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SimpleSVM.h
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1// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2// SPDX-License-Identifier: BSD-3-Clause
3//
4// --------------------------------------------------------------------------
5// $Maintainer: Hendrik Weisser $
6// $Authors: Hendrik Weisser $
7// --------------------------------------------------------------------------
8
9#pragma once
10
12
13// Remove libSVM header include
14// #include <svm.h>
15
16#include <map>
17#include <vector>
18#include <utility> // for "pair"
19#include <tuple>
20#include <memory> // for std::unique_ptr
21
22namespace OpenMS
23{
51 class OPENMS_DLLAPI SimpleSVM :
53 {
54
55 public:
57 typedef std::map<String, std::vector<double> > PredictorMap;
58
60 typedef std::map<String, std::pair<double, double> > ScaleMap;
61
64 {
66 double outcome;
67
69 std::map<double, double> probabilities;
70 };
71
74
76 ~SimpleSVM() override;
77
78 // Prevent copy and assignment
79 SimpleSVM(const SimpleSVM&) = delete;
80 SimpleSVM& operator=(const SimpleSVM&) = delete;
81
93 void setup(PredictorMap& predictors, const std::map<Size, double>& outcomes, bool classification = true);
94
104 void predict(std::vector<Prediction>& predictions,
105 std::vector<Size> indexes = std::vector<Size>()) const;
106
107
117 void predict(PredictorMap& predictors, std::vector<Prediction>& predictions) const;
118
127 void getFeatureWeights(std::map<String, double>& feature_weights) const;
128
130 void writeXvalResults(const String& path) const;
131
133 const ScaleMap& getScaling() const;
134
135 protected:
136 // Forward declaration of implementation class
137 class Impl;
138
139 // Pointer to implementation (Pimpl pattern)
140 std::unique_ptr<Impl> pimpl_;
141 };
142}
A base class for all classes handling default parameters.
Definition DefaultParamHandler.h:66
Simple interface to support vector machines for classification and regression (via LIBSVM).
Definition SimpleSVM.h:53
~SimpleSVM() override
Destructor.
SimpleSVM & operator=(const SimpleSVM &)=delete
void predict(PredictorMap &predictors, std::vector< Prediction > &predictions) const
Predict class labels or regression values (and probabilities).
std::map< double, double > probabilities
Class label (or regression value) and their predicted probabilities.
Definition SimpleSVM.h:69
void predict(std::vector< Prediction > &predictions, std::vector< Size > indexes=std::vector< Size >()) const
Predict class labels or regression values (and probabilities).
std::unique_ptr< Impl > pimpl_
Definition SimpleSVM.h:140
void writeXvalResults(const String &path) const
Write cross-validation (parameter optimization) results to a CSV file.
std::map< String, std::vector< double > > PredictorMap
Mapping from predictor name to vector of predictor values.
Definition SimpleSVM.h:57
double outcome
Predicted class label (or regression value)
Definition SimpleSVM.h:66
const ScaleMap & getScaling() const
Get data range of predictors before scaling to [0, 1].
SimpleSVM()
Default constructor.
SimpleSVM(const SimpleSVM &)=delete
std::map< String, std::pair< double, double > > ScaleMap
Mapping from predictor name to predictor min and max.
Definition SimpleSVM.h:60
void setup(PredictorMap &predictors, const std::map< Size, double > &outcomes, bool classification=true)
Load data and train a model.
void getFeatureWeights(std::map< String, double > &feature_weights) const
Get the weights used for features (predictors) in the SVM model.
SVM/SVR prediction result.
Definition SimpleSVM.h:64
A more convenient string class.
Definition String.h:34
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19