On-device research index

arXiv research

A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.

169,341 papers · 148 categories

Trend · papers per month

count % of corpus

3 results for “electronegativity”

Catalyst design using actively learned machine with non-ab initio input features towards CO2 reduction reactionscond-mat.mtrl-sci

New method uses machine learning to predict CO2 reduction catalysts without expensive ab initio calculations.

problem Predicting catalytic activity for CO2 reduction reactions using computationally expensive ab initio methods.

method Combining muffin-tin orbital theory descriptors with machine learning (ANN and KRR) for large-scale screening.

result Predicted CO adsorption energy with 0.05 eV mean absolute deviation, significantly improved over previous methods.

CO2 reduction catalyst design machine learning active learning electronegativity

2017-09-14abs ↗pdf ↗

Generative adversarial networks (GAN) based efficient sampling of chemical space for inverse design of inorganic materialscs.LG

MatGAN uses GAN to efficiently generate new inorganic materials.

problem Efficiently searching the vast chemical design space for new materials.

method Generative adversarial network (GAN) trained on ICSD materials database.

result 92.53% novelty and 84.5% chemically valid samples generated.

GAN materials design inverse design chemical space inorganic materials

2019-11-12abs ↗pdf ↗

Recreation of the Periodic Table with an Unsupervised Machine Learning Algorithmstat.ML

Machine learning recreates the periodic table from element properties.

problem Recreating the periodic table using machine learning.

method Unsupervised machine learning with GTM for feature embedding.

result PTG autonomously generates various periodic table layouts.

periodic table machine learning unsupervised generative topographic mapping chemical properties

2019-12-23abs ↗pdf ↗