1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
|
module OpenTox
class Validation
field :model_id, type: BSON::ObjectId
field :prediction_dataset_id, type: BSON::ObjectId
field :crossvalidation_id, type: BSON::ObjectId
field :test_dataset_id, type: BSON::ObjectId
field :nr_instances, type: Integer
field :nr_unpredicted, type: Integer
field :predictions, type: Array
def prediction_dataset
Dataset.find prediction_dataset_id
end
def test_dataset
Dataset.find test_dataset_id
end
def model
Model::Lazar.find model_id
end
def self.create model, training_set, test_set, crossvalidation=nil
atts = model.attributes.dup # do not modify attributes from original model
atts["_id"] = BSON::ObjectId.new
atts[:training_dataset_id] = training_set.id
validation_model = model.class.create training_set, atts
validation_model.save
test_set_without_activities = Dataset.new(:compound_ids => test_set.compound_ids) # just to be sure that activities cannot be used
prediction_dataset = validation_model.predict test_set_without_activities
predictions = []
nr_unpredicted = 0
activities = test_set.data_entries.collect{|de| de.first}
prediction_dataset.data_entries.each_with_index do |de,i|
if de[0] and de[1] and de[1].numeric?
activity = activities[i]
prediction = de.first
confidence = de[1]
predictions << [prediction_dataset.compound_ids[i], activity, prediction, de[1]]
else
nr_unpredicted += 1
end
end
validation = self.new(
:model_id => validation_model.id,
:prediction_dataset_id => prediction_dataset.id,
:test_dataset_id => test_set.id,
:nr_instances => test_set.compound_ids.size,
:nr_unpredicted => nr_unpredicted,
:predictions => predictions#.sort{|a,b| p a; b[3] <=> a[3]} # sort according to confidence
)
validation.crossvalidation_id = crossvalidation.id if crossvalidation
validation.save
validation
end
end
class ClassificationValidation < Validation
end
class RegressionValidation < Validation
end
end
|