · 2025

aix-00031

Keck spectra pin down distances for six gravitational lenses found by a neural network

classification

astronomy · ai-supporting · The Astrophysical Journal · 2026

aix-00030

Software spotted a nearby supernova and booked a telescope within minutes

classificationexperimental design

astronomy · ai-result · The Astrophysical Journal · 2025

aix-00029

Cryo-EM maps show water shifting in actin filaments as they age

detection

structural-biology · ai-supporting · Nature · 2022

aix-00025

Machine learning picks a new metal mixture, which casting and X-rays confirm

classification

materials-chemistry · ai-result · Scientific Reports · 2023

aix-00022

Software works out protein shapes from electron microscope images using statistics

structure determination

structural-biology · ai-result · Journal of Structural Biology · 2012

aix-00021

Neural network reads a million star spectra to measure temperature and chemistry

property prediction

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2022

aix-00019

Neural network sorts six hundred thousand noise blips in LIGO gravitational-wave data

classification

astronomy · ai-result · Classical and Quantum Gravity · 2023

aix-00017

Neural network picks bright exploding stars from sky survey alerts and books telescope time

classificationexperimental design

astronomy · ai-result · The Astrophysical Journal · 2024

aix-00016

Machine learning picked which shape-memory alloys to make next, round by round

property predictionexperimental design

materials-chemistry · ai-result · Nature Communications · 2016

aix-00015

Transformer model predicts how gas-storing crystals take up gases, replacing slow simulations

property predictionsimulation surrogate

materials-chemistry · ai-result · Nature Communications · 2024

aix-00013

Neural network segments 650 battery particles to measure their detachment after cycling

segmentationdetection

materials-chemistry · ai-result · Nature Communications · 2020

aix-00012

Machine-learned force model simulates silicon-oxygen structures from glass surfaces to monoxide grains

simulation surrogateexperimental design

materials-chemistry · ai-result · Nature Communications · 2024

aix-00010

Robotic lab with machine learning proposes and runs 353 inorganic synthesis experiments

candidate generationproperty predictionclassificationexperimental design

materials-chemistry · ai-result · Nature · 2023

aix-00006

Protein shapes computed from patterns of change across families of related sequences

structure determination

structural-biology · ai-result · PLoS ONE · 2011

aix-00005

Cryo-tomography maps the myosin filament inside relaxed mouse heart muscle

structure determinationdetectiondenoising

structural-biology · ai-result · Nature · 2023

aix-00003

Researchers map the sixteen-part Commander complex using crystals, cryo-EM and AlphaFold2

structure determinationdetection

structural-biology · ai-result · Cell · 2023

aix-00002

Deep learning turns raw NMR spectra into protein structures without human intervention

detectionproperty predictionstructure determination

structural-biology · ai-result · Nature Communications · 2022

aix-00001

Researchers measure folding stability for hundreds of thousands of protein variants

structure determinationcandidate generationproperty predictionclassification

structural-biology · ai-supporting · Nature · 2023