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By design, several functions have dispatches on multiple abstract types. Their docstrings are presented here for an overview, and then specific cases are duplicated in relevant sections below.
encode
decode
encodable_elements
output_shape
AbstractFeatureDescriptor
AbstractAtomFeatureDescriptor
AbstractPairFeatureDescriptor
get_value
encodable_elements(::AbstractFeatureDescriptor)
default_codec
encode(atoms, ::AbstractFeatureDescriptor)
decode(atoms, ::AbstractFeatureDescriptor)
The ElementFeature submodule includes a concrete implementation of an AbstractAtomFeatureDescriptor for the case of features whose values can be computed from a lookup table of elemental symbols. It also has some utility functions for defining default encoder settings.
ElementFeature.ElementFeatureDescriptor
ElementFeature.fea_minmax
ElementFeature.default_log
ElementFeature.default_categorical
ElementFeature.get_bins
ElementFeature.get_param_vec
To see the concrete implementations of interface functions such as get_value, encodable_elements, and default_codec on ElementFeatureDescriptor objects, take a look at the source code at src/features/elementfeature.jl.
The ElementFeature module also makes use of the Data module, which provides data to populate lookup tables for a variety of commonly-desired features. In particular, it provides the constants element_data_df which will be automatically used as the lookup table for an ElementFeatureDescriptor if none is provided, as well as elementfeature_info, a dictionary providing information about the available features included in element_data_df.
AbstractCodec
encode(val, ::AbstractCodec)
decode(val, ::AbstractCodec)
output_shape(::AbstractCodec)
The OneHotOneCold codec is a very common encoding scheme. For categorical-valued features, it encodes a bitstring with a length equal to the number of possible values composed of zeros except in the slot corresponding to the value in that instance. For continuous-valued features, a binning scheme must be specified, or defaults will be chosen using the utility functions shown below.
OneHotOneCold
DirectCodec
AbstractFeaturization
features
encodable_elements(::AbstractFeaturization)
encode(atoms, ::AbstractFeaturization)
decode(atoms, ::AbstractFeaturization)
FeaturizedAtoms
featurize
decode(::FeaturizedAtoms)