From 13f9ac58212bed05307ff065d8638d5f7a25d63e Mon Sep 17 00:00:00 2001
From: mguetlein <martin.guetlein@gmail.com>
Date: Fri, 31 Oct 2014 15:50:24 +0100
Subject: add new binning plot for accuracy-confidence plot (this is to
 visualize how the probability for correct predictions can be computed)

---
 report/plot_binning.rb | 133 +++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 133 insertions(+)
 create mode 100644 report/plot_binning.rb

diff --git a/report/plot_binning.rb b/report/plot_binning.rb
new file mode 100644
index 0000000..4d4a143
--- /dev/null
+++ b/report/plot_binning.rb
@@ -0,0 +1,133 @@
+# #!/usr/bin/env ruby
+#require "./config.rb"
+#require "bundler"
+#Bundler.require
+#d = YAML.load(OpenTox::RestClientWapper.get("http://localhost:8087/validation/crossvalidation/64/prediction_data"))
+
+class Prediction
+  attr_accessor :conf, :act, :pred
+end
+
+class Array
+  def accuracy
+    correct = 0
+    self.size.times do |i|
+      correct += 1 if self[i].pred==self[i].act
+    end
+    return correct/self.size.to_f
+  end
+end
+
+class Float
+  def round3
+    (self*1000.0).round/1000.0
+  end
+end
+
+module Reports
+  
+  module PlotBinning
+    
+    private
+    MIN_NUM_COMPOUNDS_PER_BIN = 12
+    MAX_NUM_BINS = 10
+
+    def self.predictions(conf_vals, pred_vals, act_vals)
+      predictions = []
+      conf_vals.size.times.each do |i|
+        p = Prediction.new
+        p.conf = conf_vals[i]
+        p.pred = pred_vals[i]
+        p.act = act_vals[i]
+        predictions << p if p.conf!=nil and p.pred!=nil and p.act!=nil
+      end
+      predictions
+    end
+
+    def self.equal_frequency_binning(predicitons)
+      #TODO fix binning
+      #last bin may be too small
+      #eqal confidence values may screw things up
+      num = [MIN_NUM_COMPOUNDS_PER_BIN,predictions.length/MAX_NUM_BINS].max
+      split = []
+      tmp = []
+      predictions.each_with_index do |p,i|
+        if tmp.length>=num and tmp[-1].conf!=p.conf
+          split << tmp
+          tmp = []
+        end
+        tmp << p
+      end
+      split << tmp
+      $logger.debug "#{split.size}: #{split.collect{|e| e.size}}"
+      split
+    end
+
+    def self.equal_width_binning(predictions)
+      min_split_size = nil
+      num_splits = MAX_NUM_BINS
+      max_conf = predictions.first.conf
+      min_conf = predictions.last.conf
+      delta_conf = max_conf-min_conf
+      
+      while min_split_size==nil || min_split_size<MIN_NUM_COMPOUNDS_PER_BIN
+        
+        $logger.debug "#{split.size}: #{split.collect{|e| e.size}}" if defined?(split) and split
+        preds = predictions
+        step = (max_conf-min_conf)/num_splits.to_f
+        min_split_size = nil
+        split = []
+        num_splits.times do |i|
+          tmp = []
+          preds.each do |p|
+            tmp << p if p.conf>=max_conf-step*(i+1)
+          end
+          preds -= tmp
+          min_split_size=tmp.size if min_split_size==nil or tmp.size<min_split_size
+          split << tmp
+        end
+        raise "#{preds.size} #{preds}" unless preds.size==0
+        
+        num_splits -= 1
+      end
+      $logger.debug "#{split.size}: #{split.collect{|e| e.size}}"
+      split
+    end
+
+    def self.split_to_bins(split)
+      bins = []
+      split.size.times do |i|
+        bins << [ (i==0 ? split[i].first.conf.round3 : ((split[i-1].last.conf+split[i].first.conf)/2).round3),
+                  (i==split.size-1 ? split[i].last.conf.round3 : ((split[i].last.conf+split[i+1].first.conf)/2).round3),
+                  split[i].accuracy.round3 ]
+      end
+      bins
+    end
+
+    public
+    def self.plot( conf_vals, pred_vals, act_vals )
+      preds = predictions(conf_vals, pred_vals, act_vals)
+      split = equal_width_binning(preds)
+      bins = split_to_bins(split)
+      title = "Equal+width+binning"
+      $logger.debug bins.inspect
+      File.join($validation[:uri],"binplot/#{bins.collect{|bin| bin.join(",")}.join(";")}?title=#{title}&xlab=confidence&ylab=accuracy")
+    end
+
+    def self.demo
+      unless defined?($logger)
+        require "logger"
+        $logger = Logger.new(STDOUT)
+      end
+      $validation = {:uri => "http://localhost:8087/validation"} unless $validation
+      confidence_values = [ 0.6624125079426938, 0.6557249417249419, 0.644986726236726, 0.6063058457707288, 0.5953180153180153, 0.5938923422256757, 0.5902730212930881, 0.5878446553446554, 0.5726630326195544, 0.570767093745035, 0.570767093745035, 0.5687276491624317, 0.5607772946008241, 0.5587703350570997, 0.5555555555555555, 0.5429030444603734, 0.5424604381126121, 0.5410762032085562, 0.5295781902373767, 0.5268088994718326, 0.5045040743570155, 0.502212185697837, 0.5, 0.4800000000000001, 0.45748788248788247, 0.44985470725855337, 0.4450265643447462, 0.4303489858095122, 0.4241671534924129, 0.4172702297702297, 0.4133333333333333, 0.4, 0.375, 0.36765717942188536, 0.3611111111111111, 0.35564143458880304, 0.34989367357788415, 0.3390269151138717, 0.33746495050842873, 0.33701194638694637, 0.3333333333333333, 0.3333333333333333, 0.3330026455026455, 0.3259307359307359, 0.3249608051869459, 0.3165650536247021, 0.3157291149078215, 0.3156934568699275, 0.2962364033397402, 0.2909536337845161, 0.2807823129251701, 0.2569325177872053, 0.2548106212763212, 0.25364933434501535, 0.2523809523809524, 0.24373406774354797, 0.22782241912676693, 0.2027758130504126, 0.1934155112173688, 0.18392695429862332, 0.16695652173913045, 0.1430643962390448, 0.14084600861095425, 0.06619047619047619, 0.06531746031746032, 0.05716999050332382, 0.045232988309847594, 0.005059523809523819, 0.0025123685837971483, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ]
+      predicted_values = [ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 1, 1, 1, 0, 0, 0, 0, 1, 1, 1, 0, 1, 1, 0, 0, 1, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 1, 1, 0, 0, nil, nil, nil, nil, nil, nil, nil, nil, nil, nil, nil, nil, nil, nil, nil, nil ]
+      actual_values = [ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 1, 0, 1, 1, 1, 0, 1, 1, 0, 1, 1, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 1, 1, 0, 1 ]
+      puts plot(confidence_values, predicted_values, actual_values )
+    end
+
+  end
+end
+
+
+
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