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Supervised

Supervised learning is teaching a computer by example: you show it many inputs alongside the correct answers, and it learns to produce those answers for inputs it has not seen.

What it is

The word supervised describes how a model is trained. A model here is a piece of software with many adjustable internal numbers. You collect a set of examples where each input comes paired with the answer you want, and that answer is called a label. The model guesses, its guess is compared with the label, and the numbers are nudged so the guess moves closer. Repeat this across the whole set, many times over, and the model settles into a form that tends to give the right answer. The supervision is simply the presence of those labels. Without them the model would have nothing to be corrected against.

Labels come from wherever truth already exists. Sometimes a person reads each item and marks it by hand. Sometimes an earlier, slower method supplies the answer, such as a physics calculation or a laboratory measurement, and the model is trained to imitate it. Sometimes a catalogue already records what each object turned out to be. The answer can be a category, a number, or a set of coordinates. What matters is that for each input there is something to compare against. Once trained, the model is used on new inputs where no label exists, and that is the whole point of the exercise.

Why scientists use it

Scientists use supervised learning when they can already get the right answer, but only slowly, expensively, or by hand. A trained model stands in for that costly step. A careful calculation that takes hours can be replaced by a prediction that takes a fraction of a second, so the same work can be done across millions of cases instead of a few. A judgement that a trained human makes in half a minute can be made instantly, which matters when the items arrive faster than anyone can read them.

It also lets tacit skill be written down in a usable form. An expert who can glance at a messy measurement and say which features are real and which are noise is hard to replace with explicit rules, because the rules are never quite complete. Labelling many such judgements and training on them captures the pattern without anyone having to state it. The same applies to knowledge already buried in published literature or in archived records, which can be turned into labels and so into a tool.

In the record

Limits

A supervised model can only learn what its labels contain. If the labels are wrong, biased, or drawn from a narrow slice of reality, the model inherits all of that and states it confidently. Faced with something unlike anything in training, it still produces an answer, often with no sign that it is out of its depth. It learns which inputs go with which answers, not why, so it cannot be relied upon to explain or to extrapolate. And someone must produce the labels, which is often the hardest part.

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

Every article

187articles
63structural-biology
63materials-chemistry
61astronomy

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-00276

Machine learning sorts a simulated polymer into ordered and disordered beads

classification

materials-chemistry · ai-result · arXiv · 2023

aix-00275

AI model trained on protein folding predicts how mutations affect binding

property prediction

structural-biology · ai-result · iScience · 2026

aix-00274

Neural network trained on simulated data hunts solar wave trains in radio spectra

detectionclassification

astronomy · ai-result · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2026

aix-00273

Deep learning model flags bacterial proteins likely to drive infection

classificationstructure determination

structural-biology · ai-result · Bioinformatics · 2026

aix-00272

Tree-based models predict sliding wear of carburised and plain engineering steels

property prediction

materials-chemistry · ai-result · Materials · 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-00218

Sparse regression fits crystal force constants to model heat flow and vibrations

property prediction

materials-chemistry · ai-result · npj Computational Materials · 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-00222

Neural networks trained on molecule pairs predict light absorption in stacks of fifty

property predictionsimulation surrogate

materials-chemistry · ai-result · The Journal of Physical Chemistry Letters · 2025

aix-00223

Neural networks weigh cluster X-ray maps to estimate galaxy cluster masses

property prediction

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

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-00216

Neural network models simulate how lead titanate loses its electrical polarisation on heating

simulation surrogateproperty prediction

materials-chemistry · ai-result · Physical review. B./Physical review. B · 2025

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-00254

Neural networks read a fast radio burst's dispersion straight from its spectrum

property prediction

astronomy · ai-result

aix-00210

Language models suggest ingredients and firing temperatures for inorganic materials recipes

candidate generationproperty prediction

materials-chemistry · ai-result · ACS Applied Materials & Interfaces · 2025

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-00206

Neural network designs five hard metallic glasses, all confirmed by experiment

property predictioncandidate generationsimulation surrogate

materials-chemistry · ai-result · Nature Communications · 2026

aix-00205

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

property prediction

materials-chemistry · ai-result · arXiv · 2025

aix-00204

Neural networks stand in for a slow model of interstellar gas clouds

simulation surrogateanomaly detection

astronomy · ai-result · Astronomy and Astrophysics · 2023

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-00149

AlphaFold2 used to predict the shapes of hepatitis E virus copying proteins

structure determination

structural-biology · ai-result · Viruses · 2022

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-00160

Neural networks predict how zeolites take up carbon dioxide from structure alone

property predictionsimulation surrogatecandidate generation

materials-chemistry · ai-result · ACS Applied Materials & Interfaces · 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-00164

Five structure-prediction models tested on 509 protein–peptide pairs under altered inputs

structure determination

structural-biology · ai-result · Protein 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-00170

Machine learning predicts strength of PLA plastic filled with boron nitride flakes

property prediction

materials-chemistry · ai-supporting · Polymers · 2026

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-00145

Repeating-coil proteins designed from random sequences using AlphaFold2 in an evolution loop

candidate generationstructure determinationclassification

structural-biology · ai-result · Communications Chemistry · 2025

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-00142

Seven machine-learned water models test how density functional choice shapes water's behaviour

simulation surrogate

materials-chemistry · ai-result

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-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-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-00180

Teaching protein language models to rank mutants from a few dozen lab measurements

property predictionexperimental design

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-00186

Language model trained on protein sequences predicts shape and stability of disordered proteins

property predictionsimulation surrogate

structural-biology · ai-result · The Journal of Physical Chemistry B · 2024

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-00191

Neural network stands in for slow spectral modelling to read 64 stars' chemistry

property predictionsimulation surrogate

astronomy · ai-result · Astronomy and Astrophysics · 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-00129

Neural networks sort supernovae and estimate their distances from brightness alone

classificationproperty predictiondenoising

astronomy · ai-result · arXiv · 2024

aix-00128

Phage proteins drawn as pictures, then sorted by image-recognition networks

classification

structural-biology · ai-result

aix-00126

Pretrained potentials give a structure search a head start in finding atomic arrangements

simulation surrogateexperimental designstructure determination

materials-chemistry · ai-result

aix-00125

Classifying stars by type from a single wide-band telescope image

classificationstructure determination

astronomy · ai-result · Astronomy and Astrophysics · 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-00123

Neural networks swap places with black hole image simulations, both directions

simulation surrogateproperty prediction

astronomy · ai-result

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-00119

Neural network potential used to simulate how calcium oxide melts under pressure

simulation surrogate

materials-chemistry · ai-result

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-00115

A shared test set for predicting which enzyme carries out a reaction

classificationstructure determination

structural-biology · ai-result

aix-00114

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

property prediction

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-00110

Deep learning trained on robotic peptide mapping predicts where antibody proteins degrade

classificationproperty prediction

structural-biology · ai-result · Antibodies · 2024

aix-00108

Oxidation potentials for 15,238 molecules assembled from quantum calculations and lab measurements

property prediction

materials-chemistry · ai-supporting · Journal of Chemical Information and Modeling · 2025

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-00103

Neural network predicts yield of chitosan nanoparticles grown with olive leaf extract

property prediction

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

aix-00101

Simulations map three sodium–bismuth compounds, then models predict their heat-to-electricity performance

property predictionsimulation surrogate

materials-chemistry · ai-supporting · RSC Advances · 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-00091

Neural network force field simulates how a ferroelectric crystal's molecules begin to spin

simulation surrogate

materials-chemistry · ai-result · arXiv · 2024

aix-00090

Machine learning reads planet-forming disk masses from archival ALMA observations

property predictionsimulation surrogate

astronomy · ai-result

aix-00089

Neural networks trained on atomic surroundings score how mutations change proteins

property predictionstructure determination

structural-biology · ai-result · arXiv · 2024

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-00086

Neural networks trained on simulated radio bursts sort real bursts by shape

classification

astronomy · ai-result · arXiv · 2025

aix-00084

Neural networks read simulated galaxy cluster catalogues to estimate cosmological parameters

property prediction

astronomy · ai-result · arXiv · 2026

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-00081

Language models trained on protein sequences used to predict sugar-attachment sites

classification

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

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-00078

Simulated water in graphene gaps shows acid's charge hugging the surface

simulation surrogate

materials-chemistry · ai-result · ACS Nano · 2025

aix-00077

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

classificationproperty prediction

astronomy · ai-result · The Astrophysical Journal · 2026

aix-00075

Neural network sifts Gaia data for 160,146 stars born outside the Milky Way

classification

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 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-00071

Simulations map how surface atoms rearrange in alloys when molecules attach

property prediction

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

aix-00070

Neural network scores candidate composite microstructures in a strength–toughness design loop

property predictionsimulation surrogatecandidate generation

materials-chemistry · 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-00063

Adding a term for the unfolded protein sharpens AI stability predictions

property prediction

structural-biology · ai-result · Protein Science · 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-00060

Neural networks stand in for slow cosmology code in parameter fitting

simulation surrogate

astronomy · ai-result · arXiv · 2024

aix-00059

Machine-learnt stand-in for a planet model cuts interior inference from 42 hours to 8 minutes

simulation surrogate

astronomy · ai-result · The Astrophysical Journal · 2026

aix-00058

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

property predictioncandidate generation

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

aix-00056

Deep learning tool predicts how single mutations weaken protein partnerships

property prediction

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

aix-00055

Neural networks sift 315,000 galaxy images for rare polar ring systems

classification

astronomy · ai-result · Astronomy and Astrophysics · 2025

aix-00052

Benchmark measures how well AlphaFold predicts antibody-antigen complex structures

structure determination

structural-biology · ai-result

aix-00051

Ultrasound-treated clay bleaches cooking oil, with machine learning picking the settings

property predictionexperimental design

materials-chemistry · ai-supporting · Food Science & Nutrition · 2024

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-00049

Eight machine learning methods sorted supernova gravitational wave signals by nuclear physics model

classification

astronomy · ai-result · Machine Learning Science and Technology · 2024

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-00045

Neural network reads simulated quasar light curves to estimate black hole properties

property predictiondenoising

astronomy · ai-result · The Astrophysical Journal · 2024

aix-00044

Machine-learnt electron densities drive molecular dynamics of a gold–saltwater interface

property predictionsimulation surrogate

materials-chemistry · ai-result · The Journal of Chemical Physics · 2024

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-00040

Statistical model of 5,441 perovskite solar cells predicts efficiency and suggests recipes

property predictioncandidate generationexperimental design

materials-chemistry · ai-result · Journal of Chemical Information and Modeling · 2026

aix-00039

Machine learning predicts whether a dying massive star explodes, from its density profile

classification

astronomy · ai-result · The Astrophysical Journal Letters · 2022

aix-00037

Hubble and Webb images reveal a candidate massive touching binary star in WLM

simulation surrogate

astronomy · ai-result · The Astrophysical 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-00023

Neural network writes amino acid sequences to fit fixed protein backbones

candidate generationstructure determination

structural-biology · ai-result · Science · 2022

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-00028

Neural network trained on quantum calculations maps how gallium melts and freezes

simulation surrogate

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

aix-00027

Neural networks read infrared spectra to work out how CO sits on platinum

structure determinationsimulation surrogate

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

aix-00026

Algorithm picks starting powders and temperatures for making inorganic materials

classificationexperimental design

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

aix-00025

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

classification

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

aix-00024

Machine learning picked which engineered enzymes to build for fatty alcohol production

property predictionclassificationexperimental design

structural-biology · ai-result · Nature Communications · 2021

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-00020

Neural network sifts Kepler signals and validates 301 new exoplanets

classification

astronomy · ai-result · The Astrophysical Journal · 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-00018

Telescope targets chosen nightly by a classifier learning from its own spectra

classificationexperimental design

astronomy · ai-result · Publications of the Astronomical Society of Australia · 2025

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-00009

Gaussian process models pick light-sensitive ion channels that reach mammalian cell membranes

property predictionclassificationexperimental design

structural-biology · ai-result · PLoS Computational Biology · 2017

aix-00008

Neural network locates single protein particles in cryo-electron microscope images

detection

structural-biology · ai-result · Communications Biology · 2019

aix-00007

Neural network predicts protein atom positions from amino acid sequence alone

structure determinationproperty prediction

structural-biology · ai-result · Nature · 2021

aix-00005

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

structure determinationdetectiondenoising

structural-biology · ai-result · Nature · 2023

aix-00004

Robot lab and learning agent redesign an enzyme to survive higher temperatures

property predictionclassificationexperimental design

structural-biology · ai-result · Nature Chemical Engineering · 2024

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