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<body>
<main>
<article id="content">
<header>
<h1 class="title">Module <code>ktrain.graph</code></h1>
</header>
<section id="section-intro">
<details class="source">
<summary>
<span>Expand source code</span>
</summary>
<pre><code class="python">from .data import *
from .models import *
# from .predictor import *
__all__ = [
"graph_nodes_from_csv",
"graph_links_from_csv",
"print_node_classifiers",
"print_link_predictors",
"graph_node_classifier",
"graph_link_predictor",
]</code></pre>
</details>
</section>
<section>
<h2 class="section-title" id="header-submodules">Sub-modules</h2>
<dl>
<dt><code class="name"><a title="ktrain.graph.data" href="data.html">ktrain.graph.data</a></code></dt>
<dd>
<div class="desc"></div>
</dd>
<dt><code class="name"><a title="ktrain.graph.learner" href="learner.html">ktrain.graph.learner</a></code></dt>
<dd>
<div class="desc"></div>
</dd>
<dt><code class="name"><a title="ktrain.graph.models" href="models.html">ktrain.graph.models</a></code></dt>
<dd>
<div class="desc"></div>
</dd>
<dt><code class="name"><a title="ktrain.graph.predictor" href="predictor.html">ktrain.graph.predictor</a></code></dt>
<dd>
<div class="desc"></div>
</dd>
<dt><code class="name"><a title="ktrain.graph.preprocessor" href="preprocessor.html">ktrain.graph.preprocessor</a></code></dt>
<dd>
<div class="desc"></div>
</dd>
<dt><code class="name"><a title="ktrain.graph.sg_wrappers" href="sg_wrappers.html">ktrain.graph.sg_wrappers</a></code></dt>
<dd>
<div class="desc"></div>
</dd>
</dl>
</section>
<section>
</section>
<section>
<h2 class="section-title" id="header-functions">Functions</h2>
<dl>
<dt id="ktrain.graph.graph_link_predictor"><code class="name flex">
<span>def <span class="ident">graph_link_predictor</span></span>(<span>name, train_data, preproc, layer_sizes=[20, 20], verbose=1)</span>
</code></dt>
<dd>
<div class="desc"><pre><code>Build and return a neural link prediction model.
Args:
name (string): one of:
- 'graphsage' for GraphSAGE model
(only GraphSAGE currently supported)
train_data (LinkSequenceWrapper): a ktrain.graph.sg_wrappers.LinkSequenceWrapper object
preproc(LinkPreprocessor): a LinkPreprocessor instance
verbose (boolean): verbosity of output
Return:
model (Model): A Keras Model instance
</code></pre></div>
<details class="source">
<summary>
<span>Expand source code</span>
</summary>
<pre><code class="python">def graph_link_predictor(name, train_data, preproc, layer_sizes=[20, 20], verbose=1):
"""
```
Build and return a neural link prediction model.
Args:
name (string): one of:
- 'graphsage' for GraphSAGE model
(only GraphSAGE currently supported)
train_data (LinkSequenceWrapper): a ktrain.graph.sg_wrappers.LinkSequenceWrapper object
preproc(LinkPreprocessor): a LinkPreprocessor instance
verbose (boolean): verbosity of output
Return:
model (Model): A Keras Model instance
```
"""
from .sg_wrappers import LinkSequenceWrapper
# check argument
if not isinstance(train_data, LinkSequenceWrapper):
err = """
train_data must be a ktrain.graph.sg_wrappers.LinkSequenceWrapper object
"""
raise Exception(err)
if len(layer_sizes) != len(preproc.sample_sizes):
raise ValueError("number of layer_sizes must match len(preproc.sample_sizes)")
num_classes = U.nclasses_from_data(train_data)
# set loss and activations
loss_func = "categorical_crossentropy"
activation = "softmax"
# import stellargraph
try:
import stellargraph as sg
from stellargraph.layer import GraphSAGE, link_classification
except:
raise Exception(SG_ERRMSG)
if version.parse(sg.__version__) < version.parse("0.8"):
raise Exception(SG_ERRMSG)
# build a GraphSAGE link prediction model
graphsage = GraphSAGE(
layer_sizes=layer_sizes, generator=train_data, bias=True, dropout=0.3
)
x_inp, x_out = graphsage.build()
prediction = link_classification(
output_dim=1, output_act="relu", edge_embedding_method="ip"
)(x_out)
model = keras.Model(inputs=x_inp, outputs=prediction)
model.compile(
optimizer=U.DEFAULT_OPT, loss="binary_crossentropy", metrics=["accuracy"]
)
return model</code></pre>
</details>
</dd>
<dt id="ktrain.graph.graph_links_from_csv"><code class="name flex">
<span>def <span class="ident">graph_links_from_csv</span></span>(<span>nodes_filepath, links_filepath, sample_sizes=[10, 20], train_pct=0.1, val_pct=0.1, sep=',', holdout_pct=None, holdout_for_inductive=False, missing_label_value=None, random_state=None, verbose=1)</span>
</code></dt>
<dd>
<div class="desc"><pre><code>Loads graph data from CSV files.
Returns generators for links in graph for use with GraphSAGE model.
Args:
nodes_filepath(str): file path to training CSV containing node attributes
links_filepath(str): file path to training CSV describing links among nodes
sample_sizes(int): Number of nodes to sample at each neighborhood level.
train_pct(float): Proportion of edges to use for training.
Default is 0.1.
Note that train_pct is applied after val_pct is applied.
val_pct(float): Proportion of edges to use for validation
sep (str): delimiter for CSVs. Default is comma.
random_state (int): random seed for train/test split
verbose (boolean): verbosity
Return:
tuple of EdgeSequenceWrapper objects for train and validation sets and LinkPreprocessor
</code></pre></div>
<details class="source">
<summary>
<span>Expand source code</span>
</summary>
<pre><code class="python">def graph_links_from_csv(
nodes_filepath,
links_filepath,
sample_sizes=[10, 20],
train_pct=0.1,
val_pct=0.1,
sep=",",
holdout_pct=None,
holdout_for_inductive=False,
missing_label_value=None,
random_state=None,
verbose=1,
):
"""
```
Loads graph data from CSV files.
Returns generators for links in graph for use with GraphSAGE model.
Args:
nodes_filepath(str): file path to training CSV containing node attributes
links_filepath(str): file path to training CSV describing links among nodes
sample_sizes(int): Number of nodes to sample at each neighborhood level.
train_pct(float): Proportion of edges to use for training.
Default is 0.1.
Note that train_pct is applied after val_pct is applied.
val_pct(float): Proportion of edges to use for validation
sep (str): delimiter for CSVs. Default is comma.
random_state (int): random seed for train/test split
verbose (boolean): verbosity
Return:
tuple of EdgeSequenceWrapper objects for train and validation sets and LinkPreprocessor
```
"""
try:
import networkx as nx
except ImportError:
raise ImportError("Please install networkx: pip install networkx")
# import stellargraph
try:
import stellargraph as sg
from stellargraph.data import EdgeSplitter
except:
raise Exception(SG_ERRMSG)
if version.parse(sg.__version__) < version.parse("0.8"):
raise Exception(SG_ERRMSG)
# ----------------------------------------------------------------
# read graph structure
# ----------------------------------------------------------------
nx_sep = None if sep in [" ", "\t"] else sep
G = nx.read_edgelist(path=links_filepath, delimiter=nx_sep)
print(nx.info(G))
# ----------------------------------------------------------------
# read node attributes
# ----------------------------------------------------------------
node_attr = pd.read_csv(nodes_filepath, sep=sep, header=None)
num_features = (
len(node_attr.columns.values) - 1
) # subract ID and treat all other columns as features
feature_names = ["w_{}".format(ii) for ii in range(num_features)]
node_data = pd.read_csv(nodes_filepath, header=None, names=feature_names, sep=sep)
node_data.index = node_data.index.map(str)
df = node_data[node_data.index.isin(list(G.nodes()))]
for col in feature_names:
if not isinstance(node_data[col].values[0], str):
continue
df = pd.concat(
[df, df[col].astype("str").str.get_dummies().add_prefix(col + "_")],
axis=1,
sort=False,
)
df = df.drop([col], axis=1)
feature_names = df.columns.values
node_data = df
node_features = node_data[feature_names].values
for nid, f in zip(node_data.index, node_features):
G.node[nid][sg.globalvar.TYPE_ATTR_NAME] = "node"
G.node[nid]["feature"] = f
# ----------------------------------------------------------------
# train/validation sets
# ----------------------------------------------------------------
edge_splitter_test = EdgeSplitter(G)
G_test, edge_ids_test, edge_labels_test = edge_splitter_test.train_test_split(
p=val_pct, method="global", keep_connected=True
)
edge_splitter_train = EdgeSplitter(G_test)
G_train, edge_ids_train, edge_labels_train = edge_splitter_train.train_test_split(
p=train_pct, method="global", keep_connected=True
)
epp = LinkPreprocessor(G, sample_sizes=sample_sizes)
trn = epp.preprocess_train(G_train, edge_ids_train, edge_labels_train)
val = epp.preprocess_valid(G_test, edge_ids_test, edge_labels_test)
return (trn, val, epp)</code></pre>
</details>
</dd>
<dt id="ktrain.graph.graph_node_classifier"><code class="name flex">
<span>def <span class="ident">graph_node_classifier</span></span>(<span>name, train_data, layer_sizes=[32, 32], verbose=1)</span>
</code></dt>
<dd>
<div class="desc"><pre><code>Build and return a neural node classification model.
Notes: Only mutually-exclusive class labels are supported.
Args:
name (string): one of:
- 'graphsage' for GraphSAGE model
(only GraphSAGE currently supported)
train_data (NodeSequenceWrapper): a ktrain.graph.sg_wrappers.NodeSequenceWrapper object
verbose (boolean): verbosity of output
Return:
model (Model): A Keras Model instance
</code></pre></div>
<details class="source">
<summary>
<span>Expand source code</span>
</summary>
<pre><code class="python">def graph_node_classifier(name, train_data, layer_sizes=[32, 32], verbose=1):
"""
```
Build and return a neural node classification model.
Notes: Only mutually-exclusive class labels are supported.
Args:
name (string): one of:
- 'graphsage' for GraphSAGE model
(only GraphSAGE currently supported)
train_data (NodeSequenceWrapper): a ktrain.graph.sg_wrappers.NodeSequenceWrapper object
verbose (boolean): verbosity of output
Return:
model (Model): A Keras Model instance
```
"""
from .sg_wrappers import NodeSequenceWrapper
# check argument
if not isinstance(train_data, NodeSequenceWrapper):
err = """
train_data must be a ktrain.graph.sg_wrappers.NodeSequenceWrapper object
"""
raise Exception(err)
if len(layer_sizes) != 2:
raise ValueError("layer_sizes must be of length 2")
num_classes = U.nclasses_from_data(train_data)
# determine multilabel
multilabel = U.is_multilabel(train_data)
if multilabel:
raise ValueError(
"Multi-label classification not currently supported for graphs."
)
U.vprint("Is Multi-Label? %s" % (multilabel), verbose=verbose)
# set loss and activations
loss_func = "categorical_crossentropy"
activation = "softmax"
# import stellargraph
try:
import stellargraph as sg
from stellargraph.layer import GraphSAGE
except:
raise Exception(SG_ERRMSG)
if version.parse(sg.__version__) < version.parse("0.8"):
raise Exception(SG_ERRMSG)
# build a GraphSAGE node classification model
graphsage_model = GraphSAGE(
layer_sizes=layer_sizes,
generator=train_data,
bias=True,
dropout=0.5,
)
# x_inp, x_out = graphsage_model.default_model(flatten_output=True)
x_inp, x_out = graphsage_model.build()
prediction = keras.layers.Dense(units=num_classes, activation=activation)(x_out)
model = keras.Model(inputs=x_inp, outputs=prediction)
model.compile(optimizer="adam", loss=loss_func, metrics=["accuracy"])
U.vprint("done", verbose=verbose)
return model</code></pre>
</details>
</dd>
<dt id="ktrain.graph.graph_nodes_from_csv"><code class="name flex">
<span>def <span class="ident">graph_nodes_from_csv</span></span>(<span>nodes_filepath, links_filepath, use_lcc=True, sample_size=10, train_pct=0.1, sep=',', holdout_pct=None, holdout_for_inductive=False, missing_label_value=None, random_state=None, verbose=1)</span>
</code></dt>
<dd>
<div class="desc"><pre><code>Loads graph data from CSV files.
Returns generators for nodes in graph for use with GraphSAGE model.
Args:
nodes_filepath(str): file path to training CSV containing node attributes
links_filepath(str): file path to training CSV describing links among nodes
use_lcc(bool): If True, consider the largest connected component only.
sample_size(int): Number of nodes to sample at each neighborhood level
train_pct(float): Proportion of nodes to use for training.
Default is 0.1.
sep (str): delimiter for CSVs. Default is comma.
holdout_pct(float): Percentage of nodes to remove and return separately
for later transductive/inductive inference.
Example --> train_pct=0.1 and holdout_pct=0.2:
Out of 1000 nodes, 200 (holdout_pct*1000) will be held out.
Of the remaining 800, 80 (train_pct*800) will be used for training
and 720 ((1-train_pct)*800) will be used for validation.
200 nodes will be used for transductive or inductive inference.
Note that holdout_pct is ignored if at least one node has
a missing label in nodes_filepath, in which case
these nodes are assumed to be the holdout set.
holdout_for_inductive(bool): If True, the holdout nodes will be removed from
training graph and their features will not be visible
during training. Only features of training and
validation nodes will be visible.
If False, holdout nodes will be included in graph
and their features (but not labels) are accessible
during training.
random_state (int): random seed for train/test split
verbose (boolean): verbosity
Return:
tuple of NodeSequenceWrapper objects for train and validation sets and NodePreprocessor
If holdout_pct is not None or number of nodes with missing labels is non-zero,
fourth and fifth return values are pd.DataFrame and nx.Graph
comprising the held out nodes.
</code></pre></div>
<details class="source">
<summary>
<span>Expand source code</span>
</summary>
<pre><code class="python">def graph_nodes_from_csv(
nodes_filepath,
links_filepath,
use_lcc=True,
sample_size=10,
train_pct=0.1,
sep=",",
holdout_pct=None,
holdout_for_inductive=False,
missing_label_value=None,
random_state=None,
verbose=1,
):
"""
```
Loads graph data from CSV files.
Returns generators for nodes in graph for use with GraphSAGE model.
Args:
nodes_filepath(str): file path to training CSV containing node attributes
links_filepath(str): file path to training CSV describing links among nodes
use_lcc(bool): If True, consider the largest connected component only.
sample_size(int): Number of nodes to sample at each neighborhood level
train_pct(float): Proportion of nodes to use for training.
Default is 0.1.
sep (str): delimiter for CSVs. Default is comma.
holdout_pct(float): Percentage of nodes to remove and return separately
for later transductive/inductive inference.
Example --> train_pct=0.1 and holdout_pct=0.2:
Out of 1000 nodes, 200 (holdout_pct*1000) will be held out.
Of the remaining 800, 80 (train_pct*800) will be used for training
and 720 ((1-train_pct)*800) will be used for validation.
200 nodes will be used for transductive or inductive inference.
Note that holdout_pct is ignored if at least one node has
a missing label in nodes_filepath, in which case
these nodes are assumed to be the holdout set.
holdout_for_inductive(bool): If True, the holdout nodes will be removed from
training graph and their features will not be visible
during training. Only features of training and
validation nodes will be visible.
If False, holdout nodes will be included in graph
and their features (but not labels) are accessible
during training.
random_state (int): random seed for train/test split
verbose (boolean): verbosity
Return:
tuple of NodeSequenceWrapper objects for train and validation sets and NodePreprocessor
If holdout_pct is not None or number of nodes with missing labels is non-zero,
fourth and fifth return values are pd.DataFrame and nx.Graph
comprising the held out nodes.
```
"""
# ----------------------------------------------------------------
# read graph structure
# ----------------------------------------------------------------
try:
import networkx as nx
except ImportError:
raise ImportError("Please install networkx: pip install networkx")
nx_sep = None if sep in [" ", "\t"] else sep
g_nx = nx.read_edgelist(path=links_filepath, delimiter=nx_sep)
# read node attributes
# node_attr = pd.read_csv(nodes_filepath, sep=sep, header=None)
# store class labels within graph nodes
# values = { str(row.tolist()[0]): row.tolist()[-1] for _, row in node_attr.iterrows()}
# nx.set_node_attributes(g_nx, values, 'target')
# select largest connected component
if use_lcc:
g_nx_ccs = (g_nx.subgraph(c).copy() for c in nx.connected_components(g_nx))
g_nx = max(g_nx_ccs, key=len)
if verbose:
print(
"Largest subgraph statistics: {} nodes, {} edges".format(
g_nx.number_of_nodes(), g_nx.number_of_edges()
)
)
# ----------------------------------------------------------------
# read node attributes and split into train/validation
# ----------------------------------------------------------------
node_attr = pd.read_csv(nodes_filepath, sep=sep, header=None)
num_features = len(node_attr.columns.values) - 2 # subract ID and target
feature_names = ["w_{}".format(ii) for ii in range(num_features)]
column_names = feature_names + ["target"]
node_data = pd.read_csv(nodes_filepath, header=None, names=column_names, sep=sep)
node_data.index = node_data.index.map(str)
node_data = node_data[node_data.index.isin(list(g_nx.nodes()))]
# ----------------------------------------------------------------
# check for holdout nodes
# ----------------------------------------------------------------
num_null = node_data[node_data.target.isnull()].shape[0]
num_missing = 0
if missing_label_value is not None:
num_missing = node_data[node_data.target == missing_label_value].shape[0]
if num_missing > 0 and num_null > 0:
raise ValueError(
"Param missing_label_value is not None but there are "
+ "NULLs in last column. Replace these with missing_label_value."
)
if (num_null > 0 or num_missing > 0) and holdout_pct is not None:
warnings.warn(
"Number of nodes in having NULL or missing_label_value in target "
+ "column is non-zero. Using these as holdout nodes and ignoring holdout_pct."
)
# ----------------------------------------------------------------
# set df and G and optionally holdout nodes
# ----------------------------------------------------------------
if num_null > 0:
df_annotated = node_data[~node_data.target.isnull()]
df_holdout = node_data[~node_data.target.isnull()]
G_holdout = g_nx
df_G = df_annotated if holdout_for_inductive else node_data
G = g_nx.subgraph(df_annotated.index).copy() if holdout_for_inductive else g_nx
U.vprint(
"using %s nodes with target=NULL as holdout set" % (num_null),
verbose=verbose,
)
elif num_missing > 0:
df_annotated = node_data[node_data.target != missing_label_value]
df_holdout = node_data[node_data.target == missing_label_value]
G_holdout = g_nx
df_G = df_annotated if holdout_for_inductive else node_data
G = g_nx.subgraph(df_annotated.index).copy() if holdout_for_inductive else g_nx
U.vprint(
"using %s nodes with missing target as holdout set" % (num_missing),
verbose=verbose,
)
elif holdout_pct is not None:
df_annotated = node_data.sample(
frac=1 - holdout_pct, replace=False, random_state=None
)
df_holdout = node_data[~node_data.index.isin(df_annotated.index)]
G_holdout = g_nx
df_G = df_annotated if holdout_for_inductive else node_data
G = g_nx.subgraph(df_annotated.index).copy() if holdout_for_inductive else g_nx
else:
if holdout_for_inductive:
warnings.warn(
"holdout_for_inductive is True but no nodes were heldout "
"because holdout_pct is None and no missing targets"
)
df_annotated = node_data
df_holdout = None
G_holdout = None
df_G = node_data
G = g_nx
# ----------------------------------------------------------------
# split into train and validation
# ----------------------------------------------------------------
tr_data, te_data = sklearn.model_selection.train_test_split(
df_annotated,
train_size=train_pct,
test_size=None,
stratify=df_annotated["target"],
random_state=random_state,
)
# te_data, test_data = sklearn.model_selection.train_test_split(test_data,
# train_size=0.2,
# test_size=None,
# stratify=test_data["target"],
# random_state=100)
# ----------------------------------------------------------------
# print summary
# ----------------------------------------------------------------
if verbose:
print("Size of training graph: %s nodes" % (G.number_of_nodes()))
print("Training nodes: %s" % (tr_data.shape[0]))
print("Validation nodes: %s" % (te_data.shape[0]))
if df_holdout is not None and G_holdout is not None:
print(
"Nodes treated as unlabeled for testing/inference: %s"
% (df_holdout.shape[0])
)
if holdout_for_inductive:
print(
"Size of graph with added holdout nodes: %s"
% (G_holdout.number_of_nodes())
)
print(
"Holdout node features are not visible during training (inductive inference)"
)
else:
print(
"Holdout node features are visible during training (transductive inference)"
)
print()
# ----------------------------------------------------------------
# Preprocess training and validation datasets using NodePreprocessor
# ----------------------------------------------------------------
preproc = NodePreprocessor(
G, df_G, sample_size=sample_size, missing_label_value=missing_label_value
)
trn = preproc.preprocess_train(list(tr_data.index))
val = preproc.preprocess_valid(list(te_data.index))
if df_holdout is not None and G_holdout is not None:
return (trn, val, preproc, df_holdout, G_holdout)
else:
return (trn, val, preproc)</code></pre>
</details>
</dd>
<dt id="ktrain.graph.print_link_predictors"><code class="name flex">
<span>def <span class="ident">print_link_predictors</span></span>(<span>)</span>
</code></dt>
<dd>
<div class="desc"></div>
<details class="source">
<summary>
<span>Expand source code</span>
</summary>
<pre><code class="python">def print_link_predictors():
for k, v in LINK_PREDICTORS.items():
print("%s: %s" % (k, v))</code></pre>
</details>
</dd>
<dt id="ktrain.graph.print_node_classifiers"><code class="name flex">
<span>def <span class="ident">print_node_classifiers</span></span>(<span>)</span>
</code></dt>
<dd>
<div class="desc"></div>
<details class="source">
<summary>
<span>Expand source code</span>
</summary>
<pre><code class="python">def print_node_classifiers():
for k, v in NODE_CLASSIFIERS.items():
print("%s: %s" % (k, v))</code></pre>
</details>
</dd>
</dl>
</section>
<section>
</section>
</article>
<nav id="sidebar">
<h1>Index</h1>
<div class="toc">
<ul></ul>
</div>
<ul id="index">
<li><h3>Super-module</h3>
<ul>
<li><code><a title="ktrain" href="../index.html">ktrain</a></code></li>
</ul>
</li>
<li><h3><a href="#header-submodules">Sub-modules</a></h3>
<ul>
<li><code><a title="ktrain.graph.data" href="data.html">ktrain.graph.data</a></code></li>
<li><code><a title="ktrain.graph.learner" href="learner.html">ktrain.graph.learner</a></code></li>
<li><code><a title="ktrain.graph.models" href="models.html">ktrain.graph.models</a></code></li>
<li><code><a title="ktrain.graph.predictor" href="predictor.html">ktrain.graph.predictor</a></code></li>
<li><code><a title="ktrain.graph.preprocessor" href="preprocessor.html">ktrain.graph.preprocessor</a></code></li>
<li><code><a title="ktrain.graph.sg_wrappers" href="sg_wrappers.html">ktrain.graph.sg_wrappers</a></code></li>
</ul>
</li>
<li><h3><a href="#header-functions">Functions</a></h3>
<ul class="">
<li><code><a title="ktrain.graph.graph_link_predictor" href="#ktrain.graph.graph_link_predictor">graph_link_predictor</a></code></li>
<li><code><a title="ktrain.graph.graph_links_from_csv" href="#ktrain.graph.graph_links_from_csv">graph_links_from_csv</a></code></li>
<li><code><a title="ktrain.graph.graph_node_classifier" href="#ktrain.graph.graph_node_classifier">graph_node_classifier</a></code></li>
<li><code><a title="ktrain.graph.graph_nodes_from_csv" href="#ktrain.graph.graph_nodes_from_csv">graph_nodes_from_csv</a></code></li>
<li><code><a title="ktrain.graph.print_link_predictors" href="#ktrain.graph.print_link_predictors">print_link_predictors</a></code></li>
<li><code><a title="ktrain.graph.print_node_classifiers" href="#ktrain.graph.print_node_classifiers">print_node_classifiers</a></code></li>
</ul>
</li>
</ul>
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