chainer_chemistry.links.EmbedAtomID¶
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class
chainer_chemistry.links.
EmbedAtomID
(out_size, in_size=117, initialW=None, ignore_label=None)[source]¶ Embeddning specialized to atoms.
This is a chain in the sense of Chainer that converts an atom, represented by a sequence of molecule IDs, to a sequence of embedding vectors of molecules. The operation is done in a minibatch manner, as most chains do.
The forward propagation of link consists of ID embedding, which converts the input x into vector embedding h where its shape represents (minibatch, atom, channel)
See also
chainer.links.EmbedID
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__init__
(out_size, in_size=117, initialW=None, ignore_label=None)[source]¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__
(out_size[, in_size, initialW, …])Initialize self. add_hook
(hook[, name])Registers a link hook. add_param
(name[, shape, dtype, initializer])Registers a parameter to the link. add_persistent
(name, value)Registers a persistent value to the link. addgrads
(link)Accumulates gradient values from given link. children
()Returns a generator of all child links. cleargrads
()Clears all gradient arrays. copy
([mode])Copies the link hierarchy to new one. copyparams
(link[, copy_persistent])Copies all parameters from given link. count_params
()Counts the total number of parameters. delete_hook
(name)Unregisters the link hook. disable_update
()Disables update rules of all parameters under the link hierarchy. enable_update
()Enables update rules of all parameters under the link hierarchy. forward
(x)Extracts the word embedding of given IDs. init_scope
()Creates an initialization scope. links
([skipself])Returns a generator of all links under the hierarchy. namedlinks
([skipself])Returns a generator of all (path, link) pairs under the hierarchy. namedparams
([include_uninit])Returns a generator of all (path, param) pairs under the hierarchy. params
([include_uninit])Returns a generator of all parameters under the link hierarchy. register_persistent
(name)Registers an attribute of a given name as a persistent value. repeat
(n_repeat[, mode])Repeats this link multiple times to make a Sequential
.serialize
(serializer)Serializes the link object. to_cpu
()Copies parameter variables and persistent values to CPU. to_gpu
([device])Copies parameter variables and persistent values to GPU. to_intel64
()Copies parameter variables and persistent values to CPU. zerograds
()Initializes all gradient arrays by zero. Attributes
ignore_label
local_link_hooks
Ordered dictionary of registered link hooks. update_enabled
True
if at least one parameter has an update rule enabled.within_init_scope
True if the current code is inside of an initialization scope. xp
Array module for this link. -