Search Results for "chemical"

...Using GNoME, DeepMind identified 381,000 new stable materials, later expanding the dataset to include over 520,000 materials within 1 meV/atom of the convex hull as of August 2024. The repository provides datasets, model definitions, and interactive Colabs for exploring these materials, computing decomposition energies, and visualizing chemical families. Additionally, it includes JAX-based implementations of GNoME and Nequip—the latter being used to train interatomic potentials for dynamic simulations.

At present, surface defect equipment based on machine vision has widely replaced artificial visual inspection in various industrial fields, including 3C, automobiles, home appliances, machinery manufacturing, semiconductors and electronics, chemical, pharmaceutical, aerospace, light industry and other industries. Traditional surface defect detection methods based on machine vision often use conventional image processing algorithms or artificially designed features plus classifiers. Generally speaking, imaging schemes are usually designed by using the different properties of the inspected surface or defects. ...

...The algorithms included in TreeLiker are unique in that, in principle, they are able to search given sets of relational patterns exhaustively, thus guaranteeing that if some good pattern capturing an important feature of the problem exists, it will be found. In experiments with real-life data, the algorithms were shown to be able to construct complete non-redundant sets of patterns for chemical datasets involving several thousands of molecules as well as for comparably large datasets from genomics or proteomics. The included relational learning algorithms are tailored towards so-called tree-like features for which some otherwise very hard sub-problems (NP-hard) become tractable.