What the AI was for
Simulation surrogate
Standing in for a more expensive numerical simulation at lower cost.
48articles
3Structural biology
30Materials & chemistry
15Astronomy
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Neural networks trained on molecule pairs predict light absorption in stacks of fifty
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Neural network models simulate how lead titanate loses its electrical polarisation on heating
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Neural network designs five hard metallic glasses, all confirmed by experiment
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Neural networks stand in for a slow model of interstellar gas clouds
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Machine learning assigns atomic charges to size up polarisation in bismuth vanadate conductors
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Testing whether symmetry-aware neural networks can tell apart atomic arrangements in perovskites
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Neural networks predict how zeolites take up carbon dioxide from structure alone
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Peptides designed by simulation and machine learning sit at condensate surfaces
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Thin molybdenum disulfide memory cells tested, with reinforcement learning fitting their circuit model
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Machine-learned potentials trained to simulate copper ion conductor Cu7PS6 faster
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Seven machine-learned water models test how density functional choice shapes water's behaviour
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Neural network potentials trained by repeatedly checking where models disagree on hydrogen sticking to copper
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Meta-learning lets a cosmology emulator adapt to new galaxy depth maps quickly
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Five codes measured galaxy shapes in simulated Euclid images, one using neural networks
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Machine-learned potential predicts how chromium sulfide layers rearrange during exfoliation
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Machine-learned potential makes long simulations of CO hydrogenation on rhodium affordable
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Neural network predicts nanostructure optics to design a two-colour laser collimator
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Language model trained on protein sequences predicts shape and stability of disordered proteins
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Machine-learned force field used to model two crystal forms of formamide
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Neural network stands in for slow spectral modelling to read 64 stars' chemistry
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Researchers train a machine-learned force model to simulate carbon nanotubes' strength and heat limits
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Pretrained potentials give a structure search a head start in finding atomic arrangements
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Neural networks swap places with black hole image simulations, both directions
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Neural network potential used to simulate how calcium oxide melts under pressure
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Neural networks replace a slow statistical fit to find solar oscillations in Hα images
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Simulations map three sodium–bismuth compounds, then models predict their heat-to-electricity performance
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Neural networks speed up forecasts of what gravitational wave detections LISA will catch
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Neural network potential used to simulate carbon dioxide moving inside porous frameworks
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Neural network predicts gas pressure in galaxy clusters from dark matter alone
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Neural network force field simulates how a ferroelectric crystal's molecules begin to spin
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Machine learning reads planet-forming disk masses from archival ALMA observations
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Neural network retrained to predict how crystals absorb light, from few examples
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A compact neural network learns to generate shape-shifting protein structures
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Neural networks turn simulated cluster mass maps into X-ray and SZ images
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Simulated water in graphene gaps shows acid's charge hugging the surface
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Neural network scores candidate composite microstructures in a strength–toughness design loop
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A single neural network stands in for quantum calculations across 45 elements
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Neural networks stand in for slow cosmology code in parameter fitting
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Machine-learnt stand-in for a planet model cuts interior inference from 42 hours to 8 minutes
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Genetic algorithm trims chemical reaction lists for hot Jupiter atmosphere models
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Neural networks stand in for slow galaxy clustering calculations in cosmology analyses
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Two neural networks predict how heat shrinks the band gap of silver-based crystals
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Machine-learnt electron densities drive molecular dynamics of a gold–saltwater interface
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Hubble and Webb images reveal a candidate massive touching binary star in WLM
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Neural network trained on quantum calculations maps how gallium melts and freezes
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Neural networks read infrared spectra to work out how CO sits on platinum
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Transformer model predicts how gas-storing crystals take up gases, replacing slow simulations
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